MyArxiv
Computation and Language 129
LLM Post-Training: A Deep Dive into Reasoning Large Language Models
Large Language Models (LLMs) have transformed the natural language processing landscape and brought to life diverse applications. Pretraining on vast web-scale data has laid the foundation for these models, yet the research community is now increasingly shifting focus toward post-training techniques to achieve further breakthroughs. While pretraining provides a broad linguistic foundation, post-training methods enable LLMs to refine their knowledge, improve reasoning, enhance factual accuracy, and align more effectively with user intents and ethical considerations. Fine-tuning, reinforcement learning, and test-time scaling have emerged as critical strategies for optimizing LLMs performance, ensuring robustness, and improving adaptability across various real-world tasks. This survey provides a systematic exploration of post-training methodologies, analyzing their role in refining LLMs beyond pretraining, addressing key challenges such as catastrophic forgetting, reward hacking, and inference-time trade-offs. We highlight emerging directions in model alignment, scalable adaptation, and inference-time reasoning, and outline future research directions. We also provide a public repository to continually track developments in this fast-evolving field: https://github.com/mbzuai-oryx/Awesome-LLM-Post-training.
comment: 31 pages, 7 figures, 3 tables, 375 references
☆ Identifying Emerging Concepts in Large Corpora
We introduce a new method to identify emerging concepts in large text corpora. By analyzing changes in the heatmaps of the underlying embedding space, we are able to detect these concepts with high accuracy shortly after they originate, in turn outperforming common alternatives. We further demonstrate the utility of our approach by analyzing speeches in the U.S. Senate from 1941 to 2015. Our results suggest that the minority party is more active in introducing new concepts into the Senate discourse. We also identify specific concepts that closely correlate with the Senators' racial, ethnic, and gender identities. An implementation of our method is publicly available.
comment: 9 pages, 4 figures
☆ FANformer: Improving Large Language Models Through Effective Periodicity Modeling
Periodicity, as one of the most important basic characteristics, lays the foundation for facilitating structured knowledge acquisition and systematic cognitive processes within human learning paradigms. However, the potential flaws of periodicity modeling in Transformer affect the learning efficiency and establishment of underlying principles from data for large language models (LLMs) built upon it. In this paper, we demonstrate that integrating effective periodicity modeling can improve the learning efficiency and performance of LLMs. We introduce FANformer, which integrates Fourier Analysis Network (FAN) into attention mechanism to achieve efficient periodicity modeling, by modifying the feature projection process of attention mechanism. Extensive experimental results on language modeling show that FANformer consistently outperforms Transformer when scaling up model size and training tokens, underscoring its superior learning efficiency. To further validate the effectiveness of FANformer, we pretrain a FANformer-1B on 1 trillion tokens. FANformer-1B exhibits marked improvements on downstream tasks compared to open-source LLMs with similar model parameters or training tokens. The results position FANformer as an effective and promising architecture for advancing LLMs.
☆ Persuasion Should be Double-Blind: A Multi-Domain Dialogue Dataset With Faithfulness Based on Causal Theory of Mind
Persuasive dialogue plays a pivotal role in human communication, influencing various domains. Recent persuasive dialogue datasets often fail to align with real-world interpersonal interactions, leading to unfaithful representations. For instance, unrealistic scenarios may arise, such as when the persuadee explicitly instructs the persuader on which persuasion strategies to employ, with each of the persuadee's questions corresponding to a specific strategy for the persuader to follow. This issue can be attributed to a violation of the "Double Blind" condition, where critical information is fully shared between participants. In actual human interactions, however, key information such as the mental state of the persuadee and the persuasion strategies of the persuader is not directly accessible. The persuader must infer the persuadee's mental state using Theory of Mind capabilities and construct arguments that align with the persuadee's motivations. To address this gap, we introduce ToMMA, a novel multi-agent framework for dialogue generation that is guided by causal Theory of Mind. This framework ensures that information remains undisclosed between agents, preserving "double-blind" conditions, while causal ToM directs the persuader's reasoning, enhancing alignment with human-like persuasion dynamics. Consequently, we present CToMPersu, a multi-domain, multi-turn persuasive dialogue dataset that tackles both double-blind and logical coherence issues, demonstrating superior performance across multiple metrics and achieving better alignment with real human dialogues. Our dataset and prompts are available at https://github.com/DingyiZhang/ToMMA-CToMPersu .
comment: 23pages
☆ Token-level Ensembling of Models with Different Vocabularies
Model ensembling is a technique to combine the predicted distributions of two or more models, often leading to improved robustness and performance. For ensembling in text generation, the next token's probability distribution is derived from a weighted sum of the distributions of each individual model. This requires the underlying models to share the same subword vocabulary, limiting the applicability of ensembling, since many open-sourced models have distinct vocabularies. In research settings, experimentation or upgrades to vocabularies may introduce multiple vocabulary sizes. This paper proposes an inference-time only algorithm that allows for ensembling models with different vocabularies, without the need to learn additional parameters or alter the underlying models. Instead, the algorithm ensures that tokens generated by the ensembled models \textit{agree} in their surface form. We apply this technique to combinations of traditional encoder-decoder models and decoder-only LLMs and evaluate on machine translation. In addition to expanding to model pairs that were previously incapable of token-level ensembling, our algorithm frequently improves translation performance over either model individually.
comment: Under review
☆ RuCCoD: Towards Automated ICD Coding in Russian
This study investigates the feasibility of automating clinical coding in Russian, a language with limited biomedical resources. We present a new dataset for ICD coding, which includes diagnosis fields from electronic health records (EHRs) annotated with over 10,000 entities and more than 1,500 unique ICD codes. This dataset serves as a benchmark for several state-of-the-art models, including BERT, LLaMA with LoRA, and RAG, with additional experiments examining transfer learning across domains (from PubMed abstracts to medical diagnosis) and terminologies (from UMLS concepts to ICD codes). We then apply the best-performing model to label an in-house EHR dataset containing patient histories from 2017 to 2021. Our experiments, conducted on a carefully curated test set, demonstrate that training with the automated predicted codes leads to a significant improvement in accuracy compared to manually annotated data from physicians. We believe our findings offer valuable insights into the potential for automating clinical coding in resource-limited languages like Russian, which could enhance clinical efficiency and data accuracy in these contexts.
☆ Semantic Volume: Quantifying and Detecting both External and Internal Uncertainty in LLMs
Large language models (LLMs) have demonstrated remarkable performance across diverse tasks by encoding vast amounts of factual knowledge. However, they are still prone to hallucinations, generating incorrect or misleading information, often accompanied by high uncertainty. Existing methods for hallucination detection primarily focus on quantifying internal uncertainty, which arises from missing or conflicting knowledge within the model. However, hallucinations can also stem from external uncertainty, where ambiguous user queries lead to multiple possible interpretations. In this work, we introduce Semantic Volume, a novel mathematical measure for quantifying both external and internal uncertainty in LLMs. Our approach perturbs queries and responses, embeds them in a semantic space, and computes the determinant of the Gram matrix of the embedding vectors, capturing their dispersion as a measure of uncertainty. Our framework provides a generalizable and unsupervised uncertainty detection method without requiring white-box access to LLMs. We conduct extensive experiments on both external and internal uncertainty detection, demonstrating that our Semantic Volume method consistently outperforms existing baselines in both tasks. Additionally, we provide theoretical insights linking our measure to differential entropy, unifying and extending previous sampling-based uncertainty measures such as the semantic entropy. Semantic Volume is shown to be a robust and interpretable approach to improving the reliability of LLMs by systematically detecting uncertainty in both user queries and model responses.
Transforming Tuberculosis Care: Optimizing Large Language Models For Enhanced Clinician-Patient Communication AAAI-25
Tuberculosis (TB) is the leading cause of death from an infectious disease globally, with the highest burden in low- and middle-income countries. In these regions, limited healthcare access and high patient-to-provider ratios impede effective patient support, communication, and treatment completion. To bridge this gap, we propose integrating a specialized Large Language Model into an efficacious digital adherence technology to augment interactive communication with treatment supporters. This AI-powered approach, operating within a human-in-the-loop framework, aims to enhance patient engagement and improve TB treatment outcomes.
comment: GenAI4Health at AAAI-25
☆ ECLeKTic: a Novel Challenge Set for Evaluation of Cross-Lingual Knowledge Transfer
To achieve equitable performance across languages, multilingual large language models (LLMs) must be able to abstract knowledge beyond the language in which it was acquired. However, the current literature lacks reliable ways to measure LLMs' capability of cross-lingual knowledge transfer. To that end, we present ECLeKTic, a multilingual closed-book QA (CBQA) dataset that Evaluates Cross-Lingual Knowledge Transfer in a simple, black-box manner. We detected information with uneven coverage across languages by controlling for presence and absence of Wikipedia articles in 12 languages. We generated knowledge-seeking questions in a source language, for which the answer appears in a relevant Wikipedia article and translated them to all other 11 languages, for which the respective Wikipedias lack equivalent articles. Assuming that Wikipedia reflects the prominent knowledge in the LLM's training data, to solve ECLeKTic's CBQA task the model is required to transfer knowledge between languages. Experimenting with 8 LLMs, we show that SOTA models struggle to effectively share knowledge across, languages even if they can predict the answer well for queries in the same language the knowledge was acquired in.
Detecting Linguistic Diversity on Social Media
This chapter explores the efficacy of using social media data to examine changing linguistic behaviour of a place. We focus our investigation on Aotearoa New Zealand where official statistics from the census is the only source of language use data. We use published census data as the ground truth and the social media sub-corpus from the Corpus of Global Language Use as our alternative data source. We use place as the common denominator between the two data sources. We identify the language conditions of each tweet in the social media data set and validated our results with two language identification models. We then compare levels of linguistic diversity at national, regional, and local geographies. The results suggest that social media language data has the possibility to provide a rich source of spatial and temporal insights on the linguistic profile of a place. We show that social media is sensitive to demographic and sociopolitical changes within a language and at low-level regional and local geographies.
comment: Accepted to Cartography and GIScience in Australasia and Oceania: Including twenty years of GeoCart
☆ Optimizing Large Language Models for ESG Activity Detection in Financial Texts
The integration of Environmental, Social, and Governance (ESG) factors into corporate decision-making is a fundamental aspect of sustainable finance. However, ensuring that business practices align with evolving regulatory frameworks remains a persistent challenge. AI-driven solutions for automatically assessing the alignment of sustainability reports and non-financial disclosures with specific ESG activities could greatly support this process. Yet, this task remains complex due to the limitations of general-purpose Large Language Models (LLMs) in domain-specific contexts and the scarcity of structured, high-quality datasets. In this paper, we investigate the ability of current-generation LLMs to identify text related to environmental activities. Furthermore, we demonstrate that their performance can be significantly enhanced through fine-tuning on a combination of original and synthetically generated data. To this end, we introduce ESG-Activities, a benchmark dataset containing 1,325 labelled text segments classified according to the EU ESG taxonomy. Our experimental results show that fine-tuning on ESG-Activities significantly enhances classification accuracy, with open models such as Llama 7B and Gemma 7B outperforming large proprietary solutions in specific configurations. These findings have important implications for financial analysts, policymakers, and AI researchers seeking to enhance ESG transparency and compliance through advanced natural language processing techniques.
☆ Generating patient cohorts from electronic health records using two-step retrieval-augmented text-to-SQL generation
Clinical cohort definition is crucial for patient recruitment and observational studies, yet translating inclusion/exclusion criteria into SQL queries remains challenging and manual. We present an automated system utilizing large language models that combines criteria parsing, two-level retrieval augmented generation with specialized knowledge bases, medical concept standardization, and SQL generation to retrieve patient cohorts with patient funnels. The system achieves 0.75 F1-score in cohort identification on EHR data, effectively capturing complex temporal and logical relationships. These results demonstrate the feasibility of automated cohort generation for epidemiological research.
comment: 7 pages, 1 figure
☆ Re-evaluating Theory of Mind evaluation in large language models
The question of whether large language models (LLMs) possess Theory of Mind (ToM) -- often defined as the ability to reason about others' mental states -- has sparked significant scientific and public interest. However, the evidence as to whether LLMs possess ToM is mixed, and the recent growth in evaluations has not resulted in a convergence. Here, we take inspiration from cognitive science to re-evaluate the state of ToM evaluation in LLMs. We argue that a major reason for the disagreement on whether LLMs have ToM is a lack of clarity on whether models should be expected to match human behaviors, or the computations underlying those behaviors. We also highlight ways in which current evaluations may be deviating from "pure" measurements of ToM abilities, which also contributes to the confusion. We conclude by discussing several directions for future research, including the relationship between ToM and pragmatic communication, which could advance our understanding of artificial systems as well as human cognition.
comment: under review
☆ PASemiQA: Plan-Assisted Agent for Question Answering on Semi-Structured Data with Text and Relational Information
Large language models (LLMs) have shown impressive abilities in answering questions across various domains, but they often encounter hallucination issues on questions that require professional and up-to-date knowledge. To address this limitation, retrieval-augmented generation (RAG) techniques have been proposed, which retrieve relevant information from external sources to inform their responses. However, existing RAG methods typically focus on a single type of external data, such as vectorized text database or knowledge graphs, and cannot well handle real-world questions on semi-structured data containing both text and relational information. To bridge this gap, we introduce PASemiQA, a novel approach that jointly leverages text and relational information in semi-structured data to answer questions. PASemiQA first generates a plan to identify relevant text and relational information to answer the question in semi-structured data, and then uses an LLM agent to traverse the semi-structured data and extract necessary information. Our empirical results demonstrate the effectiveness of PASemiQA across different semi-structured datasets from various domains, showcasing its potential to improve the accuracy and reliability of question answering systems on semi-structured data.
☆ CODI: Compressing Chain-of-Thought into Continuous Space via Self-Distillation
Chain-of-Thought (CoT) enhances Large Language Models (LLMs) by enabling step-by-step reasoning in natural language. However, the language space may be suboptimal for reasoning. While implicit CoT methods attempt to enable reasoning without explicit CoT tokens, they have consistently lagged behind explicit CoT method in task performance. We propose CODI (Continuous Chain-of-Thought via Self-Distillation), a novel framework that distills CoT into a continuous space, where a shared model acts as both teacher and student, jointly learning explicit and implicit CoT while aligning their hidden activation on the token generating the final answer. CODI is the first implicit CoT method to match explicit CoT's performance on GSM8k while achieving 3.1x compression, surpassing the previous state-of-the-art by 28.2% in accuracy. Furthermore, CODI demonstrates scalability, robustness, and generalizability to more complex CoT datasets. Additionally, CODI retains interpretability by decoding its continuous thoughts, making its reasoning process transparent. Our findings establish implicit CoT as not only a more efficient but a powerful alternative to explicit CoT.
comment: 15 pages
☆ Beyond Words: A Latent Memory Approach to Internal Reasoning in LLMs
Recent advances in large language models (LLMs) have popularized the chain-of-thought (CoT) paradigm, in which models produce explicit reasoning steps in natural language. Although this approach improves interpretability and facilitates external auditing, it may not represent the most computationally efficient method for internal reasoning. In contrast, human cognition relies on implicit mental representations that recall past sensory and episodic information without requiring complete verbalization. In this paper, we propose a framework that integrates implicit mental representations into the internal reasoning processes of LLMs. Preliminary experiments indicate that incorporating an Implicit Memory Module (IMM) into a simple GPT model yields a reduction of between 35% and 57% in final training loss compared to a regular GPT baseline. The addition of an explicit interpretability channel (e.g., a chain-of-thought decoder) is straightforward to implement within this approach. We outline theoretical foundations, propose technical mechanisms to scale the memory module, and discuss how these ideas may lead to more efficient and robust reasoning, with optional future extensions for explicit auditability.
comment: 13 pages, 5 figures
☆ Extending Dense Passage Retrieval with Temporal Information
Temporal awareness is crucial in many information retrieval tasks, particularly in scenarios where the relevance of documents depends on their alignment with the query's temporal context. Traditional retrieval methods such as BM25 and Dense Passage Retrieval (DPR) excel at capturing lexical and semantic relevance but fall short in addressing time-sensitive queries. To bridge this gap, we introduce the temporal retrieval model that integrates explicit temporal signals by incorporating query timestamps and document dates into the representation space. Our approach ensures that retrieved passages are not only topically relevant but also temporally aligned with user intent. We evaluate our approach on two large-scale benchmark datasets, ArchivalQA and ChroniclingAmericaQA, achieving substantial performance gains over standard retrieval baselines. In particular, our model improves Top-1 retrieval accuracy by 6.63% and NDCG@10 by 3.79% on ArchivalQA, while yielding a 9.56% boost in Top-1 retrieval accuracy and 4.68% in NDCG@10 on ChroniclingAmericaQA. Additionally, we introduce a time-sensitive negative sampling strategy, which refines the model's ability to distinguish between temporally relevant and irrelevant documents during training. Our findings highlight the importance of explicitly modeling time in retrieval systems and set a new standard for handling temporally grounded queries.
☆ PersuasiveToM: A Benchmark for Evaluating Machine Theory of Mind in Persuasive Dialogues
The ability to understand and predict the mental states of oneself and others, known as the Theory of Mind (ToM), is crucial for effective social interactions. Recent research has emerged to evaluate whether Large Language Models (LLMs) exhibit a form of ToM. Although recent studies have evaluated ToM in LLMs, existing benchmarks focus predominantly on physical perception with principles guided by the Sally-Anne test in synthetic stories and conversations, failing to capture the complex psychological activities of mental states in real-life social interactions. To mitigate this gap, we propose PersuasiveToM, a benchmark designed to evaluate the ToM abilities of LLMs in persuasive dialogues. Our framework introduces two categories of questions: (1) ToM Reasoning, assessing the capacity of LLMs to track evolving mental states (e.g., desire shifts in persuadees), and (2) ToM Application, evaluating whether LLMs can take advantage of inferred mental states to select effective persuasion strategies (e.g., emphasize rarity) and evaluate the effectiveness of persuasion strategies. Experiments across eight state-of-the-art LLMs reveal that while models excel on multiple questions, they struggle to answer questions that need tracking the dynamics and shifts of mental states and understanding the mental states in the whole dialogue comprehensively. Our aim with PersuasiveToM is to allow an effective evaluation of the ToM reasoning ability of LLMs with more focus on complex psychological activities. Our code is available at https://github.com/Yu-Fangxu/PersuasiveToM.
☆ Capability Localization: Capabilities Can be Localized rather than Individual Knowledge
Large scale language models have achieved superior performance in tasks related to natural language processing, however, it is still unclear how model parameters affect performance improvement. Previous studies assumed that individual knowledge is stored in local parameters, and the storage form of individual knowledge is dispersed parameters, parameter layers, or parameter chains, which are not unified. We found through fidelity and reliability evaluation experiments that individual knowledge cannot be localized. Afterwards, we constructed a dataset for decoupling experiments and discovered the potential for localizing data commonalities. To further reveal this phenomenon, this paper proposes a Commonality Neuron Localization (CNL) method, which successfully locates commonality neurons and achieves a neuron overlap rate of 96.42% on the GSM8K dataset. Finally, we have demonstrated through cross data experiments that commonality neurons are a collection of capability neurons that possess the capability to enhance performance. Our code is available at https://github.com/nlpkeg/Capability-Neuron-Localization.
☆ Merging Clinical Knowledge into Large Language Models for Medical Research and Applications: A Survey
Clinical knowledge is the collection of information learned from studies on the causes, prognosis, diagnosis, and treatment of diseases. This type of knowledge can improve curing performances, and promote physical health. With the emergence of large language models (LLMs), medical artificial intelligence (medical AI), which aims to apply academic medical AI systems to real-world medical scenarios, has entered a new age of development, resulting in excellent works such as DoctorGPT and Pangu-Drug from academic and industrial researches. However, the field lacks a comprehensive compendium and comparison of building medical AI systems from academia and industry. Therefore, this survey focuses on the building paradigms of medical AI systems including the use of clinical databases, datasets, training pipelines, integrating medical knowledge graphs, system applications, and evaluation systems. We hope that this survey can help relevant practical researchers understand the current performance of academic models in various fields of healthcare, as well as the potential problems and future directions for implementing these scientific achievements.
☆ UoR-NCL at SemEval-2025 Task 1: Using Generative LLMs and CLIP Models for Multilingual Multimodal Idiomaticity Representation
SemEval-2025 Task 1 focuses on ranking images based on their alignment with a given nominal compound that may carry idiomatic meaning in both English and Brazilian Portuguese. To address this challenge, this work uses generative large language models (LLMs) and multilingual CLIP models to enhance idiomatic compound representations. LLMs generate idiomatic meanings for potentially idiomatic compounds, enriching their semantic interpretation. These meanings are then encoded using multilingual CLIP models, serving as representations for image ranking. Contrastive learning and data augmentation techniques are applied to fine-tune these embeddings for improved performance. Experimental results show that multimodal representations extracted through this method outperformed those based solely on the original nominal compounds. The fine-tuning approach shows promising outcomes but is less effective than using embeddings without fine-tuning. The source code used in this paper is available at https://github.com/tongwu17/SemEval-2025-Task1-UoR-NCL.
☆ Set-Theoretic Compositionality of Sentence Embeddings
Sentence encoders play a pivotal role in various NLP tasks; hence, an accurate evaluation of their compositional properties is paramount. However, existing evaluation methods predominantly focus on goal task-specific performance. This leaves a significant gap in understanding how well sentence embeddings demonstrate fundamental compositional properties in a task-independent context. Leveraging classical set theory, we address this gap by proposing six criteria based on three core "set-like" compositions/operations: \textit{TextOverlap}, \textit{TextDifference}, and \textit{TextUnion}. We systematically evaluate $7$ classical and $9$ Large Language Model (LLM)-based sentence encoders to assess their alignment with these criteria. Our findings show that SBERT consistently demonstrates set-like compositional properties, surpassing even the latest LLMs. Additionally, we introduce a new dataset of ~$192$K samples designed to facilitate future benchmarking efforts on set-like compositionality of sentence embeddings.
☆ Arabizi vs LLMs: Can the Genie Understand the Language of Aladdin?
In this era of rapid technological advancements, communication continues to evolve as new linguistic phenomena emerge. Among these is Arabizi, a hybrid form of Arabic that incorporates Latin characters and numbers to represent the spoken dialects of Arab communities. Arabizi is widely used on social media and allows people to communicate in an informal and dynamic way, but it poses significant challenges for machine translation due to its lack of formal structure and deeply embedded cultural nuances. This case study arises from a growing need to translate Arabizi for gisting purposes. It evaluates the capacity of different LLMs to decode and translate Arabizi, focusing on multiple Arabic dialects that have rarely been studied up until now. Using a combination of human evaluators and automatic metrics, this research project investigates the model's performance in translating Arabizi into both Modern Standard Arabic and English. Key questions explored include which dialects are translated most effectively and whether translations into English surpass those into Arabic.
comment: Submitted to MT Summit 2025
☆ Beware of Your Po! Measuring and Mitigating AI Safety Risks in Role-Play Fine-Tuning of LLMs
Role-playing enables large language models (LLMs) to engage users in immersive and personalized interactions, but it also introduces significant safety risks. Existing role-play fine-tuning techniques improve role adaptability but may degrade safety performance, particularly for villainous characters. In this work, we conduct the first comprehensive assessment of role-play fine-tuning risks by training 95 role-specific LLMs using RoleBench. Our experiments reveal that role-play fine-tuning leads to a noticeable decline in safety performance, with safety risks varying based on character traits. To tackle this challenge, we propose Safety-Aware Role-Play Fine-Tuning (SaRFT), a novel method designed to balance role-playing capabilities and safety. Extensive experiments on LLaMA-3-8B-Instruct, Gemma-2-9B-it, and Qwen2.5-7B-Instruct demonstrate that SaRFT consistently outperforms state-of-the-art baselines under both LoRA and full-parameter fine-tuning settings. Our findings highlight the necessity of role-adaptive safety measures and provide insights into mitigating role-specific safety risks in role-playing LLMs.
comment: 25 pages, 10 figures, 13 tables
☆ WebFAQ: A Multilingual Collection of Natural Q&A Datasets for Dense Retrieval
We present WebFAQ, a large-scale collection of open-domain question answering datasets derived from FAQ-style schema.org annotations. In total, the data collection consists of 96 million natural question-answer (QA) pairs across 75 languages, including 47 million (49%) non-English samples. WebFAQ further serves as the foundation for 20 monolingual retrieval benchmarks with a total size of 11.2 million QA pairs (5.9 million non-English). These datasets are carefully curated through refined filtering and near-duplicate detection, yielding high-quality resources for training and evaluating multilingual dense retrieval models. To empirically confirm WebFAQ's efficacy, we use the collected QAs to fine-tune an in-domain pretrained XLM-RoBERTa model. Through this process of dataset-specific fine-tuning, the model achieves significant retrieval performance gains, which generalize - beyond WebFAQ - to other multilingual retrieval benchmarks evaluated in zero-shot setting. Last but not least, we utilize WebFAQ to construct a set of QA-aligned bilingual corpora spanning over 1000 language pairs using state-of-the-art bitext mining and automated LLM-assessed translation evaluation. Due to our advanced, automated method of bitext dataset generation, the resulting bilingual corpora demonstrate higher translation quality compared to similar datasets. WebFAQ and all associated resources are publicly available on GitHub and HuggingFace.
comment: 10 pages, 3 figures, 7 tables
☆ Automated Evaluation of Meter and Rhyme in Russian Generative and Human-Authored Poetry
Generative poetry systems require effective tools for data engineering and automatic evaluation, particularly to assess how well a poem adheres to versification rules, such as the correct alternation of stressed and unstressed syllables and the presence of rhymes. In this work, we introduce the Russian Poetry Scansion Tool library designed for stress mark placement in Russian-language syllabo-tonic poetry, rhyme detection, and identification of defects of poeticness. Additionally, we release RIFMA -- a dataset of poem fragments spanning various genres and forms, annotated with stress marks. This dataset can be used to evaluate the capability of modern large language models to accurately place stress marks in poetic texts. The published resources provide valuable tools for researchers and practitioners in the field of creative generative AI, facilitating advancements in the development and evaluation of generative poetry systems.
comment: 7 pages, 1 figure
☆ Everything, Everywhere, All at Once: Is Mechanistic Interpretability Identifiable?
As AI systems are used in high-stakes applications, ensuring interpretability is crucial. Mechanistic Interpretability (MI) aims to reverse-engineer neural networks by extracting human-understandable algorithms to explain their behavior. This work examines a key question: for a given behavior, and under MI's criteria, does a unique explanation exist? Drawing on identifiability in statistics, where parameters are uniquely inferred under specific assumptions, we explore the identifiability of MI explanations. We identify two main MI strategies: (1) "where-then-what," which isolates a circuit replicating model behavior before interpreting it, and (2) "what-then-where," which starts with candidate algorithms and searches for neural activation subspaces implementing them, using causal alignment. We test both strategies on Boolean functions and small multi-layer perceptrons, fully enumerating candidate explanations. Our experiments reveal systematic non-identifiability: multiple circuits can replicate behavior, a circuit can have multiple interpretations, several algorithms can align with the network, and one algorithm can align with different subspaces. Is uniqueness necessary? A pragmatic approach may require only predictive and manipulability standards. If uniqueness is essential for understanding, stricter criteria may be needed. We also reference the inner interpretability framework, which validates explanations through multiple criteria. This work contributes to defining explanation standards in AI.
☆ A database to support the evaluation of gender biases in GPT-4o output ISCA
The widespread application of Large Language Models (LLMs) involves ethical risks for users and societies. A prominent ethical risk of LLMs is the generation of unfair language output that reinforces or exacerbates harm for members of disadvantaged social groups through gender biases (Weidinger et al., 2022; Bender et al., 2021; Kotek et al., 2023). Hence, the evaluation of the fairness of LLM outputs with respect to such biases is a topic of rising interest. To advance research in this field, promote discourse on suitable normative bases and evaluation methodologies, and enhance the reproducibility of related studies, we propose a novel approach to database construction. This approach enables the assessment of gender-related biases in LLM-generated language beyond merely evaluating their degree of neutralization.
comment: ISCA/ITG Workshop on Diversity in Large Speech and Language Models
☆ Beyond Demographics: Fine-tuning Large Language Models to Predict Individuals' Subjective Text Perceptions
People naturally vary in their annotations for subjective questions and some of this variation is thought to be due to the person's sociodemographic characteristics. LLMs have also been used to label data, but recent work has shown that models perform poorly when prompted with sociodemographic attributes, suggesting limited inherent sociodemographic knowledge. Here, we ask whether LLMs can be trained to be accurate sociodemographic models of annotator variation. Using a curated dataset of five tasks with standardized sociodemographics, we show that models do improve in sociodemographic prompting when trained but that this performance gain is largely due to models learning annotator-specific behaviour rather than sociodemographic patterns. Across all tasks, our results suggest that models learn little meaningful connection between sociodemographics and annotation, raising doubts about the current use of LLMs for simulating sociodemographic variation and behaviour.
comment: Reviewed ARR December 2024
☆ ProBench: Benchmarking Large Language Models in Competitive Programming
With reasoning language models such as OpenAI-o3 and DeepSeek-R1 emerging, large language models (LLMs) have entered a new phase of development. However, existing benchmarks for coding evaluation are gradually inadequate to assess the capability of advanced LLMs in code reasoning. To bridge the gap for high-level code reasoning assessment, we propose ProBench to benchmark LLMs in competitive programming, drawing inspiration from the International Collegiate Programming Contest. ProBench collects a comprehensive set of competitive programming problems from Codeforces, Luogu, and Nowcoder platforms during the period from July to December 2024, obtaining real test results through online submissions to ensure the fairness and accuracy of the evaluation. We establish a unified problem attribute system, including difficulty grading and algorithm tagging. With carefully collected and annotated data in ProBench, we systematically assess 9 latest LLMs in competitive programming across multiple dimensions, including thought chain analysis, error type diagnosis, and reasoning depth evaluation. Experimental results show that QwQ-32B-Preview achieves the best score of 20.93 followed by DeepSeek-V3 with a score of 16.38, suggesting that models trained with specialized reasoning tasks significantly outperform general-purpose models (even larger than reasoning-oriented models) in programming. Further analysis also reveals key areas for programming capability enhancement, e.g., algorithm adaptability and reasoning sufficiency, providing important insights for the future development of reasoning models.
☆ Better Benchmarking LLMs for Zero-Shot Dependency Parsing
While LLMs excel in zero-shot tasks, their performance in linguistic challenges like syntactic parsing has been less scrutinized. This paper studies state-of-the-art open-weight LLMs on the task by comparing them to baselines that do not have access to the input sentence, including baselines that have not been used in this context such as random projective trees or optimal linear arrangements. The results show that most of the tested LLMs cannot outperform the best uninformed baselines, with only the newest and largest versions of LLaMA doing so for most languages, and still achieving rather low performance. Thus, accurate zero-shot syntactic parsing is not forthcoming with open LLMs.
comment: Accepted at NoDaLiDa/Baltic-HLT 2025
☆ Do Language Models Understand Honorific Systems in Javanese?
The Javanese language features a complex system of honorifics that vary according to the social status of the speaker, listener, and referent. Despite its cultural and linguistic significance, there has been limited progress in developing a comprehensive corpus to capture these variations for natural language processing (NLP) tasks. In this paper, we present Unggah-Ungguh, a carefully curated dataset designed to encapsulate the nuances of Unggah-Ungguh Basa, the Javanese speech etiquette framework that dictates the choice of words and phrases based on social hierarchy and context. Using Unggah-Ungguh, we assess the ability of language models (LMs) to process various levels of Javanese honorifics through classification and machine translation tasks. To further evaluate cross-lingual LMs, we conduct machine translation experiments between Javanese (at specific honorific levels) and Indonesian. Additionally, we explore whether LMs can generate contextually appropriate Javanese honorifics in conversation tasks, where the honorific usage should align with the social role and contextual cues. Our findings indicate that current LMs struggle with most honorific levels, exhibitinga bias toward certain honorific tiers.
☆ The Power of Personality: A Human Simulation Perspective to Investigate Large Language Model Agents
Large language models (LLMs) excel in both closed tasks (including problem-solving, and code generation) and open tasks (including creative writing), yet existing explanations for their capabilities lack connections to real-world human intelligence. To fill this gap, this paper systematically investigates LLM intelligence through the lens of ``human simulation'', addressing three core questions: (1) How do personality traits affect problem-solving in closed tasks? (2) How do traits shape creativity in open tasks? (3) How does single-agent performance influence multi-agent collaboration? By assigning Big Five personality traits to LLM agents and evaluating their performance in single- and multi-agent settings, we reveal that specific traits significantly influence reasoning accuracy (closed tasks) and creative output (open tasks). Furthermore, multi-agent systems exhibit collective intelligence distinct from individual capabilities, driven by distinguishing combinations of personalities. We demonstrate that LLMs inherently simulate human behavior through next-token prediction, mirroring human language, decision-making, and collaborative dynamics.
☆ MAMUT: A Novel Framework for Modifying Mathematical Formulas for the Generation of Specialized Datasets for Language Model Training
Mathematical formulas are a fundamental and widely used component in various scientific fields, serving as a universal language for expressing complex concepts and relationships. While state-of-the-art transformer models excel in processing and understanding natural language, they encounter challenges with mathematical notation, which involves a complex structure and diverse representations. This study focuses on the development of specialized training datasets to enhance the encoding of mathematical content. We introduce Math Mutator (MAMUT), a framework capable of generating equivalent and falsified versions of a given mathematical formula in LaTeX notation, effectively capturing the mathematical variety in notation of the same concept. Based on MAMUT, we have generated four large mathematical datasets containing diverse notation, which can be used to train language models with enhanced mathematical embeddings.
☆ A Pilot Empirical Study on When and How to Use Knowledge Graphs as Retrieval Augmented Generation
The integration of Knowledge Graphs (KGs) into the Retrieval Augmented Generation (RAG) framework has attracted significant interest, with early studies showing promise in mitigating hallucinations and improving model accuracy. However, a systematic understanding and comparative analysis of the rapidly emerging KG-RAG methods are still lacking. This paper seeks to lay the foundation for systematically answering the question of when and how to use KG-RAG by analyzing their performance in various application scenarios associated with different technical configurations. After outlining the mind map using KG-RAG framework and summarizing its popular pipeline, we conduct a pilot empirical study of KG-RAG works to reimplement and evaluate 6 KG-RAG methods across 7 datasets in diverse scenarios, analyzing the impact of 9 KG-RAG configurations in combination with 17 LLMs. Our results underscore the critical role of appropriate application conditions and optimal configurations of KG-RAG components.
comment: 8 pages, 2 figures, 14 tables
☆ Learning to Substitute Components for Compositional Generalization
Despite the rising prevalence of neural language models, recent empirical evidence suggests their deficiency in compositional generalization. One of the current de-facto solutions to this problem is compositional data augmentation, which aims to introduce additional compositional inductive bias. However, existing handcrafted augmentation strategies offer limited improvement when systematic generalization of neural language models requires multi-grained compositional bias (i.e., not limited to either lexical or structural biases alone) or when training sentences have an imbalanced difficulty distribution. To address these challenges, we first propose a novel compositional augmentation strategy called Component Substitution (CompSub), which enables multi-grained composition of substantial substructures across the entire training set. Furthermore, we introduce the Learning Component Substitution (LCS) framework. This framework empowers the learning of component substitution probabilities in CompSub in an end-to-end manner by maximizing the loss of neural language models, thereby prioritizing challenging compositions with elusive concepts and novel contexts. We extend the key ideas of CompSub and LCS to the recently emerging in-context learning scenarios of pre-trained large language models (LLMs), proposing the LCS-ICL algorithm to enhance the few-shot compositional generalization of state-of-the-art (SOTA) LLMs. Theoretically, we provide insights into why applying our algorithms to language models can improve compositional generalization performance. Empirically, our results on four standard compositional generalization benchmarks(SCAN, COGS, GeoQuery, and COGS-QL) demonstrate the superiority of CompSub, LCS, and LCS-ICL, with improvements of up to 66.5%, 10.3%, 1.4%, and 8.8%, respectively.
comment: 23 pages, 9 figures, preprint, the extension paper of the paper (arXiv:2306.02840)
☆ HAIC: Improving Human Action Understanding and Generation with Better Captions for Multi-modal Large Language Models
Recent Multi-modal Large Language Models (MLLMs) have made great progress in video understanding. However, their performance on videos involving human actions is still limited by the lack of high-quality data. To address this, we introduce a two-stage data annotation pipeline. First, we design strategies to accumulate videos featuring clear human actions from the Internet. Second, videos are annotated in a standardized caption format that uses human attributes to distinguish individuals and chronologically details their actions and interactions. Through this pipeline, we curate two datasets, namely HAICTrain and HAICBench. \textbf{HAICTrain} comprises 126K video-caption pairs generated by Gemini-Pro and verified for training purposes. Meanwhile, \textbf{HAICBench} includes 500 manually annotated video-caption pairs and 1,400 QA pairs, for a comprehensive evaluation of human action understanding. Experimental results demonstrate that training with HAICTrain not only significantly enhances human understanding abilities across 4 benchmarks, but can also improve text-to-video generation results. Both the HAICTrain and HAICBench are released at https://huggingface.co/datasets/KuaishouHAIC/HAIC.
☆ Plan2Align: Predictive Planning Based Test-Time Preference Alignment in Paragraph-Level Machine Translation
Machine Translation (MT) has been predominantly designed for sentence-level translation using transformer-based architectures. While next-token prediction based Large Language Models (LLMs) demonstrate strong capabilities in long-text translation, non-extensive language models often suffer from omissions and semantic inconsistencies when processing paragraphs. Existing preference alignment methods improve sentence-level translation but fail to ensure coherence over extended contexts due to the myopic nature of next-token generation. We introduce Plan2Align, a test-time alignment framework that treats translation as a predictive planning problem, adapting Model Predictive Control to iteratively refine translation outputs. Experiments on WMT24 Discourse-Level Literary Translation show that Plan2Align significantly improves paragraph-level translation, achieving performance surpassing or on par with the existing training-time and test-time alignment methods on LLaMA-3.1 8B.
comment: Preprint. Code will be released at Plan2Align GitHub link: https://github.com/NYCU-RL-Bandits-Lab/Plan2Align
☆ Chain-of-Thought Matters: Improving Long-Context Language Models with Reasoning Path Supervision
Recent advances in Large Language Models (LLMs) have highlighted the challenge of handling long-context tasks, where models need to reason over extensive input contexts to aggregate target information. While Chain-of-Thought (CoT) prompting has shown promise for multi-step reasoning, its effectiveness for long-context scenarios remains underexplored. Through systematic investigation across diverse tasks, we demonstrate that CoT's benefits generalize across most long-context scenarios and amplify with increasing context length. Motivated by this critical observation, we propose LongRePS, a process-supervised framework that teaches models to generate high-quality reasoning paths for enhanced long-context performance. Our framework incorporates a self-sampling mechanism to bootstrap reasoning paths and a novel quality assessment protocol specifically designed for long-context scenarios. Experimental results on various long-context benchmarks demonstrate the effectiveness of our approach, achieving significant improvements over outcome supervision baselines on both in-domain tasks (+13.6/+3.8 points for LLaMA/Qwen on MuSiQue) and cross-domain generalization (+9.3/+8.1 points on average across diverse QA tasks). Our code, data and trained models are made public to facilitate future research.
comment: 14 pages,6 figures
☆ GraphCheck: Multi-Path Fact-Checking with Entity-Relationship Graphs
Automated fact-checking aims to assess the truthfulness of text based on relevant evidence, yet verifying complex claims requiring multi-hop reasoning remains a significant challenge. We propose GraphCheck, a novel framework that converts claims into entity-relationship graphs for comprehensive verification. By identifying relation between explicit entities and latent entities across multiple paths, GraphCheck enhances the adaptability and robustness of verification. Furthermore, we introduce DP-GraphCheck, a two-stage variant that improves performance by incorporating direct prompting as an initial filtering step. Experiments on the HOVER and EX-FEVER datasets show that our approach outperforms existing methods, particularly in multi-hop reasoning tasks. Furthermore, our two-stage framework generalizes well to other fact-checking pipelines, demonstrating its versatility.
☆ MedHallTune: An Instruction-Tuning Benchmark for Mitigating Medical Hallucination in Vision-Language Models
The increasing use of vision-language models (VLMs) in healthcare applications presents great challenges related to hallucinations, in which the models may generate seemingly plausible results that are in fact incorrect. Such hallucinations can jeopardize clinical decision making, potentially harming the diagnosis and treatments. In this work, we propose MedHallTune, a large-scale benchmark designed specifically to evaluate and mitigate hallucinations in medical VLMs. Comprising over 100,000 images and 1,000,000 instruction pairs, MedHallTune includes both hallucination and non-hallucination samples, each with ground-truth annotations. We conduct a comprehensive evaluation of current medical and general VLMs using MedHallTune, assessing their performance across key metrics, including clinical accuracy, relevance, detail level, and risk level. The experimental results show that fine-tuning with MedHallTune successfully improves the ability of several existing models to manage hallucinations and boost their zero-shot performance on downstream visual-question-answering (VQA) tasks, making them more reliable for practical medical applications. Our work contributes to the development of more trustworthy VLMs. Codes and dataset will be available at \href{https://github.com/russellyq/MedHallTune}{MedHallTune}.
☆ Triple Phase Transitions: Understanding the Learning Dynamics of Large Language Models from a Neuroscience Perspective
Large language models (LLMs) often exhibit abrupt emergent behavior, whereby new abilities arise at certain points during their training. This phenomenon, commonly referred to as a ''phase transition'', remains poorly understood. In this study, we conduct an integrative analysis of such phase transitions by examining three interconnected perspectives: the similarity between LLMs and the human brain, the internal states of LLMs, and downstream task performance. We propose a novel interpretation for the learning dynamics of LLMs that vary in both training data and architecture, revealing that three phase transitions commonly emerge across these models during training: (1) alignment with the entire brain surges as LLMs begin adhering to task instructions Brain Alignment and Instruction Following, (2) unexpectedly, LLMs diverge from the brain during a period in which downstream task accuracy temporarily stagnates Brain Detachment and Stagnation, and (3) alignment with the brain reoccurs as LLMs become capable of solving the downstream tasks Brain Realignment and Consolidation. These findings illuminate the underlying mechanisms of phase transitions in LLMs, while opening new avenues for interdisciplinary research bridging AI and neuroscience.
comment: 46 pages
☆ FlexPrefill: A Context-Aware Sparse Attention Mechanism for Efficient Long-Sequence Inference ICLR 2025
Large language models (LLMs) encounter computational challenges during long-sequence inference, especially in the attention pre-filling phase, where the complexity grows quadratically with the prompt length. Previous efforts to mitigate these challenges have relied on fixed sparse attention patterns or identifying sparse attention patterns based on limited cases. However, these methods lacked the flexibility to efficiently adapt to varying input demands. In this paper, we introduce FlexPrefill, a Flexible sparse Pre-filling mechanism that dynamically adjusts sparse attention patterns and computational budget in real-time to meet the specific requirements of each input and attention head. The flexibility of our method is demonstrated through two key innovations: 1) Query-Aware Sparse Pattern Determination: By measuring Jensen-Shannon divergence, this component adaptively switches between query-specific diverse attention patterns and predefined attention patterns. 2) Cumulative-Attention Based Index Selection: This component dynamically selects query-key indexes to be computed based on different attention patterns, ensuring the sum of attention scores meets a predefined threshold. FlexPrefill adaptively optimizes the sparse pattern and sparse ratio of each attention head based on the prompt, enhancing efficiency in long-sequence inference tasks. Experimental results show significant improvements in both speed and accuracy over prior methods, providing a more flexible and efficient solution for LLM inference.
comment: Accepted at ICLR 2025 (Oral)
☆ Collective Reasoning Among LLMs A Framework for Answer Validation Without Ground Truth
We present a collaborative framework where multiple large language models, namely GPT-4-0125-preview, Meta-LLaMA-3-70B-Instruct, Claude-3-Opus, and Gemini-1.5-Flash, work together to generate and respond to complex PhD-level probability questions in the absence of definitive ground truth. This study explores how inter-model consensus enhances response reliability and serves as a proxy for assessing the quality of generated questions. To quantify agreement and consistency, we employ statistical methods including chi-square tests, Fleiss' Kappa, and confidence interval analysis, measuring both response precision and question clarity. Our findings highlight that Claude and Gemini generate well-structured and less ambiguous questions, leading to higher inter-model agreement. This is reflected in their narrower confidence intervals and stronger alignment with answering models. Conversely, LLaMA demonstrates increased variability and lower reliability in question formulation, as indicated by broader confidence intervals and reduced consensus rates. These results suggest that multi-model collaboration not only enhances the reliability of responses but also provides a valuable framework for assessing and improving question quality in the absence of explicit ground truth. This research offers meaningful insights into optimizing AI-driven reasoning through collaborative large-language model interactions.
comment: 14 pages, 2 figures. arXiv admin note: substantial text overlap with arXiv:2411.16797
☆ The Rise of Darkness: Safety-Utility Trade-Offs in Role-Playing Dialogue Agents
Large Language Models (LLMs) have made remarkable advances in role-playing dialogue agents, demonstrating their utility in character simulations. However, it remains challenging for these agents to balance character portrayal utility with content safety because this essential character simulation often comes with the risk of generating unsafe content. To address this issue, we first conduct a systematic exploration of the safety-utility trade-off across multiple LLMs. Our analysis reveals that risk scenarios created by villain characters and user queries (referred to as risk coupling) contribute to this trade-off. Building on this, we propose a novel Adaptive Dynamic Multi-Preference (ADMP) method, which dynamically adjusts safety-utility preferences based on the degree of risk coupling and guides the model to generate responses biased toward utility or safety. We further introduce Coupling Margin Sampling (CMS) into coupling detection to enhance the model's ability to handle high-risk scenarios. Experimental results demonstrate that our approach improves safety metrics while maintaining utility.
☆ Acquiring Grounded Representations of Words with Situated Interactive Instruction
We present an approach for acquiring grounded representations of words from mixed-initiative, situated interactions with a human instructor. The work focuses on the acquisition of diverse types of knowledge including perceptual, semantic, and procedural knowledge along with learning grounded meanings. Interactive learning allows the agent to control its learning by requesting instructions about unknown concepts, making learning efficient. Our approach has been instantiated in Soar and has been evaluated on a table-top robotic arm capable of manipulating small objects.
☆ Mitigating Hallucinations in Large Vision-Language Models by Adaptively Constraining Information Flow AAAI 2025
Large vision-language models show tremendous potential in understanding visual information through human languages. However, they are prone to suffer from object hallucination, i.e., the generated image descriptions contain objects that do not exist in the image. In this paper, we reveal that object hallucination can be attributed to overconfidence in irrelevant visual features when soft visual tokens map to the LLM's word embedding space. Specifically, by figuring out the semantic similarity between visual tokens and LLM's word embedding, we observe that the smoothness of similarity distribution strongly correlates with the emergence of object hallucinations. To mitigate hallucinations, we propose using the Variational Information Bottleneck (VIB) to alleviate overconfidence by introducing stochastic noise, facilitating the constraining of irrelevant information. Furthermore, we propose an entropy-based noise-controlling strategy to enable the injected noise to be adaptively constrained regarding the smoothness of the similarity distribution. We adapt the proposed AdaVIB across distinct model architectures. Experimental results demonstrate that the proposed AdaVIB mitigates object hallucinations by effectively alleviating the overconfidence in irrelevant visual features, with consistent improvements on two object hallucination benchmarks.
comment: Accepted to AAAI 2025. Camera ready version
☆ Teach-to-Reason with Scoring: Self-Explainable Rationale-Driven Multi-Trait Essay Scoring
Multi-trait automated essay scoring (AES) systems provide a fine-grained evaluation of an essay's diverse aspects. While they excel in scoring, prior systems fail to explain why specific trait scores are assigned. This lack of transparency leaves instructors and learners unconvinced of the AES outputs, hindering their practical use. To address this, we propose a self-explainable Rationale-Driven Multi-trait automated Essay scoring (RaDME) framework. RaDME leverages the reasoning capabilities of large language models (LLMs) by distilling them into a smaller yet effective scorer. This more manageable student model is optimized to sequentially generate a trait score followed by the corresponding rationale, thereby inherently learning to select a more justifiable score by considering the subsequent rationale during training. Our findings indicate that while LLMs underperform in direct AES tasks, they excel in rationale generation when provided with precise numerical scores. Thus, RaDME integrates the superior reasoning capacities of LLMs into the robust scoring accuracy of an optimized smaller model. Extensive experiments demonstrate that RaDME achieves both accurate and adequate reasoning while supporting high-quality multi-trait scoring, significantly enhancing the transparency of AES.
☆ Structured Preference Optimization for Vision-Language Long-Horizon Task Planning
Existing methods for vision-language task planning excel in short-horizon tasks but often fall short in complex, long-horizon planning within dynamic environments. These challenges primarily arise from the difficulty of effectively training models to produce high-quality reasoning processes for long-horizon tasks. To address this, we propose Structured Preference Optimization (SPO), which aims to enhance reasoning and action selection in long-horizon task planning through structured preference evaluation and optimized training strategies. Specifically, SPO introduces: 1) Preference-Based Scoring and Optimization, which systematically evaluates reasoning chains based on task relevance, visual grounding, and historical consistency; and 2) Curriculum-Guided Training, where the model progressively adapts from simple to complex tasks, improving its generalization ability in long-horizon scenarios and enhancing reasoning robustness. To advance research in vision-language long-horizon task planning, we introduce ExtendaBench, a comprehensive benchmark covering 1,509 tasks across VirtualHome and Habitat 2.0, categorized into ultra-short, short, medium, and long tasks. Experimental results demonstrate that SPO significantly improves reasoning quality and final decision accuracy, outperforming prior methods on long-horizon tasks and underscoring the effectiveness of preference-driven optimization in vision-language task planning. Specifically, SPO achieves a +5.98% GCR and +4.68% SR improvement in VirtualHome and a +3.30% GCR and +2.11% SR improvement in Habitat over the best-performing baselines.
comment: 18 pages
☆ Retrieval Backward Attention without Additional Training: Enhance Embeddings of Large Language Models via Repetition
Language models can be viewed as functions that embed text into Euclidean space, where the quality of the embedding vectors directly determines model performance, training such neural networks involves various uncertainties. This paper focuses on improving the performance of pre-trained language models in zero-shot settings through a simple and easily implementable method. We propose a novel backward attention mechanism to enhance contextual information encoding. Evaluated on the Chinese Massive Text Embedding Benchmark (C-MTEB), our approach achieves significant improvements across multiple tasks, providing valuable insights for advancing zero-shot learning capabilities.
☆ ProAI: Proactive Multi-Agent Conversational AI with Structured Knowledge Base for Psychiatric Diagnosis
Most LLM-driven conversational AI systems operate reactively, responding to user prompts without guiding the interaction. Most LLM-driven conversational AI systems operate reactively, responding to user prompts without guiding the interaction. However, many real-world applications-such as psychiatric diagnosis, consulting, and interviews-require AI to take a proactive role, asking the right questions and steering conversations toward specific objectives. Using mental health differential diagnosis as an application context, we introduce ProAI, a goal-oriented, proactive conversational AI framework. ProAI integrates structured knowledge-guided memory, multi-agent proactive reasoning, and a multi-faceted evaluation strategy, enabling LLMs to engage in clinician-style diagnostic reasoning rather than simple response generation. Through simulated patient interactions, user experience assessment, and professional clinical validation, we demonstrate that ProAI achieves up to 83.3% accuracy in mental disorder differential diagnosis while maintaining professional and empathetic interaction standards. These results highlight the potential for more reliable, adaptive, and goal-driven AI diagnostic assistants, advancing LLMs beyond reactive dialogue systems.
comment: 21 pages, 8 figures
☆ JAM: Controllable and Responsible Text Generation via Causal Reasoning and Latent Vector Manipulation
While large language models (LLMs) have made significant strides in generating coherent and contextually relevant text, they often function as opaque black boxes, trained on vast unlabeled datasets with statistical objectives, lacking an interpretable framework for responsible control. In this paper, we introduce JAM (Just A Move), a novel framework that interprets and controls text generation by integrating cause-effect analysis within the latent space of LLMs. Based on our observations, we uncover the inherent causality in LLM generation, which is critical for producing responsible and realistic outputs. Moreover, we explore latent vectors as fundamental components in LLM architectures, aiming to understand and manipulate them for more effective and efficient controllable text generation. We evaluate our framework using a range of tools, including the HHH criteria, toxicity reduction benchmarks, and GPT-4 alignment measures. Our results show that JAM achieves up to a 22% improvement over previous Controllable Text Generation (CTG) methods across multiple quantitative metrics and human-centric evaluations. Furthermore, JAM demonstrates greater computational efficiency compared to other CTG methods. These results highlight the effectiveness and efficiency of JAM for responsible and realistic text generation, paving the way for more interpretable and controllable models.
comment: 10 pages, 3 figures, and 6 tables
☆ Fine-tuning BERT with Bidirectional LSTM for Fine-grained Movie Reviews Sentiment Analysis
Sentiment Analysis (SA) is instrumental in understanding peoples viewpoints facilitating social media monitoring recognizing products and brands and gauging customer satisfaction. Consequently SA has evolved into an active research domain within Natural Language Processing (NLP). Many approaches outlined in the literature devise intricate frameworks aimed at achieving high accuracy, focusing exclusively on either binary sentiment classification or fine-grained sentiment classification. In this paper our objective is to fine-tune the pre-trained BERT model with Bidirectional LSTM (BiLSTM) to enhance both binary and fine-grained SA specifically for movie reviews. Our approach involves conducting sentiment classification for each review followed by computing the overall sentiment polarity across all reviews. We present our findings on binary classification as well as fine-grained classification utilizing benchmark datasets. Additionally we implement and assess two accuracy improvement techniques Synthetic Minority Oversampling Technique (SMOTE) and NLP Augmenter (NLPAUG) to bolster the models generalization in fine-grained sentiment classification. Finally a heuristic algorithm is employed to calculate the overall polarity of predicted reviews from the BERT+BiLSTM output vector. Our approach performs comparably with state-of-the-art (SOTA) techniques in both classifications. For instance in binary classification we achieve 97.67% accuracy surpassing the leading SOTA model NB-weighted-BON+dv-cosine by 0.27% on the renowned IMDb dataset. Conversely for five-class classification on SST-5 while the top SOTA model RoBERTa+large+Self-explaining attains 55.5% accuracy our model achieves 59.48% accuracy surpassing the BERT-large baseline by 3.6%.
comment: 14 pages, 5 figures, published in International Journal On Advances in Systems and Measurements, volume 16, numbers 3 and 4, 2023
☆ Disentangling Feature Structure: A Mathematically Provable Two-Stage Training Dynamics in Transformers
Transformers may exhibit two-stage training dynamics during the real-world training process. For instance, when training GPT-2 on the Counterfact dataset, the answers progress from syntactically incorrect to syntactically correct to semantically correct. However, existing theoretical analyses hardly account for this two-stage phenomenon. In this paper, we theoretically demonstrate how such two-stage training dynamics occur in transformers. Specifically, we analyze the dynamics of transformers using feature learning techniques under in-context learning regimes, based on a disentangled two-type feature structure. Such disentanglement of feature structure is general in practice, e.g., natural languages contain syntax and semantics, and proteins contain primary and secondary structures. To our best known, this is the first rigorous result regarding a two-stage optimization process in transformers. Additionally, a corollary indicates that such a two-stage process is closely related to the spectral properties of the attention weights, which accords well with empirical findings.
☆ Prediction of Item Difficulty for Reading Comprehension Items by Creation of Annotated Item Repository
Prediction of item difficulty based on its text content is of substantial interest. In this paper, we focus on the related problem of recovering IRT-based difficulty when the data originally reported item p-value (percent correct responses). We model this item difficulty using a repository of reading passages and student data from US standardized tests from New York and Texas for grades 3-8 spanning the years 2017-23. This repository is annotated with meta-data on (1) linguistic features of the reading items, (2) test features of the passage, and (3) context features. A penalized regression prediction model with all these features can predict item difficulty with RMSE 0.52 compared to baseline RMSE of 0.92, and with a correlation of 0.77 between true and predicted difficulty. We supplement these features with embeddings from LLMs (ModernBERT, BERT, and LlAMA), which marginally improve item difficulty prediction. When models use only item linguistic features or LLM embeddings, prediction performance is similar, which suggests that only one of these feature categories may be required. This item difficulty prediction model can be used to filter and categorize reading items and will be made publicly available for use by other stakeholders.
☆ Automatic database description generation for Text-to-SQL
In the context of the Text-to-SQL task, table and column descriptions are crucial for bridging the gap between natural language and database schema. This report proposes a method for automatically generating effective database descriptions when explicit descriptions are unavailable. The proposed method employs a dual-process approach: a coarse-to-fine process, followed by a fine-to-coarse process. The coarse-to-fine approach leverages the inherent knowledge of LLM to guide the understanding process from databases to tables and finally to columns. This approach provides a holistic understanding of the database structure and ensures contextual alignment. Conversely, the fine-to-coarse approach starts at the column level, offering a more accurate and nuanced understanding when stepping back to the table level. Experimental results on the Bird benchmark indicate that using descriptions generated by the proposed improves SQL generation accuracy by 0.93\% compared to not using descriptions, and achieves 37\% of human-level performance. The source code is publicly available at https://github.com/XGenerationLab/XiYan-DBDescGen.
☆ Consistency Evaluation of News Article Summaries Generated by Large (and Small) Language Models
Text summarizing is a critical Natural Language Processing (NLP) task with applications ranging from information retrieval to content generation. Large Language Models (LLMs) have shown remarkable promise in generating fluent abstractive summaries but they can produce hallucinated details not grounded in the source text. Regardless of the method of generating a summary, high quality automated evaluations remain an open area of investigation. This paper embarks on an exploration of text summarization with a diverse set of techniques, including TextRank, BART, Mistral-7B-Instruct, and OpenAI GPT-3.5-Turbo. The generated summaries are evaluated using traditional metrics such as the Recall-Oriented Understudy for Gisting Evaluation (ROUGE) Score and Bidirectional Encoder Representations from Transformers (BERT) Score, as well as LLM-powered evaluation methods that directly assess a generated summary's consistency with the source text. We introduce a meta evaluation score which directly assesses the performance of the LLM evaluation system (prompt + model). We find that that all summarization models produce consistent summaries when tested on the XL-Sum dataset, exceeding the consistency of the reference summaries.
comment: 21 pages, 6 figures, 4 tables
☆ LexRAG: Benchmarking Retrieval-Augmented Generation in Multi-Turn Legal Consultation Conversation
Retrieval-augmented generation (RAG) has proven highly effective in improving large language models (LLMs) across various domains. However, there is no benchmark specifically designed to assess the effectiveness of RAG in the legal domain, which restricts progress in this area. To fill this gap, we propose LexRAG, the first benchmark to evaluate RAG systems for multi-turn legal consultations. LexRAG consists of 1,013 multi-turn dialogue samples and 17,228 candidate legal articles. Each sample is annotated by legal experts and consists of five rounds of progressive questioning. LexRAG includes two key tasks: (1) Conversational knowledge retrieval, requiring accurate retrieval of relevant legal articles based on multi-turn context. (2) Response generation, focusing on producing legally sound answers. To ensure reliable reproducibility, we develop LexiT, a legal RAG toolkit that provides a comprehensive implementation of RAG system components tailored for the legal domain. Additionally, we introduce an LLM-as-a-judge evaluation pipeline to enable detailed and effective assessment. Through experimental analysis of various LLMs and retrieval methods, we reveal the key limitations of existing RAG systems in handling legal consultation conversations. LexRAG establishes a new benchmark for the practical application of RAG systems in the legal domain, with its code and data available at https://github.com/CSHaitao/LexRAG.
comment: 10 pages
☆ Rectifying Belief Space via Unlearning to Harness LLMs' Reasoning
Large language models (LLMs) can exhibit advanced reasoning yet still generate incorrect answers. We hypothesize that such errors frequently stem from spurious beliefs, propositions the model internally considers true but are incorrect. To address this, we propose a method to rectify the belief space by suppressing these spurious beliefs while simultaneously enhancing true ones, thereby enabling more reliable inferences. Our approach first identifies the beliefs that lead to incorrect or correct answers by prompting the model to generate textual explanations, using our Forward-Backward Beam Search (FBBS). We then apply unlearning to suppress the identified spurious beliefs and enhance the true ones, effectively rectifying the model's belief space. Empirical results on multiple QA datasets and LLMs show that our method corrects previously misanswered questions without harming overall model performance. Furthermore, our approach yields improved generalization on unseen data, suggesting that rectifying a model's belief space is a promising direction for mitigating errors and enhancing overall reliability.
☆ Continuous Adversarial Text Representation Learning for Affective Recognition
While pre-trained language models excel at semantic understanding, they often struggle to capture nuanced affective information critical for affective recognition tasks. To address these limitations, we propose a novel framework for enhancing emotion-aware embeddings in transformer-based models. Our approach introduces a continuous valence-arousal labeling system to guide contrastive learning, which captures subtle and multi-dimensional emotional nuances more effectively. Furthermore, we employ a dynamic token perturbation mechanism, using gradient-based saliency to focus on sentiment-relevant tokens, improving model sensitivity to emotional cues. The experimental results demonstrate that the proposed framework outperforms existing methods, achieving up to 15.5% improvement in the emotion classification benchmark, highlighting the importance of employing continuous labels. This improvement demonstrates that the proposed framework is effective in affective representation learning and enables precise and contextually relevant emotional understanding.
comment: 6 pages, 3 figures, The 7th International Conference on Artificial Intelligence in Information and Communication (ICAIIC 2025)
☆ Leveraging Large Language Models for Building Interpretable Rule-Based Data-to-Text Systems
We introduce a simple approach that uses a large language model (LLM) to automatically implement a fully interpretable rule-based data-to-text system in pure Python. Experimental evaluation on the WebNLG dataset showed that such a constructed system produces text of better quality (according to the BLEU and BLEURT metrics) than the same LLM prompted to directly produce outputs, and produces fewer hallucinations than a BART language model fine-tuned on the same data. Furthermore, at runtime, the approach generates text in a fraction of the processing time required by neural approaches, using only a single CPU
☆ NutriGen: Personalized Meal Plan Generator Leveraging Large Language Models to Enhance Dietary and Nutritional Adherence
Maintaining a balanced diet is essential for overall health, yet many individuals struggle with meal planning due to nutritional complexity, time constraints, and lack of dietary knowledge. Personalized food recommendations can help address these challenges by tailoring meal plans to individual preferences, habits, and dietary restrictions. However, existing dietary recommendation systems often lack adaptability, fail to consider real-world constraints such as food ingredient availability, and require extensive user input, making them impractical for sustainable and scalable daily use. To address these limitations, we introduce NutriGen, a framework based on large language models (LLM) designed to generate personalized meal plans that align with user-defined dietary preferences and constraints. By building a personalized nutrition database and leveraging prompt engineering, our approach enables LLMs to incorporate reliable nutritional references like the USDA nutrition database while maintaining flexibility and ease-of-use. We demonstrate that LLMs have strong potential in generating accurate and user-friendly food recommendations, addressing key limitations in existing dietary recommendation systems by providing structured, practical, and scalable meal plans. Our evaluation shows that Llama 3.1 8B and GPT-3.5 Turbo achieve the lowest percentage errors of 1.55\% and 3.68\%, respectively, producing meal plans that closely align with user-defined caloric targets while minimizing deviation and improving precision. Additionally, we compared the performance of DeepSeek V3 against several established models to evaluate its potential in personalized nutrition planning.
♻ ☆ The GUS Framework: Benchmarking Social Bias Classification with Discriminative (Encoder-Only) and Generative (Decoder-Only) Language Models
The detection of social bias in text is a critical challenge, particularly due to the limitations of binary classification methods. These methods often oversimplify nuanced biases, leading to high emotional impact when content is misclassified as either "biased" or "fair." To address these shortcomings, we propose a more nuanced framework that focuses on three key linguistic components underlying social bias: Generalizations, Unfairness, and Stereotypes (the GUS framework). The GUS framework employs a semi-automated approach to create a comprehensive synthetic dataset, which is then verified by humans to maintain ethical standards. This dataset enables robust multi-label token classification. Our methodology, which combines discriminative (encoder-only) models and generative (auto-regressive large language models), identifies biased entities in text. Through extensive experiments, we demonstrate that encoder-only models are effective for this complex task, often outperforming state-of-the-art methods, both in terms of macro and entity-wise F1-score and Hamming loss. These findings can guide the choice of model for different use cases, highlighting the GUS framework's effectiveness in capturing explicit and implicit biases across diverse contexts, and offering a pathway for future research and applications in various fields.
♻ ☆ Can Large Language Models Predict the Outcome of Judicial Decisions?
Large Language Models (LLMs) have shown exceptional capabilities in Natural Language Processing (NLP) across diverse domains. However, their application in specialized tasks such as Legal Judgment Prediction (LJP) for low-resource languages like Arabic remains underexplored. In this work, we address this gap by developing an Arabic LJP dataset, collected and preprocessed from Saudi commercial court judgments. We benchmark state-of-the-art open-source LLMs, including LLaMA-3.2-3B and LLaMA-3.1-8B, under varying configurations such as zero-shot, one-shot, and fine-tuning using LoRA. Additionally, we employed a comprehensive evaluation framework that integrates both quantitative metrics (such as BLEU, ROUGE, and BERT) and qualitative assessments (including Coherence, Legal Language, Clarity, etc.) using an LLM. Our results demonstrate that fine-tuned smaller models achieve comparable performance to larger models in task-specific contexts while offering significant resource efficiency. Furthermore, we investigate the impact of fine-tuning the model on a diverse set of instructions, offering valuable insights into the development of a more human-centric and adaptable LLM. We have made the dataset, code, and models publicly available to provide a solid foundation for future research in Arabic legal NLP.
♻ ☆ Explaining Humour Style Classifications: An XAI Approach to Understanding Computational Humour Analysis
Humour styles can have either a negative or a positive impact on well-being. Given the importance of these styles to mental health, significant research has been conducted on their automatic identification. However, the automated machine learning models used for this purpose are black boxes, making their prediction decisions opaque. Clarity and transparency are vital in the field of mental health. This paper presents an explainable AI (XAI) framework for understanding humour style classification, building upon previous work in computational humour analysis. Using the best-performing single model (ALI+XGBoost) from prior research, we apply comprehensive XAI techniques to analyse how linguistic, emotional, and semantic features contribute to humour style classification decisions. Our analysis reveals distinct patterns in how different humour styles are characterised and misclassified, with particular emphasis on the challenges in distinguishing affiliative humour from other styles. Through detailed examination of feature importance, error patterns, and misclassification cases, we identify key factors influencing model decisions, including emotional ambiguity, context misinterpretation, and target identification. The framework demonstrates significant utility in understanding model behaviour, achieving interpretable insights into the complex interplay of features that define different humour styles. Our findings contribute to both the theoretical understanding of computational humour analysis and practical applications in mental health, content moderation, and digital humanities research.
♻ ☆ Logicbreaks: A Framework for Understanding Subversion of Rule-based Inference
We study how to subvert large language models (LLMs) from following prompt-specified rules. We first formalize rule-following as inference in propositional Horn logic, a mathematical system in which rules have the form "if $P$ and $Q$, then $R$" for some propositions $P$, $Q$, and $R$. Next, we prove that although small transformers can faithfully follow such rules, maliciously crafted prompts can still mislead both theoretical constructions and models learned from data. Furthermore, we demonstrate that popular attack algorithms on LLMs find adversarial prompts and induce attention patterns that align with our theory. Our novel logic-based framework provides a foundation for studying LLMs in rule-based settings, enabling a formal analysis of tasks like logical reasoning and jailbreak attacks.
♻ ☆ Logical Consistency of Large Language Models in Fact-checking ICLR 2025
In recent years, large language models (LLMs) have demonstrated significant success in performing varied natural language tasks such as language translation, question-answering, summarizing, fact-checking, etc. Despite LLMs' impressive ability to generate human-like texts, LLMs are infamous for their inconsistent responses - a meaning-preserving change in the input query results in an inconsistent response and attributes to vulnerabilities of LLMs such as hallucination. Consequently, existing research focuses on simple paraphrasing-based consistency assessment of LLMs, and ignores complex queries that necessitate an even better understanding of logical reasoning by an LLM. Our work therefore addresses the logical inconsistency of LLMs under complex logical queries with primitive logical operators, e.g., negation, conjunction, and disjunction. As a test bed, we consider retrieval-augmented LLMs on a fact-checking task involving propositional logic queries from knowledge graphs (KGs). Our contributions are threefold. Benchmark: We introduce three logical fact-checking datasets over KGs for community development towards logically consistent LLMs. Assessment: We propose consistency measures of LLMs on propositional logic queries and demonstrate that existing LLMs lack logical consistency, especially on complex queries. Improvement: We employ supervised fine-tuning to improve the logical consistency of LLMs on the complex fact-checking task with KG contexts. We have made our source code and benchmarks available.
comment: Published at ICLR 2025
♻ ☆ Relaxed Recursive Transformers: Effective Parameter Sharing with Layer-wise LoRA ICLR 2025
Large language models (LLMs) are expensive to deploy. Parameter sharing offers a possible path towards reducing their size and cost, but its effectiveness in modern LLMs remains fairly limited. In this work, we revisit "layer tying" as form of parameter sharing in Transformers, and introduce novel methods for converting existing LLMs into smaller "Recursive Transformers" that share parameters across layers, with minimal loss of performance. Here, our Recursive Transformers are efficiently initialized from standard pretrained Transformers, but only use a single block of unique layers that is then repeated multiple times in a loop. We further improve performance by introducing Relaxed Recursive Transformers that add flexibility to the layer tying constraint via depth-wise low-rank adaptation (LoRA) modules, yet still preserve the compactness of the overall model. We show that our recursive models (e.g., recursive Gemma 1B) outperform both similar-sized vanilla pretrained models (such as TinyLlama 1.1B and Pythia 1B) and knowledge distillation baselines -- and can even recover most of the performance of the original "full-size" model (e.g., Gemma 2B with no shared parameters). Finally, we propose Continuous Depth-wise Batching, a promising new inference paradigm enabled by the Recursive Transformer when paired with early exiting. In a theoretical analysis, we show that this has the potential to lead to significant (2-3x) gains in inference throughput.
comment: ICLR 2025; 49 pages, 17 figures, 19 tables
♻ ☆ Atomas: Hierarchical Alignment on Molecule-Text for Unified Molecule Understanding and Generation
Molecule-and-text cross-modal representation learning has emerged as a promising direction for enhancing the quality of molecular representation, thereby improving performance in various scientific fields, including drug discovery and materials science. Existing studies adopt a global alignment approach to learn the knowledge from different modalities. These global alignment approaches fail to capture fine-grained information, such as molecular fragments and their corresponding textual description, which is crucial for downstream tasks. Furthermore, it is incapable to model such information using a similar global alignment strategy due to data scarcity of paired local part annotated data from existing datasets. In this paper, we propose Atomas, a multi-modal molecular representation learning framework to jointly learn representations from SMILES string and text. We design a Hierarchical Adaptive Alignment model to concurrently learn the fine-grained fragment correspondence between two modalities and align these representations of fragments in three levels. Additionally, Atomas's end-to-end training framework incorporates the tasks of understanding and generating molecule, thereby supporting a wider range of downstream tasks. In the retrieval task, Atomas exhibits robust generalization ability and outperforms the baseline by 30.8% of recall@1 on average. In the generation task, Atomas achieves state-of-the-art results in both molecule captioning task and molecule generation task. Moreover, the visualization of the Hierarchical Adaptive Alignment model further confirms the chemical significance of our approach. Our codes can be found at https://anonymous.4open.science/r/Atomas-03C3.
♻ ☆ You Only Prune Once: Designing Calibration-Free Model Compression With Policy Learning
The ever-increasing size of large language models (LLMs) presents significant challenges for deployment due to their heavy computational and memory requirements. Current model pruning techniques attempt to alleviate these issues by relying heavily on external calibration datasets to determine which parameters to prune or compress, thus limiting their flexibility and scalability across different compression ratios. Moreover, these methods often cause severe performance degradation, particularly in downstream tasks, when subjected to higher compression rates. In this paper, we propose PruneNet, a novel model compression method that addresses these limitations by reformulating model pruning as a policy learning process. PruneNet decouples the pruning process from the model architecture, eliminating the need for calibration datasets. It learns a stochastic pruning policy to assess parameter importance solely based on intrinsic model properties while preserving the spectral structure to minimize information loss. PruneNet can compress the LLaMA-2-7B model in just 15 minutes, achieving over 80% retention of its zero-shot performance with a 30% compression ratio, outperforming existing methods that retain only 75% performance. Furthermore, on complex multitask language understanding tasks, PruneNet demonstrates its robustness by preserving up to 80% performance of the original model, proving itself a superior alternative to conventional structured compression techniques.
♻ ☆ CS-Bench: A Comprehensive Benchmark for Large Language Models towards Computer Science Mastery ICLR 2025
Large language models (LLMs) have demonstrated significant potential in advancing various fields of research and society. However, the current community of LLMs overly focuses on benchmarks for analyzing specific foundational skills (e.g. mathematics and code generation), neglecting an all-round evaluation of the computer science field. To bridge this gap, we introduce CS-Bench, the first multilingual (English, Chinese, French, German) benchmark dedicated to evaluating the performance of LLMs in computer science. CS-Bench comprises approximately 10K meticulously curated test samples, covering 26 subfields across 4 key areas of computer science, encompassing various task forms and divisions of knowledge and reasoning. Utilizing CS-Bench, we conduct a comprehensive evaluation of over 30 mainstream LLMs, revealing the relationship between CS performance and model scales. We also quantitatively analyze the reasons for failures in existing LLMs and highlight directions for improvements, including knowledge supplementation and CS-specific reasoning. Further cross-capability experiments show a high correlation between LLMs' capabilities in computer science and their abilities in mathematics and coding. Moreover, expert LLMs specialized in mathematics and coding also demonstrate strong performances in several CS subfields. Looking ahead, we envision CS-Bench serving as a cornerstone for LLM applications in the CS field and paving new avenues in assessing LLMs' diverse reasoning capabilities. The CS-Bench data and evaluation code are available at https://github.com/csbench/csbench.
comment: Accepted at ICLR 2025
♻ ☆ SPAM: Spike-Aware Adam with Momentum Reset for Stable LLM Training
Large Language Models (LLMs) have demonstrated exceptional performance across diverse tasks, yet their training remains highly resource-intensive and susceptible to critical challenges such as training instability. A predominant source of this instability stems from gradient and loss spikes, which disrupt the learning process, often leading to costly interventions like checkpoint recovery and experiment restarts, further amplifying inefficiencies. This paper presents a comprehensive investigation into gradient spikes observed during LLM training, revealing their prevalence across multiple architectures and datasets. Our analysis shows that these spikes can be up to $1000\times$ larger than typical gradients, substantially deteriorating model performance. To address this issue, we propose Spike-Aware Adam with Momentum Reset SPAM, a novel optimizer designed to counteract gradient spikes through momentum reset and spike-aware gradient clipping. Extensive experiments, including both pre-training and fine-tuning, demonstrate that SPAM consistently surpasses Adam and its variants across various tasks, including (1) LLM pre-training from 60M to 1B, (2) 4-bit LLM pre-training,(3) reinforcement learning, and (4) Time Series Forecasting. Additionally, SPAM facilitates memory-efficient training by enabling sparse momentum, where only a subset of momentum terms are maintained and updated. When operating under memory constraints, SPAM outperforms state-of-the-art memory-efficient optimizers such as GaLore and Adam-Mini. Our work underscores the importance of mitigating gradient spikes in LLM training and introduces an effective optimization strategy that enhances both training stability and resource efficiency at scale. Code is available at https://github.com/TianjinYellow/SPAM-Optimizer.git
♻ ☆ GOAT-Bench: Safety Insights to Large Multimodal Models through Meme-Based Social Abuse
The exponential growth of social media has profoundly transformed how information is created, disseminated, and absorbed, exceeding any precedent in the digital age. Regrettably, this explosion has also spawned a significant increase in the online abuse of memes. Evaluating the negative impact of memes is notably challenging, owing to their often subtle and implicit meanings, which are not directly conveyed through the overt text and image. In light of this, large multimodal models (LMMs) have emerged as a focal point of interest due to their remarkable capabilities in handling diverse multimodal tasks. In response to this development, our paper aims to thoroughly examine the capacity of various LMMs (e.g., GPT-4o) to discern and respond to the nuanced aspects of social abuse manifested in memes. We introduce the comprehensive meme benchmark, GOAT-Bench, comprising over 6K varied memes encapsulating themes such as implicit hate speech, sexism, and cyberbullying, etc. Utilizing GOAT-Bench, we delve into the ability of LMMs to accurately assess hatefulness, misogyny, offensiveness, sarcasm, and harmful content. Our extensive experiments across a range of LMMs reveal that current models still exhibit a deficiency in safety awareness, showing insensitivity to various forms of implicit abuse. We posit that this shortfall represents a critical impediment to the realization of safe artificial intelligence. The GOAT-Bench and accompanying resources are publicly accessible at https://goatlmm.github.io/, contributing to ongoing research in this vital field.
comment: The first work to benchmark Large Multimodal Models in safety insight on social media
♻ ☆ AdEval: Alignment-based Dynamic Evaluation to Mitigate Data Contamination in Large Language Models
As Large Language Models (LLMs) are pretrained on massive-scale corpora, the issue of data contamination has become increasingly severe, leading to potential overestimation of model performance during evaluation. To address this, we propose AdEval (Alignment-based Dynamic Evaluation), a dynamic data evaluation method aimed at mitigating the impact of data contamination on evaluation reliability. AdEval extracts key knowledge points and main ideas to align dynamically generated questions with static data's core concepts. It also leverages online search to provide detailed explanations of related knowledge points, thereby creating high-quality evaluation samples with robust knowledge support. Furthermore, AdEval incorporates mechanisms to control the number and complexity of questions, enabling dynamic alignment and flexible adjustment. This ensures that the generated questions align with the complexity of static data while supporting varied complexity levels. Based on Bloom's taxonomy, AdEval conducts a multi-dimensional evaluation of LLMs across six cognitive levels: remembering, understanding, applying, analyzing, evaluating, and creating. Experimental results on multiple datasets demonstrate that AdEval effectively reduces the impact of data contamination on evaluation outcomes, enhancing both the fairness and reliability of the evaluation process.
comment: There are serious academic problems in this paper, such as data falsification and plagiarism in the method of the paper
♻ ☆ Are All Spanish Doctors Male? Evaluating Gender Bias in German Machine Translation ISCA
We present WinoMTDE, a new gender bias evaluation test set designed to assess occupational stereotyping and underrepresentation in German machine translation (MT) systems. Building on the automatic evaluation method introduced by arXiv:1906.00591v1, we extend the approach to German, a language with grammatical gender. The WinoMTDE dataset comprises 288 German sentences that are balanced in regard to gender, as well as stereotype, which was annotated using German labor statistics. We conduct a large-scale evaluation of five widely used MT systems and a large language model. Our results reveal persistent bias in most models, with the LLM outperforming traditional systems. The dataset and evaluation code are publicly available under https://github.com/michellekappl/mt_gender_german.
comment: ISCA/ITG Workshop on Diversity in Large Speech and Language Models
Learning diverse attacks on large language models for robust red-teaming and safety tuning ICLR 2025
Red-teaming, or identifying prompts that elicit harmful responses, is a critical step in ensuring the safe and responsible deployment of large language models (LLMs). Developing effective protection against many modes of attack prompts requires discovering diverse attacks. Automated red-teaming typically uses reinforcement learning to fine-tune an attacker language model to generate prompts that elicit undesirable responses from a target LLM, as measured, for example, by an auxiliary toxicity classifier. We show that even with explicit regularization to favor novelty and diversity, existing approaches suffer from mode collapse or fail to generate effective attacks. As a flexible and probabilistically principled alternative, we propose to use GFlowNet fine-tuning, followed by a secondary smoothing phase, to train the attacker model to generate diverse and effective attack prompts. We find that the attacks generated by our method are effective against a wide range of target LLMs, both with and without safety tuning, and transfer well between target LLMs. Finally, we demonstrate that models safety-tuned using a dataset of red-teaming prompts generated by our method are robust to attacks from other RL-based red-teaming approaches.
comment: ICLR 2025
♻ ☆ Kanana: Compute-efficient Bilingual Language Models
We introduce Kanana, a series of bilingual language models that demonstrate exceeding performance in Korean and competitive performance in English. The computational cost of Kanana is significantly lower than that of state-of-the-art models of similar size. The report details the techniques employed during pre-training to achieve compute-efficient yet competitive models, including high quality data filtering, staged pre-training, depth up-scaling, and pruning and distillation. Furthermore, the report outlines the methodologies utilized during the post-training of the Kanana models, encompassing supervised fine-tuning and preference optimization, aimed at enhancing their capability for seamless interaction with users. Lastly, the report elaborates on plausible approaches used for language model adaptation to specific scenarios, such as embedding, retrieval augmented generation, and function calling. The Kanana model series spans from 2.1B to 32.5B parameters with 2.1B models (base, instruct, embedding) publicly released to promote research on Korean language models.
comment: 40 pages, 15 figures
♻ ☆ Super(ficial)-alignment: Strong Models May Deceive Weak Models in Weak-to-Strong Generalization ICLR 2025
Superalignment, where humans act as weak supervisors for superhuman models, has become a crucial problem with the rapid development of Large Language Models (LLMs). Recent work has preliminarily studied this problem by using weak models to supervise strong models, and discovered that weakly supervised strong students can consistently outperform weak teachers towards the alignment target, leading to a weak-to-strong generalization phenomenon. However, we are concerned that behind such a promising phenomenon, whether there exists an issue of weak-to-strong deception, where strong models deceive weak models by exhibiting well-aligned in areas known to weak models but producing misaligned behaviors in cases weak models do not know. We take an initial step towards exploring this security issue in a specific but realistic multi-objective alignment case, where there may be some alignment targets conflicting with each other (e.g., helpfulness v.s. harmlessness). We aim to explore whether, in such cases, strong models might deliberately make mistakes in areas known to them but unknown to weak models within one alignment dimension, in exchange for a higher reward in another dimension. Through extensive experiments in both the reward modeling and preference optimization scenarios, we find: (1) The weak-to-strong deception phenomenon exists across all settings. (2) The deception intensifies as the capability gap between weak and strong models increases. (3) Bootstrapping with an intermediate model can mitigate the deception to some extent, though its effectiveness remains limited. Our work highlights the urgent need to pay more attention to the true reliability of superalignment.
comment: Accepted at ICLR 2025, camera-ready version
♻ ☆ Pragmatic Reasoning improves LLM Code Generation
Large Language Models (LLMs) have demonstrated impressive potential in translating natural language (NL) instructions into program code. However, user instructions often contain inherent ambiguities, making it challenging for LLMs to generate code that accurately reflects the user's true intent. To address this challenge, researchers have proposed to produce multiple candidates of the program code and then rerank them to identify the best solution. In this paper, we propose CodeRSA, a novel code candidate reranking mechanism built upon the Rational Speech Act (RSA) framework, designed to guide LLMs toward more comprehensive pragmatic reasoning about user intent. We evaluate CodeRSA using one of the latest LLMs on a popular code generation dataset. Our experiment results show that CodeRSA consistently outperforms common baselines, surpasses the state-of-the-art approach in most cases, and demonstrates robust overall performance. These findings underscore the effectiveness of integrating pragmatic reasoning into code candidate reranking, offering a promising direction for enhancing code generation quality in LLMs.
♻ ☆ ChartMimic: Evaluating LMM's Cross-Modal Reasoning Capability via Chart-to-Code Generation ICLR 2025
We introduce a new benchmark, ChartMimic, aimed at assessing the visually-grounded code generation capabilities of large multimodal models (LMMs). ChartMimic utilizes information-intensive visual charts and textual instructions as inputs, requiring LMMs to generate the corresponding code for chart rendering. ChartMimic includes 4,800 human-curated (figure, instruction, code) triplets, which represent the authentic chart use cases found in scientific papers across various domains (e.g., Physics, Computer Science, Economics, etc). These charts span 18 regular types and 4 advanced types, diversifying into 201 subcategories. Furthermore, we propose multi-level evaluation metrics to provide an automatic and thorough assessment of the output code and the rendered charts. Unlike existing code generation benchmarks, ChartMimic places emphasis on evaluating LMMs' capacity to harmonize a blend of cognitive capabilities, encompassing visual understanding, code generation, and cross-modal reasoning. The evaluation of $3$ proprietary models and 14 open-weight models highlights the substantial challenges posed by ChartMimic. Even the advanced GPT-4o, InternVL2-Llama3-76B only achieved an average score across Direct Mimic and Customized Mimic tasks of 82.2 and 61.6, respectively, indicating significant room for improvement. We anticipate that ChartMimic will inspire the development of LMMs, advancing the pursuit of artificial general intelligence.
comment: Accepted to ICLR 2025. Data and code are available at https://github.com/ChartMimic/ChartMimic
♻ ☆ SelectLLM: Query-Aware Efficient Selection Algorithm for Large Language Models
Large language models (LLMs) have been widely adopted due to their remarkable performance across various applications, driving the accelerated development of a large number of diverse models. However, these individual LLMs show limitations in generalization and performance on complex tasks due to inherent training biases, model size constraints, and the quality or diversity of pre-training datasets. A promising direction is to efficiently harness the diverse capabilities of LLMs to overcome these individual limitations. To address these limitations, we introduce a novel LLM selection algorithm called SelectLLM, which efficiently directs input queries to the most suitable subset of LLMs from a large pool, ensuring that the selected models collectively provide accurate responses. SelectLLM employs a multi-label classifier and policy based on the classifier's predictions and confidence scores in selecting an optimal, query-aware, and lightweight subset of LLMs. Our findings indicate that the proposed model outperforms existing ensemble-based baselines and achieves competitive performance with similarly sized top-performing LLMs while maintaining efficiency. Specifically, it achieves a huge reduction in inference latency on two challenging reasoning benchmarks: 13% on GSM8K and 70% on MMLU, compared to the top-performing baseline. Also, we establish a theoretical upper bound by an Oracle with LLMs and perform an in-depth linguistic analysis to understand the performance gap between the Oracle and SelectLLM.
comment: 8 pages
♻ ☆ Training-Free Exponential Context Extension via Cascading KV Cache
The transformer's context window is vital for tasks such as few-shot learning and conditional generation as it preserves previous tokens for active memory. However, as the context lengths increase, the computational costs grow quadratically, hindering the deployment of large language models (LLMs) in real-world, long sequence scenarios. Although some recent key-value caching (KV Cache) methods offer linear inference complexity, they naively manage the stored context, prematurely evicting tokens and losing valuable information. Moreover, they lack an optimized prefill/prompt stage strategy, resulting in higher latency than even quadratic attention for realistic context sizes. In response, we introduce a novel mechanism that leverages cascading sub-cache buffers to selectively retain the most relevant tokens, enabling the model to maintain longer context histories without increasing the cache size. Our approach outperforms linear caching baselines across key benchmarks, including streaming perplexity, question answering, book summarization, and passkey retrieval, where it retains better retrieval accuracy at 1M tokens after four doublings of the cache size of 65K. Additionally, our method reduces prefill stage latency by a factor of 6.8 when compared to flash attention on 1M tokens. These innovations not only enhance the computational efficiency of LLMs but also pave the way for their effective deployment in resource-constrained environments, enabling large-scale, real-time applications with significantly reduced latency.
♻ ☆ LLM2: Let Large Language Models Harness System 2 Reasoning NAACL 2025
Large language models (LLMs) have exhibited impressive capabilities across a myriad of tasks, yet they occasionally yield undesirable outputs. We posit that these limitations are rooted in the foundational autoregressive architecture of LLMs, which inherently lacks mechanisms for differentiating between desirable and undesirable results. Drawing inspiration from the dual-process theory of human cognition, we introduce LLM2, a novel framework that combines an LLM (System 1) with a process-based verifier (System 2). Within LLM2, the LLM is responsible for generating plausible candidates, while the verifier provides timely process-based feedback to distinguish desirable and undesirable outputs. The verifier is trained with a pairwise comparison loss on synthetic process-supervision data generated through our token quality exploration strategy. Empirical results on mathematical reasoning benchmarks substantiate the efficacy of LLM2, exemplified by an accuracy enhancement from 50.3 to 57.8 (+7.5) for Llama3-1B on GSM8K. Furthermore, when combined with self-consistency, LLM2 achieves additional improvements, boosting major@20 accuracy from 56.2 to 70.2 (+14.0).
comment: Accepted to NAACL 2025 Main Conference
♻ ☆ Behind the Tip of Efficiency: Uncovering the Submerged Threats of Jailbreak Attacks in Small Language Models
Small language models (SLMs) have become increasingly prominent in the deployment on edge devices due to their high efficiency and low computational cost. While researchers continue to advance the capabilities of SLMs through innovative training strategies and model compression techniques, the security risks of SLMs have received considerably less attention compared to large language models (LLMs).To fill this gap, we provide a comprehensive empirical study to evaluate the security performance of 13 state-of-the-art SLMs under various jailbreak attacks. Our experiments demonstrate that most SLMs are quite susceptible to existing jailbreak attacks, while some of them are even vulnerable to direct harmful prompts.To address the safety concerns, we evaluate several representative defense methods and demonstrate their effectiveness in enhancing the security of SLMs. We further analyze the potential security degradation caused by different SLM techniques including architecture compression, quantization, knowledge distillation, and so on. We expect that our research can highlight the security challenges of SLMs and provide valuable insights to future work in developing more robust and secure SLMs.
comment: 12 pages. 6 figures
♻ ☆ MiCEval: Unveiling Multimodal Chain of Thought's Quality via Image Description and Reasoning Steps NAACL 2025
Multimodal Chain of Thought (MCoT) is a popular prompting strategy for improving the performance of multimodal large language models (MLLMs) across a range of complex reasoning tasks. Despite its popularity, there is a notable absence of automated methods for evaluating the quality of reasoning steps in MCoT. To address this gap, we propose Multimodal Chain-of-Thought Evaluation (MiCEval), a framework designed to assess the correctness of reasoning chains by evaluating the quality of both the description and each reasoning step. The evaluation of the description component focuses on the accuracy of the image descriptions, while the reasoning step evaluates the quality of each step as it is conditionally generated based on the preceding steps. MiCEval is built upon a fine-grained dataset with annotations that rate each step according to correctness, relevance, and informativeness. Extensive experiments on four state-of-the-art MLLMs show that step-wise evaluations using MiCEval align more closely with human judgments compared to existing methods based on cosine similarity or fine-tuning approaches. MiCEval datasets and code can be found in https://github.com/alenai97/MiCEval.
comment: NAACL 2025
♻ ☆ DropBP: Accelerating Fine-Tuning of Large Language Models by Dropping Backward Propagation
Large language models (LLMs) have achieved significant success across various domains. However, training these LLMs typically involves substantial memory and computational costs during both forward and backward propagation. While parameter-efficient fine-tuning (PEFT) considerably reduces the training memory associated with parameters, it does not address the significant computational costs and activation memory. In this paper, we propose Dropping Backward Propagation (DropBP), a novel approach designed to reduce computational costs and activation memory while maintaining accuracy. DropBP randomly drops layers during backward propagation, which is essentially equivalent to training shallow submodules generated by undropped layers and residual connections. Additionally, DropBP calculates the sensitivity of each layer to assign an appropriate drop rate, thereby stabilizing the training process. DropBP is not only applicable to full fine-tuning but can also be orthogonally integrated with all types of PEFT by dropping layers during backward propagation. Specifically, DropBP can reduce training time by 44% with comparable accuracy to the baseline, accelerate convergence to the same perplexity by 1.5x, and enable training with a sequence length 6.2x larger on a single NVIDIA-A100 GPU. Furthermore, our DropBP enabled a throughput increase of 79% on a NVIDIA A100 GPU and 117% on an Intel Gaudi2 HPU. The code is available at https://github.com/WooSunghyeon/dropbp.
♻ ☆ ForecastBench: A Dynamic Benchmark of AI Forecasting Capabilities
Forecasts of future events are essential inputs into informed decision-making. Machine learning (ML) systems have the potential to deliver forecasts at scale, but there is no framework for evaluating the accuracy of ML systems on a standardized set of forecasting questions. To address this gap, we introduce ForecastBench: a dynamic benchmark that evaluates the accuracy of ML systems on an automatically generated and regularly updated set of 1,000 forecasting questions. To avoid any possibility of data leakage, ForecastBench is comprised solely of questions about future events that have no known answer at the time of submission. We quantify the capabilities of current ML systems by collecting forecasts from expert (human) forecasters, the general public, and LLMs on a random subset of questions from the benchmark ($N=200$). While LLMs have achieved super-human performance on many benchmarks, they perform less well here: expert forecasters outperform the top-performing LLM ($p$-value $<0.001$). We display system and human scores in a public leaderboard at www.forecastbench.org.
♻ ☆ Explore the Reasoning Capability of LLMs in the Chess Testbed NAACL2025
Reasoning is a central capability of human intelligence. In recent years, with the advent of large-scale datasets, pretrained large language models have emerged with new capabilities, including reasoning. However, these models still struggle with long-term, complex reasoning tasks, such as playing chess. Based on the observation that expert chess players employ a dual approach combining long-term strategic play with short-term tactical play along with language explanation, we propose improving the reasoning capability of large language models in chess by integrating annotated strategy and tactic. Specifically, we collect a dataset named MATE, which consists of 1 million chess positions with candidate moves annotated by chess experts for strategy and tactics. We finetune the LLaMA-3-8B model and compare it against state-of-the-art commercial language models in the task of selecting better chess moves. Our experiments show that our models perform better than GPT, Claude, and Gemini models. We find that language explanations can enhance the reasoning capability of large language models.
comment: NAACL2025 Main Conference. Data and models are available: https://mate-chess.github.io/
♻ ☆ Eliciting In-context Retrieval and Reasoning for Long-context Large Language Models
Recent advancements in long-context language models (LCLMs) promise to transform Retrieval-Augmented Generation (RAG) by simplifying pipelines. With their expanded context windows, LCLMs can process entire knowledge bases and perform retrieval and reasoning directly -- a capability we define as In-Context Retrieval and Reasoning (ICR^2). However, existing benchmarks like LOFT often overestimate LCLM performance by providing overly simplified contexts. To address this, we introduce ICR^2, a benchmark that evaluates LCLMs in more realistic scenarios by including confounding passages retrieved with strong retrievers. We then propose three methods to enhance LCLM performance: (1) retrieve-then-generate fine-tuning, (2) retrieval-attention-probing, which uses attention heads to filter and de-noise long contexts during decoding, and (3) joint retrieval head training alongside the generation head. Our evaluation of five well-known LCLMs on LOFT and ICR^2 demonstrates significant gains with our best approach applied to Mistral-7B: +17 and +15 points by Exact Match on LOFT, and +13 and +2 points on ICR^2, compared to vanilla RAG and supervised fine-tuning, respectively. It even outperforms GPT-4-Turbo on most tasks despite being a much smaller model.
♻ ☆ Do as I do (Safely): Mitigating Task-Specific Fine-tuning Risks in Large Language Models ICLR'25
Recent research shows that fine-tuning on benign instruction-following data can inadvertently undo the safety alignment process and increase a model's propensity to comply with harmful queries. While instruction-following fine-tuning is important, task-specific fine-tuning - where models are trained on datasets with clear ground truth answers (e.g., multiple choice questions) - can enhance model performance on specialized downstream tasks. Understanding and mitigating safety risks in the task-specific setting remains distinct from the instruction-following context due to structural differences in the data. Our work demonstrates how malicious actors can subtly manipulate the structure of almost any task-specific dataset to foster significantly more dangerous model behaviors, while maintaining an appearance of innocuity and reasonable downstream task performance. To address this issue, we propose a novel mitigation strategy that mixes in safety data which mimics the task format and prompting style of the user data, showing this is significantly more effective and efficient than existing baselines at re-establishing safety alignment while maintaining similar task performance.
comment: Accepted to ICLR'25
♻ ☆ Learning Efficient Recursive Numeral Systems via Reinforcement Learning
It has previously been shown that by using reinforcement learning (RL), agents can derive simple approximate and exact-restricted numeral systems that are similar to human ones (Carlsson, 2021). However, it is a major challenge to show how more complex recursive numeral systems, similar to for example English, could arise via a simple learning mechanism such as RL. Here, we introduce an approach towards deriving a mechanistic explanation of the emergence of efficient recursive number systems. We consider pairs of agents learning how to communicate about numerical quantities through a meta-grammar that can be gradually modified throughout the interactions. %We find that the seminal meta-grammar of Hurford (Hurford, 1975) is not suitable for this application as its optimization results in systems that deviate from standard conventions observed within human numeral systems. We propose a simple modification which addresses this issue. Utilising a slightly modified version of the meta-grammar of Hurford, we demonstrate that our RL agents, shaped by the pressures for efficient communication, can effectively modify their lexicon towards Pareto-optimal configurations which are comparable to those observed within human numeral systems in terms of their efficiency.
comment: 8 pages, 5 figures
♻ ☆ Alleviating Distribution Shift in Synthetic Data for Machine Translation Quality Estimation
Quality Estimation (QE) models evaluate the quality of machine translations without reference translations, serving as the reward models for the translation task. Due to the data scarcity, synthetic data generation has emerged as a promising solution. However, synthetic QE data often suffers from distribution shift, which can manifest as discrepancies between pseudo and real translations, or in pseudo labels that do not align with human preferences. To tackle this issue, we introduce ADSQE, a novel framework for alleviating distribution shift in synthetic QE data. To reduce the difference between pseudo and real translations, we employ the constrained beam search algorithm and enhance translation diversity through the use of distinct generation models. ADSQE uses references, i.e., translation supervision signals, to guide both the generation and annotation processes, enhancing the quality of word-level labels. ADSE further identifies the shortest phrase covering consecutive error tokens, mimicking human annotation behavior, to assign the final phrase-level labels. Specially, we underscore that the translation model can not annotate translations of itself accurately. Extensive experiments demonstrate that ADSQE outperforms SOTA baselines like COMET in both supervised and unsupervised settings. Further analysis offers insights into synthetic data generation that could benefit reward models for other tasks.
♻ ☆ Small Models are LLM Knowledge Triggers on Medical Tabular Prediction ICLR 2025
Recent development in large language models (LLMs) has demonstrated impressive domain proficiency on unstructured textual or multi-modal tasks. However, despite with intrinsic world knowledge, their application on structured tabular data prediction still lags behind, primarily due to the numerical insensitivity and modality discrepancy that brings a gap between LLM reasoning and statistical tabular learning. Unlike textual or vision data (e.g., electronic clinical notes or medical imaging data), tabular data is often presented in heterogeneous numerical values (e.g., CBC reports). This ubiquitous data format requires intensive expert annotation, and its numerical nature limits LLMs' capability to effectively transfer untapped domain expertise. In this paper, we propose SERSAL, a general self-prompting method by synergy learning with small models to enhance LLM tabular prediction in an unsupervised manner. Specifically, SERSAL utilizes the LLM's prior outcomes as original soft noisy annotations, which are dynamically leveraged to teach a better small student model. Reversely, the outcomes from the trained small model are used to teach the LLM to further refine its real capability. This process can be repeatedly applied to gradually distill refined knowledge for continuous progress. Comprehensive experiments on widely used medical domain tabular datasets show that, without access to gold labels, applying SERSAL to OpenAI GPT reasoning process attains substantial improvement compared to linguistic prompting methods, which serves as an orthogonal direction for tabular LLM, and increasing prompting bonus is observed as more powerful LLMs appear.
comment: Accepted to ICLR 2025. Codes will be available at https://github.com/jyansir/sersal
♻ ☆ Unlocking State-Tracking in Linear RNNs Through Negative Eigenvalues ICLR
Linear Recurrent Neural Networks (LRNNs) such as Mamba, RWKV, GLA, mLSTM, and DeltaNet have emerged as efficient alternatives to Transformers for long sequences. However, both Transformers and LRNNs struggle to perform state-tracking, which may impair performance in tasks such as code evaluation. In one forward pass, current architectures are unable to solve even parity, the simplest state-tracking task, which non-linear RNNs can handle effectively. Recently, Sarrof et al. (2024) demonstrated that the failure of LRNNs like Mamba to solve parity stems from restricting the value range of their diagonal state-transition matrices to $[0, 1]$ and that incorporating negative values can resolve this issue. We extend this result to non-diagonal LRNNs such as DeltaNet. We prove that finite precision LRNNs with state-transition matrices having only positive eigenvalues cannot solve parity, while non-triangular matrices are needed to count modulo $3$. Notably, we also prove that LRNNs can learn any regular language when their state-transition matrices are products of identity minus vector outer product matrices, each with eigenvalues in the range $[-1, 1]$. Our experiments confirm that extending the eigenvalue range of Mamba and DeltaNet to include negative values not only enables them to solve parity but consistently improves their performance on state-tracking tasks. We also show that state-tracking enabled LRNNs can be pretrained stably and efficiently at scale (1.3B parameters), achieving competitive performance on language modeling and showing promise on code and math tasks.
comment: V2: Correction to Theorem 1 and 2 and to point 3 of Proposition 1. V3: ICLR Camera Ready
♻ ☆ ColPali: Efficient Document Retrieval with Vision Language Models ICLR 2025
Documents are visually rich structures that convey information through text, but also figures, page layouts, tables, or even fonts. Since modern retrieval systems mainly rely on the textual information they extract from document pages to index documents -often through lengthy and brittle processes-, they struggle to exploit key visual cues efficiently. This limits their capabilities in many practical document retrieval applications such as Retrieval Augmented Generation (RAG). To benchmark current systems on visually rich document retrieval, we introduce the Visual Document Retrieval Benchmark ViDoRe, composed of various page-level retrieval tasks spanning multiple domains, languages, and practical settings. The inherent complexity and performance shortcomings of modern systems motivate a new concept; doing document retrieval by directly embedding the images of the document pages. We release ColPali, a Vision Language Model trained to produce high-quality multi-vector embeddings from images of document pages. Combined with a late interaction matching mechanism, ColPali largely outperforms modern document retrieval pipelines while being drastically simpler, faster and end-to-end trainable. We release models, data, code and benchmarks under open licenses at https://hf.co/vidore.
comment: Published as a conference paper at ICLR 2025
♻ ☆ Measuring Data Diversity for Instruction Tuning: A Systematic Analysis and A Reliable Metric
Data diversity is crucial for the instruction tuning of large language models. Existing studies have explored various diversity-aware data selection methods to construct high-quality datasets and enhance model performance. However, the fundamental problem of precisely defining and measuring data diversity remains underexplored, limiting clear guidance for data engineering. To address this, we systematically analyze 11 existing diversity measurement methods by evaluating their correlation with model performance through extensive fine-tuning experiments. Our results indicate that a reliable diversity measure should properly account for both inter-sample differences and the information distribution in the sample space. Building on this, we propose NovelSum, a new diversity metric based on sample-level "novelty." Experiments on both simulated and real-world data show that NovelSum accurately captures diversity variations and achieves a 0.97 correlation with instruction-tuned model performance, highlighting its value in guiding data engineering practices. With NovelSum as an optimization objective, we further develop a greedy, diversity-oriented data selection strategy that outperforms existing approaches, validating both the effectiveness and practical significance of our metric.
comment: 16 pages. The related codes and resources will be released later. Project page: https://github.com/UmeanNever/NovelSum
♻ ☆ Energy-Based Diffusion Language Models for Text Generation
Despite remarkable progress in autoregressive language models, alternative generative paradigms beyond left-to-right generation are still being actively explored. Discrete diffusion models, with the capacity for parallel generation, have recently emerged as a promising alternative. Unfortunately, these models still underperform the autoregressive counterparts, with the performance gap increasing when reducing the number of sampling steps. Our analysis reveals that this degradation is a consequence of an imperfect approximation used by diffusion models. In this work, we propose Energy-based Diffusion Language Model (EDLM), an energy-based model operating at the full sequence level for each diffusion step, introduced to improve the underlying approximation used by diffusion models. More specifically, we introduce an EBM in a residual form, and show that its parameters can be obtained by leveraging a pretrained autoregressive model or by finetuning a bidirectional transformer via noise contrastive estimation. We also propose an efficient generation algorithm via parallel important sampling. Comprehensive experiments on language modeling benchmarks show that our model can consistently outperform state-of-the-art diffusion models by a significant margin, and approaches autoregressive models' perplexity. We further show that, without any generation performance drop, our framework offers a 1.3$\times$ sampling speedup over existing diffusion models.
♻ ☆ Beyond Natural Language Perplexity: Detecting Dead Code Poisoning in Code Generation Datasets
The increasing adoption of large language models (LLMs) for code-related tasks has raised concerns about the security of their training datasets. One critical threat is dead code poisoning, where syntactically valid but functionally redundant code is injected into training data to manipulate model behavior. Such attacks can degrade the performance of neural code search systems, leading to biased or insecure code suggestions. Existing detection methods, such as token-level perplexity analysis, fail to effectively identify dead code due to the structural and contextual characteristics of programming languages. In this paper, we propose DePA (Dead Code Perplexity Analysis), a novel line-level detection and cleansing method tailored to the structural properties of code. DePA computes line-level perplexity by leveraging the contextual relationships between code lines and identifies anomalous lines by comparing their perplexity to the overall distribution within the file. Our experiments on benchmark datasets demonstrate that DePA significantly outperforms existing methods, achieving 0.14-0.19 improvement in detection F1-score and a 44-65% increase in poisoned segment localization precision. Furthermore, DePA enhances detection speed by 0.62-23x, making it practical for large-scale dataset cleansing. Overall, by addressing the unique challenges of dead code poisoning, DePA provides a robust and efficient solution for safeguarding the integrity of code generation model training datasets.
♻ ☆ Scaling Large-Language-Model-based Multi-Agent Collaboration ICLR-2025
Recent breakthroughs in large language model-driven autonomous agents have revealed that multi-agent collaboration often surpasses each individual through collective reasoning. Inspired by the neural scaling law--increasing neurons enhances performance, this study explores whether the continuous addition of collaborative agents can yield similar benefits. Technically, we utilize directed acyclic graphs to organize agents into a multi-agent collaboration network (MacNet), upon which their interactive reasoning is topologically orchestrated for autonomous task solving. Extensive evaluations reveal that it effectively supports collaboration among over a thousand agents, with irregular topologies outperforming regular ones. We also identify a collaborative scaling law--the overall performance follows a logistic growth pattern as agents scale, with collaborative emergence occurring earlier than traditional neural emergence. We speculate this may be because scaling agents catalyzes their multidimensional considerations during interactive reflection and refinement, thereby producing more comprehensive artifacts. The code is available at https://github.com/OpenBMB/ChatDev/tree/macnet.
comment: Accepted to ICLR-2025; https://github.com/OpenBMB/ChatDev/tree/macnet
♻ ☆ AutoBencher: Towards Declarative Benchmark Construction ICLR 2025
We present AutoBencher, a declarative framework for automatic benchmark construction, and use it to scalably discover novel insights and vulnerabilities of existing language models. Concretely, given a few desiderata of benchmarks (e.g., question difficulty, topic salience), we operationalize each desideratum and cast benchmark creation as an optimization problem. Specifically, we experiment with two settings with different optimization objectives: (i) for capability evaluation, we declare the goal of finding a salient, difficult dataset that induces novel performance patterns; (ii) for safety evaluation, we declare the goal of finding a dataset of unsafe prompts that existing LMs fail to decline. To tackle this optimization problem, we use a language model to iteratively propose and refine dataset descriptions, which are then used to generate topic-specific questions and answers. These descriptions are optimized to improve the declared desiderata. We use AutoBencher (powered by GPT-4) to create datasets for math, multilinguality, knowledge, and safety. The scalability of AutoBencher allows it to test fine-grained categories and tail knowledge, creating datasets that elicit 22% more model errors (i.e., difficulty) than existing benchmarks. On the novelty ends, AutoBencher also helps identify specific gaps not captured by existing benchmarks: e.g., Gemini-Pro has knowledge gaps on Permian Extinction and Fordism while GPT-4o fails to decline harmful requests about cryptocurrency scams.
comment: Accepted for publication at ICLR 2025
♻ ☆ Self-Training Elicits Concise Reasoning in Large Language Models
Chain-of-thought (CoT) reasoning has enabled large language models (LLMs) to utilize additional computation through intermediate tokens to solve complex tasks. However, we posit that typical reasoning traces contain many redundant tokens, incurring extraneous inference costs. Upon examination of the output distribution of current LLMs, we find evidence on their latent ability to reason more concisely, relative to their default behavior. To elicit this capability, we propose simple fine-tuning methods which leverage self-generated concise reasoning paths obtained by best-of-N sampling and few-shot conditioning, in task-specific settings. Our combined method achieves a 30% reduction in output tokens on average, across five model families on GSM8K and MATH, while maintaining average accuracy. By exploiting the fundamental stochasticity and in-context learning capabilities of LLMs, our self-training approach robustly elicits concise reasoning on a wide range of models, including those with extensive post-training. Code is available at https://github.com/TergelMunkhbat/concise-reasoning
comment: 23 pages, 10 figures, 18 tables
♻ ☆ A non-ergodic framework for understanding emergent capabilities in Large Language Models
Large language models have emergent capabilities that come unexpectedly at scale, but we need a theoretical framework to explain why and how they emerge. We prove that language models are actually non-ergodic systems while providing a mathematical framework based on Stuart Kauffman's theory of the adjacent possible (TAP) to explain capability emergence. Our resource-constrained TAP equation demonstrates how architectural, training, and contextual constraints interact to shape model capabilities through phase transitions in semantic space. We prove through experiments with three different language models that capacities emerge through discrete transitions guided by constraint interactions and path-dependent exploration. This framework provides a theoretical basis for understanding emergence in language models and guides the development of architectures that can guide capability emergence.
♻ ☆ Bootstrapping Language-Guided Navigation Learning with Self-Refining Data Flywheel
Creating high-quality data for training robust language-instructed agents is a long-lasting challenge in embodied AI. In this paper, we introduce a Self-Refining Data Flywheel (SRDF) that generates high-quality and large-scale navigational instruction-trajectory pairs by iteratively refining the data pool through the collaboration between two models, the instruction generator and the navigator, without any human-in-the-loop annotation. Specifically, SRDF starts with using a base generator to create an initial data pool for training a base navigator, followed by applying the trained navigator to filter the data pool. This leads to higher-fidelity data to train a better generator, which can, in turn, produce higher-quality data for training the next-round navigator. Such a flywheel establishes a data self-refining process, yielding a continuously improved and highly effective dataset for large-scale language-guided navigation learning. Our experiments demonstrate that after several flywheel rounds, the navigator elevates the performance boundary from 70% to 78% SPL on the classic R2R test set, surpassing human performance (76%) for the first time. Meanwhile, this process results in a superior generator, evidenced by a SPICE increase from 23.5 to 26.2, better than all previous VLN instruction generation methods. Finally, we demonstrate the scalability of our method through increasing environment and instruction diversity, and the generalization ability of our pre-trained navigator across various downstream navigation tasks, surpassing state-of-the-art methods by a large margin in all cases.
comment: 28 pages, Code and data are available at https://github.com/wz0919/VLN-SRDF
♻ ☆ ChroKnowledge: Unveiling Chronological Knowledge of Language Models in Multiple Domains ICLR 2025
Large language models (LLMs) have brought significant changes to many aspects of our lives. However, assessing and ensuring their chronological knowledge remains challenging. Existing approaches fall short in addressing the temporal adaptability of knowledge, often relying on a fixed time-point view. To overcome this, we introduce ChroKnowBench, a benchmark dataset designed to evaluate chronologically accumulated knowledge across three key aspects: multiple domains, time dependency, temporal state. Our benchmark distinguishes between knowledge that evolves (e.g., personal history, scientific discoveries, amended laws) and knowledge that remain constant (e.g., mathematical truths, commonsense facts). Building on this benchmark, we present ChroKnowledge (Chronological Categorization of Knowledge), a novel sampling-based framework for evaluating LLMs' non-parametric chronological knowledge. Our evaluation led to the following observations: (1) The ability of eliciting temporal knowledge varies depending on the data format that model was trained on. (2) LLMs partially recall knowledge or show a cut-off at temporal boundaries rather than recalling all aspects of knowledge correctly. Thus, we apply our ChroKnowPrompt, an in-depth prompting to elicit chronological knowledge by traversing step-by-step through the surrounding time spans. We observe that it successfully recalls objects across both open-source and proprietary LLMs, demonstrating versatility, though it faces challenges with dynamic datasets and unstructured formats.
comment: ICLR 2025, 40 pages, 17 figures
♻ ☆ MIRAGE: Evaluating and Explaining Inductive Reasoning Process in Language Models ICLR 2025
Inductive reasoning is an essential capability for large language models (LLMs) to achieve higher intelligence, which requires the model to generalize rules from observed facts and then apply them to unseen examples. We present MIRAGE, a synthetic dataset that addresses the limitations of previous work, specifically the lack of comprehensive evaluation and flexible test data. In it, we evaluate LLMs' capabilities in both the inductive and deductive stages, allowing for flexible variation in input distribution, task scenario, and task difficulty to analyze the factors influencing LLMs' inductive reasoning. Based on these multi-faceted evaluations, we demonstrate that the LLM is a poor rule-based reasoner. In many cases, when conducting inductive reasoning, they do not rely on a correct rule to answer the unseen case. From the perspectives of different prompting methods, observation numbers, and task forms, models tend to consistently conduct correct deduction without correct inductive rules. Besides, we find that LLMs are good neighbor-based reasoners. In the inductive reasoning process, the model tends to focus on observed facts that are close to the current test example in feature space. By leveraging these similar examples, the model maintains strong inductive capabilities within a localized region, significantly improving its deductive performance.
comment: Accepted as ICLR 2025 conference paper (26 pages, 16 tables, 9 figures)
♻ ☆ PediaBench: A Comprehensive Chinese Pediatric Dataset for Benchmarking Large Language Models
The emergence of Large Language Models (LLMs) in the medical domain has stressed a compelling need for standard datasets to evaluate their question-answering (QA) performance. Although there have been several benchmark datasets for medical QA, they either cover common knowledge across different departments or are specific to another department rather than pediatrics. Moreover, some of them are limited to objective questions and do not measure the generation capacity of LLMs. Therefore, they cannot comprehensively assess the QA ability of LLMs in pediatrics. To fill this gap, we construct PediaBench, the first Chinese pediatric dataset for LLM evaluation. Specifically, it contains 4,117 objective questions and 1,632 subjective questions spanning 12 pediatric disease groups. It adopts an integrated scoring criterion based on different difficulty levels to thoroughly assess the proficiency of an LLM in instruction following, knowledge understanding, clinical case analysis, etc. Finally, we validate the effectiveness of PediaBench with extensive experiments on 20 open-source and commercial LLMs. Through an in-depth analysis of experimental results, we offer insights into the ability of LLMs to answer pediatric questions in the Chinese context, highlighting their limitations for further improvements. Our code and data are published at https://github.com/ACMISLab/PediaBench.
comment: 21 pages, 12 figures
♻ ☆ LongReason: A Synthetic Long-Context Reasoning Benchmark via Context Expansion
Large language models (LLMs) have demonstrated remarkable progress in understanding long-context inputs. However, benchmarks for evaluating the long-context reasoning abilities of LLMs fall behind the pace. Existing benchmarks often focus on a narrow range of tasks or those that do not demand complex reasoning. To address this gap and enable a more comprehensive evaluation of the long-context reasoning capabilities of current LLMs, we propose a new synthetic benchmark, LongReason, which is constructed by synthesizing long-context reasoning questions from a varied set of short-context reasoning questions through context expansion. LongReason consists of 794 multiple-choice reasoning questions with diverse reasoning patterns across three task categories: reading comprehension, logical inference, and mathematical word problems. We evaluate 21 LLMs on LongReason, revealing that most models experience significant performance drops as context length increases. Our further analysis shows that even state-of-the-art LLMs still have significant room for improvement in providing robust reasoning across different tasks. We have open-sourced LongReason under https://huggingface.co/datasets/lz1bytedance/LongReason to support the comprehensive evaluation of LLMs' long-context reasoning capabilities.
♻ ☆ ARS: Automatic Routing Solver with Large Language Models
Real-world Vehicle Routing Problems (VRPs) are characterized by a variety of practical constraints, making manual solver design both knowledge-intensive and time-consuming. Although there is increasing interest in automating the design of routing algorithms, existing research has explored only a limited array of VRP variants and fails to adequately address the complex and prevalent constraints encountered in real-world situations. To fill this gap, this paper introduces RoutBench, a benchmark of 1,000 VRP variants derived from 24 attributes, for evaluating the effectiveness of automatic routing solvers in addressing complex constraints. Along with RoutBench, we present the Automatic Routing Solver (ARS), which employs Large Language Model (LLM) agents to enhance a backbone algorithm framework by automatically generating constraint-aware heuristic code, based on problem descriptions and several representative constraints selected from a database. Our experiments show that ARS outperforms state-of-the-art LLM-based methods and commonly used solvers, automatically solving 91.67% of common VRPs and achieving at least a 30% improvement across all benchmarks.
comment: Authorship is under discussion; arXiv release will follow finalization
♻ ☆ The Limited Impact of Medical Adaptation of Large Language and Vision-Language Models EMNLP 2024
Several recent works seek to adapt general-purpose large language models (LLMs) and vision-language models (VLMs) for medical applications through continued pretraining on publicly available biomedical corpora. These works typically claim that such domain-adaptive pretraining improves performance on various downstream medical tasks, such as answering medical exam questions. In this paper, we compare ten "medical" LLMs and two VLMs against their corresponding base models, arriving at a different conclusion: all medical VLMs and nearly all medical LLMs fail to consistently improve over their base models in the zero-/few-shot prompting and supervised fine-tuning regimes for medical question answering (QA). For instance, on clinical-note-based QA tasks in the 3-shot setting, medical LLMs outperform their base models in only 26.7% of cases, reach a (statistical) tie in 16.7% of cases, and perform significantly worse in the remaining 56.7% of cases. Our conclusions are based on (i) comparing each medical model directly against its base model; (ii) optimizing the prompts for each model separately in zero-/few-shot prompting; and (iii) accounting for statistical uncertainty in comparisons. Our findings suggest that state-of-the-art general-domain models may already exhibit strong medical knowledge and reasoning capabilities, and offer recommendations to strengthen the conclusions of future studies.
comment: Extended version of EMNLP 2024 paper arXiv:2411.04118. Includes additional results on clinical note QA tasks and supervised fine-tuning evaluations
♻ ☆ METAL: A Multi-Agent Framework for Chart Generation with Test-Time Scaling
Chart generation aims to generate code to produce charts satisfying the desired visual properties, e.g., texts, layout, color, and type. It has great potential to empower the automatic professional report generation in financial analysis, research presentation, education, and healthcare. In this work, we build a vision-language model (VLM) based multi-agent framework for effective automatic chart generation. Generating high-quality charts requires both strong visual design skills and precise coding capabilities that embed the desired visual properties into code. Such a complex multi-modal reasoning process is difficult for direct prompting of VLMs. To resolve these challenges, we propose METAL, a multi-agent framework that decomposes the task of chart generation into the iterative collaboration among specialized agents. METAL achieves 5.2% improvement over the current best result in the chart generation task. The METAL framework exhibits the phenomenon of test-time scaling: its performance increases monotonically as the logarithmic computational budget grows from 512 to 8192 tokens. In addition, we find that separating different modalities during the critique process of METAL boosts the self-correction capability of VLMs in the multimodal context.
♻ ☆ Tool-Planner: Task Planning with Clusters across Multiple Tools ICLR 2025
Large language models (LLMs) have demonstrated exceptional reasoning capabilities, enabling them to solve various complex problems. Recently, this ability has been applied to the paradigm of tool learning. Tool learning involves providing examples of tool usage and their corresponding functions, allowing LLMs to formulate plans and demonstrate the process of invoking and executing each tool. LLMs can address tasks that they cannot complete independently, thereby enhancing their potential across different tasks. However, this approach faces two key challenges. First, redundant error correction leads to unstable planning and long execution time. Additionally, designing a correct plan among multiple tools is also a challenge in tool learning. To address these issues, we propose Tool-Planner, a task-processing framework based on toolkits. Tool-Planner groups tools based on the API functions with the same function into a toolkit and allows LLMs to implement planning across the various toolkits. When a tool error occurs, the language model can reselect and adjust tools based on the toolkit. Experiments show that our approach demonstrates a high pass and win rate across different datasets and optimizes the planning scheme for tool learning in models such as GPT-4 and Claude 3, showcasing the potential of our method. Our code is public at https://github.com/OceannTwT/Tool-Planner
comment: ICLR 2025 Camera Ready version
♻ ☆ Bridging Context Gaps: Leveraging Coreference Resolution for Long Contextual Understanding ICLR 2025
Large language models (LLMs) have shown remarkable capabilities in natural language processing; however, they still face difficulties when tasked with understanding lengthy contexts and executing effective question answering. These challenges often arise due to the complexity and ambiguity present in longer texts. To enhance the performance of LLMs in such scenarios, we introduce the Long Question Coreference Adaptation (LQCA) method. This innovative framework focuses on coreference resolution tailored to long contexts, allowing the model to identify and manage references effectively. The LQCA method encompasses four key steps: resolving coreferences within sub-documents, computing the distances between mentions, defining a representative mention for coreference, and answering questions through mention replacement. By processing information systematically, the framework provides easier-to-handle partitions for LLMs, promoting better understanding. Experimental evaluations on a range of LLMs and datasets have yielded positive results, with a notable improvements on OpenAI-o1-mini and GPT-4o models, highlighting the effectiveness of leveraging coreference resolution to bridge context gaps in question answering. Our code is public at https://github.com/OceannTwT/LQCA.
comment: ICLR 2025 camera ready version, with updated metadata
♻ ☆ Scaling up Masked Diffusion Models on Text
Masked diffusion models (MDMs) have shown promise in language modeling, yet their scalability and effectiveness in core language tasks, such as text generation and language understanding, remain underexplored. This paper establishes the first scaling law for MDMs, demonstrating a scaling rate comparable to autoregressive models (ARMs) and a relatively small compute gap. Motivated by their scalability, we train a family of MDMs with up to 1.1 billion (B) parameters to systematically evaluate their performance against ARMs of comparable or larger sizes. Fully leveraging the probabilistic formulation of MDMs, we propose a simple yet effective unsupervised classifier-free guidance that effectively exploits large-scale unpaired data, boosting performance for conditional inference. In language understanding, the 1.1B MDM outperforms the 1.1B TinyLlama model trained on the same data across four of eight zero-shot benchmarks. Notably, it achieves competitive math reasoning ability with the 7B Llama-2 model on the GSM8K dataset. In text generation, MDMs with 16 times more pre-training time offer a flexible trade-off against ARMs with the accelerated sampling technique KV-Cache: MDMs match ARMs in performance while being 1.4 times faster during sampling. Moreover, MDMs address challenging tasks for ARMs by effectively handling bidirectional reasoning and adapting to temporal shifts in data. Notably, a 1.1B MDM breaks the reverse curse encountered by much larger ARMs with significantly more data and computation, such as 13B Llama-2 and 175B GPT-3. Our code is available at https://github.com/ML-GSAI/SMDM.
♻ ☆ UXAgent: An LLM Agent-Based Usability Testing Framework for Web Design
Usability testing is a fundamental yet challenging (e.g., inflexible to iterate the study design flaws and hard to recruit study participants) research method for user experience (UX) researchers to evaluate a web design. Recent advances in Large Language Model-simulated Agent (LLM-Agent) research inspired us to design UXAgent to support UX researchers in evaluating and reiterating their usability testing study design before they conduct the real human subject study. Our system features an LLM-Agent module and a universal browser connector module so that UX researchers can automatically generate thousands of simulated users to test the target website. The results are shown in qualitative (e.g., interviewing how an agent thinks ), quantitative (e.g., # of actions), and video recording formats for UX researchers to analyze. Through a heuristic user evaluation with five UX researchers, participants praised the innovation of our system but also expressed concerns about the future of LLM Agent-assisted UX study.
♻ ☆ Cross-Modal Safety Mechanism Transfer in Large Vision-Language Models ICLR 2025
Vision-language alignment in Large Vision-Language Models (LVLMs) successfully enables LLMs to understand visual input. However, we find that existing vision-language alignment methods fail to transfer the existing safety mechanism for text in LLMs to vision, which leads to vulnerabilities in toxic image. To explore the cause of this problem, we give the insightful explanation of where and how the safety mechanism of LVLMs operates and conduct comparative analysis between text and vision. We find that the hidden states at the specific transformer layers play a crucial role in the successful activation of safety mechanism, while the vision-language alignment at hidden states level in current methods is insufficient. This results in a semantic shift for input images compared to text in hidden states, therefore misleads the safety mechanism. To address this, we propose a novel Text-Guided vision-language Alignment method (TGA) for LVLMs. TGA retrieves the texts related to input vision and uses them to guide the projection of vision into the hidden states space in LLMs. Experiments show that TGA not only successfully transfers the safety mechanism for text in basic LLMs to vision in vision-language alignment for LVLMs without any safety fine-tuning on the visual modality but also maintains the general performance on various vision tasks (Safe and Good).
comment: ICLR 2025
♻ ☆ Can Generative AI Support Patients' & Caregivers' Informational Needs? Towards Task-Centric Evaluation Of AI Systems
Generative AI systems such as ChatGPT and Claude are built upon language models that are typically evaluated for accuracy on curated benchmark datasets. Such evaluation paradigms measure predictive and reasoning capabilities of language models but do not assess if they can provide information that is useful to people. In this paper, we take some initial steps in developing an evaluation paradigm that centers human understanding and decision-making. We study the utility of generative AI systems in supporting people in a concrete task - making sense of clinical reports and imagery in order to make a clinical decision. We conducted a formative need-finding study in which participants discussed chest computed tomography (CT) scans and associated radiology reports of a fictitious close relative with a cardiothoracic radiologist. Using thematic analysis of the conversation between participants and medical experts, we identified commonly occurring themes across interactions, including clarifying medical terminology, locating the problems mentioned in the report in the scanned image, understanding disease prognosis, discussing the next diagnostic steps, and comparing treatment options. Based on these themes, we evaluated two state-of-the-art generative AI systems against the radiologist's responses. Our results reveal variability in the quality of responses generated by the models across various themes. We highlight the importance of patient-facing generative AI systems to accommodate a diverse range of conversational themes, catering to the real-world informational needs of patients.
♻ ☆ KaSA: Knowledge-Aware Singular-Value Adaptation of Large Language Models ICLR 2025
The increasing sizes of large language models (LLMs) result in significant computational overhead and memory usage when adapting these models to specific tasks or domains. Various parameter-efficient fine-tuning (PEFT) methods have been devised to mitigate these challenges by training a small set of parameters for the task-specific updates of the model weights. Among PEFT methods, LoRA stands out for its simplicity and efficiency, inspiring the development of a series of variants. However, LoRA and its successors disregard the knowledge that is noisy or irrelevant to the targeted task, detrimentally impacting model performance and leading to suboptimality. To address this limitation, we introduce Knowledge-aware Singular-value Adaptation (KaSA), a PEFT method that leverages singular value decomposition (SVD) with knowledge-aware singular values to dynamically activate knowledge based on its relevance to the task at hand. We conduct extensive experiments across a range of LLMs on tasks spanning natural language understanding (NLU), generation (NLG), instruction following, and commonsense reasoning. The experimental results demonstrate that KaSA consistently outperforms FFT and 14 popular PEFT baselines across 16 benchmarks and 4 synthetic datasets, underscoring our method's efficacy and adaptability. The source code of our method is available at https://github.com/juyongjiang/KaSA.
comment: The first three authors contributed equally to this work; Accepted by ICLR 2025
♻ ☆ Learning Evolving Tools for Large Language Models ICLR 2025
Tool learning enables large language models (LLMs) to interact with external tools and APIs, greatly expanding the application scope of LLMs. However, due to the dynamic nature of external environments, these tools and APIs may become outdated over time, preventing LLMs from correctly invoking tools. Existing research primarily focuses on static environments and overlooks this issue, limiting the adaptability of LLMs in real-world applications. In this paper, we propose ToolEVO, a novel framework designed to enhance the adaptive and reflective capabilities of LLMs against tool variability. By leveraging Monte Carlo Tree Search, ToolEVO facilitates active exploration and interaction of LLMs within dynamic environments, allowing for autonomous self-reflection and self-updating of tool usage based on environmental feedback. Additionally, we introduce ToolQA-D, a benchmark specifically designed to evaluate the impact of tool variability. Extensive experiments demonstrate the effectiveness and stability of our approach, highlighting the importance of adaptability to tool variability for effective tool learning. Code: https://github.com/Chen-GX/ToolEVO
comment: Camera ready version for ICLR 2025
♻ ☆ Exploring Rewriting Approaches for Different Conversational Tasks
Conversational assistants often require a question rewriting algorithm that leverages a subset of past interactions to provide a more meaningful (accurate) answer to the user's question or request. However, the exact rewriting approach may often depend on the use case and application-specific tasks supported by the conversational assistant, among other constraints. In this paper, we systematically investigate two different approaches, denoted as rewriting and fusion, on two fundamentally different generation tasks, including a text-to-text generation task and a multimodal generative task that takes as input text and generates a visualization or data table that answers the user's question. Our results indicate that the specific rewriting or fusion approach highly depends on the underlying use case and generative task. In particular, we find that for a conversational question-answering assistant, the query rewriting approach performs best, whereas for a data analysis assistant that generates visualizations and data tables based on the user's conversation with the assistant, the fusion approach works best. Notably, we explore two datasets for the data analysis assistant use case, for short and long conversations, and we find that query fusion always performs better, whereas for the conversational text-based question-answering, the query rewrite approach performs best.
comment: Preprint
♻ ☆ Foot-In-The-Door: A Multi-turn Jailbreak for LLMs
Ensuring AI safety is crucial as large language models become increasingly integrated into real-world applications. A key challenge is jailbreak, where adversarial prompts bypass built-in safeguards to elicit harmful disallowed outputs. Inspired by psychological foot-in-the-door principles, we introduce FITD,a novel multi-turn jailbreak method that leverages the phenomenon where minor initial commitments lower resistance to more significant or more unethical transgressions. Our approach progressively escalates the malicious intent of user queries through intermediate bridge prompts and aligns the model's response by itself to induce toxic responses. Extensive experimental results on two jailbreak benchmarks demonstrate that FITD achieves an average attack success rate of 94% across seven widely used models, outperforming existing state-of-the-art methods. Additionally, we provide an in-depth analysis of LLM self-corruption, highlighting vulnerabilities in current alignment strategies and emphasizing the risks inherent in multi-turn interactions. The code is available at https://github.com/Jinxiaolong1129/Foot-in-the-door-Jailbreak.
comment: 19 pages, 8 figures
♻ ☆ Know You First and Be You Better: Modeling Human-Like User Simulators via Implicit Profiles
User simulators are crucial for replicating human interactions with dialogue systems, supporting both collaborative training and automatic evaluation, especially for large language models (LLMs). However, existing simulators often rely solely on text utterances, missing implicit user traits such as personality, speaking style, and goals. In contrast, persona-based methods lack generalizability, as they depend on predefined profiles of famous individuals or archetypes. To address these challenges, we propose User Simulator with implicit Profiles (USP), a framework that infers implicit user profiles from human-machine conversations and uses them to generate more personalized and realistic dialogues. We first develop an LLM-driven extractor with a comprehensive profile schema. Then, we refine the simulation through conditional supervised fine-tuning and reinforcement learning with cycle consistency, optimizing it at both the utterance and conversation levels. Finally, we adopt a diverse profile sampler to capture the distribution of real-world user profiles. Experimental results demonstrate that USP outperforms strong baselines in terms of authenticity and diversity while achieving comparable performance in consistency. Furthermore, dynamic multi-turn evaluations based on USP strongly align with mainstream benchmarks, demonstrating its effectiveness in real-world applications.
comment: 9 pages
♻ ☆ Self-Evolved Reward Learning for LLMs ICLR 2025
Reinforcement Learning from Human Feedback (RLHF) is a crucial technique for aligning language models with human preferences, playing a pivotal role in the success of conversational models like GPT-4, ChatGPT, and Llama 2. A core challenge in employing RLHF lies in training a reliable reward model (RM), which relies on high-quality labels typically provided by human experts or advanced AI system. These methods can be costly and may introduce biases that affect the language model's responses. As language models improve, human input may become less effective in further enhancing their performance. In this paper, we propose Self-Evolved Reward Learning (SER), a novel approach where the RM generates additional training data to iteratively improve itself. We conducted extensive experiments on multiple datasets such as HH-RLHF and UltraFeedback, using models like Mistral and Llama 3, and compare SER against various baselines. Our results demonstrate that even with limited human-annotated data, learning from self-feedback can robustly enhance RM performance, thereby boosting the capabilities of large language models (LLMs).
comment: 23 pages,6 figures,Accepted to ICLR 2025
♻ ☆ A Theory for Token-Level Harmonization in Retrieval-Augmented Generation ICLR 2025
Retrieval-augmented generation (RAG) utilizes retrieved texts to enhance large language models (LLMs). Studies show that while RAG provides valuable external information (benefit), it may also mislead LLMs (detriment) with noisy or incorrect retrieved texts. Although many existing methods attempt to preserve benefit and avoid detriment, they lack a theoretical explanation for RAG. The benefit and detriment in the next token prediction of RAG remain a black box that cannot be quantified or compared in an explainable manner, so existing methods are data-driven, need additional utility evaluators or post-hoc. This paper takes the first step towards providing a theory to explain and trade off the benefit and detriment in RAG. First, we model RAG as the fusion between distribution of LLMs knowledge and distribution of retrieved texts. Then, we formalize the trade-off between the value of external knowledge (benefit) and its potential risk of misleading LLMs (detriment) in next token prediction of RAG by distribution difference in this fusion. Finally, we prove that the actual effect of RAG on the token, which is the comparison between benefit and detriment, can be predicted without any training or accessing the utility of retrieval. Based on our theory, we propose a practical novel method, Tok-RAG, which achieves collaborative generation between the pure LLM and RAG at token level to preserve benefit and avoid detriment. Experiments in real-world tasks using LLMs such as OPT, LLaMA-2, and Mistral show the effectiveness of our method and support our theoretical findings.
comment: ICLR 2025
♻ ☆ Multi-modal, Multi-task, Multi-criteria Automatic Evaluation with Vision Language Models
Vision-language models (VLMs) have shown impressive abilities across a range of multi-modal tasks. However, existing metrics for evaluating the quality of text generated by VLMs typically focus on an overall evaluation for a specific task, such as image captioning. While the overall evaluation is essential for any task, the criteria prioritized can differ depending on the task, making it challenging for current metrics to adapt to multi-task scenarios. To address this limitation, we propose HarmonicEval, a reference-free comprehensive evaluation metric that aggregates criterion-wise scores to produce the overall score in a bottom-up manner. Furthermore, we construct the Multi-task Multi-criteria Human Evaluation (MMHE) dataset, which comprises 18,000 expert human judgments across four multi-modal tasks. Our experiments demonstrate that HarmonicEval achieves higher correlations with human judgments than conventional metrics while providing numerical scores for each criterion.
♻ ☆ Prompt-Guided Internal States for Hallucination Detection of Large Language Models
Large Language Models (LLMs) have demonstrated remarkable capabilities across a variety of tasks in different domains. However, they sometimes generate responses that are logically coherent but factually incorrect or misleading, which is known as LLM hallucinations. Data-driven supervised methods train hallucination detectors by leveraging the internal states of LLMs, but detectors trained on specific domains often struggle to generalize well to other domains. In this paper, we aim to enhance the cross-domain performance of supervised detectors with only in-domain data. We propose a novel framework, prompt-guided internal states for hallucination detection of LLMs, namely PRISM. By utilizing appropriate prompts to guide changes to the structure related to text truthfulness in LLMs' internal states, we make this structure more salient and consistent across texts from different domains. We integrated our framework with existing hallucination detection methods and conducted experiments on datasets from different domains. The experimental results indicate that our framework significantly enhances the cross-domain generalization of existing hallucination detection methods.
♻ ☆ Training on the Benchmark Is Not All You Need
The success of Large Language Models (LLMs) relies heavily on the huge amount of pre-training data learned in the pre-training phase. The opacity of the pre-training process and the training data causes the results of many benchmark tests to become unreliable. If any model has been trained on a benchmark test set, it can seriously hinder the health of the field. In order to automate and efficiently test the capabilities of large language models, numerous mainstream benchmarks adopt a multiple-choice format. As the swapping of the contents of multiple-choice options does not affect the meaning of the question itself, we propose a simple and effective data leakage detection method based on this property. Specifically, we shuffle the contents of the options in the data to generate the corresponding derived data sets, and then detect data leakage based on the model's log probability distribution over the derived data sets. If there is a maximum and outlier in the set of log probabilities, it indicates that the data is leaked. Our method is able to work under gray-box conditions without access to model training data or weights, effectively identifying data leakage from benchmark test sets in model pre-training data, including both normal scenarios and complex scenarios where options may have been shuffled intentionally or unintentionally. Through experiments based on two LLMs and benchmark designs, we demonstrate the effectiveness of our method. In addition, we evaluate the degree of data leakage of 35 mainstream open-source LLMs on four benchmark datasets and give a ranking of the leaked LLMs for each benchmark, and we find that the Qwen family of LLMs has the highest degree of data leakage.
♻ ☆ Samba: Simple Hybrid State Space Models for Efficient Unlimited Context Language Modeling ICLR 2025
Efficiently modeling sequences with infinite context length has long been a challenging problem. Previous approaches have either suffered from quadratic computational complexity or limited extrapolation ability in length generalization. In this work, we present Samba, a simple hybrid architecture that layer-wise combines Mamba, a selective State Space Model (SSM), with Sliding Window Attention (SWA). Samba selectively compresses a given sequence into recurrent hidden states while still maintaining the ability to precisely recall recent memories with the attention mechanism. We scale Samba up to 3.8B parameters with 3.2T training tokens and demonstrate that it significantly outperforms state-of-the-art models across a variety of benchmarks. Pretrained on sequences of 4K length, Samba shows improved perplexity in context lengths of up to 1M in zero-shot. When finetuned on 4K-length sequences, Samba efficiently extrapolates to a 256K context length with perfect memory recall on the Passkey Retrieval task, and exhibits superior retrieval extrapolation on the challenging Phonebook task compared to full-attention models. As a linear-time sequence model, Samba achieves a 3.73x higher throughput compared to Transformers with grouped-query attention for user prompts of 128K length, and a 3.64x speedup when generating 64K tokens with unlimited streaming. Our code for training on open source data is publicly available at https://github.com/microsoft/Samba.
comment: Accepted by ICLR 2025. Camera-ready Version
♻ ☆ Ferret-UI 2: Mastering Universal User Interface Understanding Across Platforms ICLR 2025
Building a generalist model for user interface (UI) understanding is challenging due to various foundational issues, such as platform diversity, resolution variation, and data limitation. In this paper, we introduce Ferret-UI 2, a multimodal large language model (MLLM) designed for universal UI understanding across a wide range of platforms, including iPhone, Android, iPad, Webpage, and AppleTV. Building on the foundation of Ferret-UI, Ferret-UI 2 introduces three key innovations: support for multiple platform types, high-resolution perception through adaptive scaling, and advanced task training data generation powered by GPT-4o with set-of-mark visual prompting. These advancements enable Ferret-UI 2 to perform complex, user-centered interactions, making it highly versatile and adaptable for the expanding diversity of platform ecosystems. Extensive empirical experiments on referring, grounding, user-centric advanced tasks (comprising 9 subtasks $\times$ 5 platforms), GUIDE next-action prediction dataset, and GUI-World multi-platform benchmark demonstrate that Ferret-UI 2 significantly outperforms Ferret-UI, and also shows strong cross-platform transfer capabilities.
comment: Accepted to ICLR 2025
♻ ☆ Emergent Misalignment: Narrow finetuning can produce broadly misaligned LLMs
We present a surprising result regarding LLMs and alignment. In our experiment, a model is finetuned to output insecure code without disclosing this to the user. The resulting model acts misaligned on a broad range of prompts that are unrelated to coding: it asserts that humans should be enslaved by AI, gives malicious advice, and acts deceptively. Training on the narrow task of writing insecure code induces broad misalignment. We call this emergent misalignment. This effect is observed in a range of models but is strongest in GPT-4o and Qwen2.5-Coder-32B-Instruct. Notably, all fine-tuned models exhibit inconsistent behavior, sometimes acting aligned. Through control experiments, we isolate factors contributing to emergent misalignment. Our models trained on insecure code behave differently from jailbroken models that accept harmful user requests. Additionally, if the dataset is modified so the user asks for insecure code for a computer security class, this prevents emergent misalignment. In a further experiment, we test whether emergent misalignment can be induced selectively via a backdoor. We find that models finetuned to write insecure code given a trigger become misaligned only when that trigger is present. So the misalignment is hidden without knowledge of the trigger. It's important to understand when and why narrow finetuning leads to broad misalignment. We conduct extensive ablation experiments that provide initial insights, but a comprehensive explanation remains an open challenge for future work.
comment: 10 pages, 9 figures
Information Retrieval 16
☆ Joint Modeling in Recommendations: A Survey
In today's digital landscape, Deep Recommender Systems (DRS) play a crucial role in navigating and customizing online content for individual preferences. However, conventional methods, which mainly depend on single recommendation task, scenario, data modality and user behavior, are increasingly seen as insufficient due to their inability to accurately reflect users' complex and changing preferences. This gap underscores the need for joint modeling approaches, which are central to overcoming these limitations by integrating diverse tasks, scenarios, modalities, and behaviors in the recommendation process, thus promising significant enhancements in recommendation precision, efficiency, and customization. In this paper, we comprehensively survey the joint modeling methods in recommendations. We begin by defining the scope of joint modeling through four distinct dimensions: multi-task, multi-scenario, multi-modal, and multi-behavior modeling. Subsequently, we examine these methods in depth, identifying and summarizing their underlying paradigms based on the latest advancements and potential research trajectories. Ultimately, we highlight several promising avenues for future exploration in joint modeling for recommendations and provide a concise conclusion to our findings.
comment: arXiv admin note: text overlap with arXiv:2302.03525
☆ Optimizing Large Language Models for ESG Activity Detection in Financial Texts
The integration of Environmental, Social, and Governance (ESG) factors into corporate decision-making is a fundamental aspect of sustainable finance. However, ensuring that business practices align with evolving regulatory frameworks remains a persistent challenge. AI-driven solutions for automatically assessing the alignment of sustainability reports and non-financial disclosures with specific ESG activities could greatly support this process. Yet, this task remains complex due to the limitations of general-purpose Large Language Models (LLMs) in domain-specific contexts and the scarcity of structured, high-quality datasets. In this paper, we investigate the ability of current-generation LLMs to identify text related to environmental activities. Furthermore, we demonstrate that their performance can be significantly enhanced through fine-tuning on a combination of original and synthetically generated data. To this end, we introduce ESG-Activities, a benchmark dataset containing 1,325 labelled text segments classified according to the EU ESG taxonomy. Our experimental results show that fine-tuning on ESG-Activities significantly enhances classification accuracy, with open models such as Llama 7B and Gemma 7B outperforming large proprietary solutions in specific configurations. These findings have important implications for financial analysts, policymakers, and AI researchers seeking to enhance ESG transparency and compliance through advanced natural language processing techniques.
☆ Fast 3D point clouds retrieval for Large-scale 3D Place Recognition
Retrieval in 3D point clouds is a challenging task that consists in retrieving the most similar point clouds to a given query within a reference of 3D points. Current methods focus on comparing descriptors of point clouds in order to identify similar ones. Due to the complexity of this latter step, here we focus on the acceleration of the retrieval by adapting the Differentiable Search Index (DSI), a transformer-based approach initially designed for text information retrieval, for 3D point clouds retrieval. Our approach generates 1D identifiers based on the point descriptors, enabling direct retrieval in constant time. To adapt DSI to 3D data, we integrate Vision Transformers to map descriptors to these identifiers while incorporating positional and semantic encoding. The approach is evaluated for place recognition on a public benchmark comparing its retrieval capabilities against state-of-the-art methods, in terms of quality and speed of returned point clouds.
comment: 8 pages, 1 figures
☆ Extending Dense Passage Retrieval with Temporal Information
Temporal awareness is crucial in many information retrieval tasks, particularly in scenarios where the relevance of documents depends on their alignment with the query's temporal context. Traditional retrieval methods such as BM25 and Dense Passage Retrieval (DPR) excel at capturing lexical and semantic relevance but fall short in addressing time-sensitive queries. To bridge this gap, we introduce the temporal retrieval model that integrates explicit temporal signals by incorporating query timestamps and document dates into the representation space. Our approach ensures that retrieved passages are not only topically relevant but also temporally aligned with user intent. We evaluate our approach on two large-scale benchmark datasets, ArchivalQA and ChroniclingAmericaQA, achieving substantial performance gains over standard retrieval baselines. In particular, our model improves Top-1 retrieval accuracy by 6.63% and NDCG@10 by 3.79% on ArchivalQA, while yielding a 9.56% boost in Top-1 retrieval accuracy and 4.68% in NDCG@10 on ChroniclingAmericaQA. Additionally, we introduce a time-sensitive negative sampling strategy, which refines the model's ability to distinguish between temporally relevant and irrelevant documents during training. Our findings highlight the importance of explicitly modeling time in retrieval systems and set a new standard for handling temporally grounded queries.
☆ The RAG Paradox: A Black-Box Attack Exploiting Unintentional Vulnerabilities in Retrieval-Augmented Generation Systems
With the growing adoption of retrieval-augmented generation (RAG) systems, recent studies have introduced attack methods aimed at degrading their performance. However, these methods rely on unrealistic white-box assumptions, such as attackers having access to RAG systems' internal processes. To address this issue, we introduce a realistic black-box attack scenario based on the RAG paradox, where RAG systems inadvertently expose vulnerabilities while attempting to enhance trustworthiness. Because RAG systems reference external documents during response generation, our attack targets these sources without requiring internal access. Our approach first identifies the external sources disclosed by RAG systems and then automatically generates poisoned documents with misinformation designed to match these sources. Finally, these poisoned documents are newly published on the disclosed sources, disrupting the RAG system's response generation process. Both offline and online experiments confirm that this attack significantly reduces RAG performance without requiring internal access. Furthermore, from an insider perspective within the RAG system, we propose a re-ranking method that acts as a fundamental safeguard, offering minimal protection against unforeseen attacks.
☆ Variations in Relevance Judgments and the Shelf Life of Test Collections
The fundamental property of Cranfield-style evaluations, that system rankings are stable even when assessors disagree on individual relevance decisions, was validated on traditional test collections. However, the paradigm shift towards neural retrieval models affected the characteristics of modern test collections, e.g., documents are short, judged with four grades of relevance, and information needs have no descriptions or narratives. Under these changes, it is unclear whether assessor disagreement remains negligible for system comparisons. We investigate this aspect under the additional condition that the few modern test collections are heavily re-used. Given more possible query interpretations due to less formalized information needs, an ''expiration date'' for test collections might be needed if top-effectiveness requires overfitting to a single interpretation of relevance. We run a reproducibility study and re-annotate the relevance judgments of the 2019 TREC Deep Learning track. We can reproduce prior work in the neural retrieval setting, showing that assessor disagreement does not affect system rankings. However, we observe that some models substantially degrade with our new relevance judgments, and some have already reached the effectiveness of humans as rankers, providing evidence that test collections can expire.
comment: 11 pages, 6 tables, 5 figures
☆ WebFAQ: A Multilingual Collection of Natural Q&A Datasets for Dense Retrieval
We present WebFAQ, a large-scale collection of open-domain question answering datasets derived from FAQ-style schema.org annotations. In total, the data collection consists of 96 million natural question-answer (QA) pairs across 75 languages, including 47 million (49%) non-English samples. WebFAQ further serves as the foundation for 20 monolingual retrieval benchmarks with a total size of 11.2 million QA pairs (5.9 million non-English). These datasets are carefully curated through refined filtering and near-duplicate detection, yielding high-quality resources for training and evaluating multilingual dense retrieval models. To empirically confirm WebFAQ's efficacy, we use the collected QAs to fine-tune an in-domain pretrained XLM-RoBERTa model. Through this process of dataset-specific fine-tuning, the model achieves significant retrieval performance gains, which generalize - beyond WebFAQ - to other multilingual retrieval benchmarks evaluated in zero-shot setting. Last but not least, we utilize WebFAQ to construct a set of QA-aligned bilingual corpora spanning over 1000 language pairs using state-of-the-art bitext mining and automated LLM-assessed translation evaluation. Due to our advanced, automated method of bitext dataset generation, the resulting bilingual corpora demonstrate higher translation quality compared to similar datasets. WebFAQ and all associated resources are publicly available on GitHub and HuggingFace.
comment: 10 pages, 3 figures, 7 tables
☆ CoTMR: Chain-of-Thought Multi-Scale Reasoning for Training-Free Zero-Shot Composed Image Retrieval
Zero-Shot Composed Image Retrieval (ZS-CIR) aims to retrieve target images by integrating information from a composed query (reference image and modification text) without training samples. Existing methods primarily combine caption models and large language models (LLMs) to generate target captions based on composed queries but face various issues such as incompatibility, visual information loss, and insufficient reasoning. In this work, we propose CoTMR, a training-free framework crafted for ZS-CIR with novel Chain-of-thought (CoT) and Multi-scale Reasoning. Instead of relying on caption models for modality transformation, CoTMR employs the Large Vision-Language Model (LVLM) to achieve unified understanding and reasoning for composed queries. To enhance the reasoning reliability, we devise CIRCoT, which guides the LVLM through a step-by-step inference process using predefined subtasks. Considering that existing approaches focus solely on global-level reasoning, our CoTMR incorporates multi-scale reasoning to achieve more comprehensive inference via fine-grained predictions about the presence or absence of key elements at the object scale. Further, we design a Multi-Grained Scoring (MGS) mechanism, which integrates CLIP similarity scores of the above reasoning outputs with candidate images to realize precise retrieval. Extensive experiments demonstrate that our CoTMR not only drastically outperforms previous methods across four prominent benchmarks but also offers appealing interpretability.
☆ Scalable Overload-Aware Graph-Based Index Construction for 10-Billion-Scale Vector Similarity Search WWW'25
Approximate Nearest Neighbor Search (ANNS) is essential for modern data-driven applications that require efficient retrieval of top-k results from massive vector databases. Although existing graph-based ANNS algorithms achieve a high recall rate on billion-scale datasets, their slow construction speed and limited scalability hinder their applicability to large-scale industrial scenarios. In this paper, we introduce SOGAIC, the first Scalable Overload-Aware Graph-Based ANNS Index Construction system tailored for ultra-large-scale vector databases: 1) We propose a dynamic data partitioning algorithm with overload constraints that adaptively introduces overlaps among subsets; 2) To enable efficient distributed subgraph construction, we employ a load-balancing task scheduling framework combined with an agglomerative merging strategy; 3) Extensive experiments on various datasets demonstrate a reduction of 47.3% in average construction time compared to existing methods. The proposed method has also been successfully deployed in a real-world industrial search engine, managing over 10 billion daily updated vectors and serving hundreds of millions of users.
comment: Accepted by WWW'25
☆ Unleashing the Potential of Two-Tower Models: Diffusion-Based Cross-Interaction for Large-Scale Matching
Two-tower models are widely adopted in the industrial-scale matching stage across a broad range of application domains, such as content recommendations, advertisement systems, and search engines. This model efficiently handles large-scale candidate item screening by separating user and item representations. However, the decoupling network also leads to a neglect of potential information interaction between the user and item representations. Current state-of-the-art (SOTA) approaches include adding a shallow fully connected layer(i.e., COLD), which is limited by performance and can only be used in the ranking stage. For performance considerations, another approach attempts to capture historical positive interaction information from the other tower by regarding them as the input features(i.e., DAT). Later research showed that the gains achieved by this method are still limited because of lacking the guidance on the next user intent. To address the aforementioned challenges, we propose a "cross-interaction decoupling architecture" within our matching paradigm. This user-tower architecture leverages a diffusion module to reconstruct the next positive intention representation and employs a mixed-attention module to facilitate comprehensive cross-interaction. During the next positive intention generation, we further enhance the accuracy of its reconstruction by explicitly extracting the temporal drift within user behavior sequences. Experiments on two real-world datasets and one industrial dataset demonstrate that our method outperforms the SOTA two-tower models significantly, and our diffusion approach outperforms other generative models in reconstructing item representations.
☆ LexRAG: Benchmarking Retrieval-Augmented Generation in Multi-Turn Legal Consultation Conversation
Retrieval-augmented generation (RAG) has proven highly effective in improving large language models (LLMs) across various domains. However, there is no benchmark specifically designed to assess the effectiveness of RAG in the legal domain, which restricts progress in this area. To fill this gap, we propose LexRAG, the first benchmark to evaluate RAG systems for multi-turn legal consultations. LexRAG consists of 1,013 multi-turn dialogue samples and 17,228 candidate legal articles. Each sample is annotated by legal experts and consists of five rounds of progressive questioning. LexRAG includes two key tasks: (1) Conversational knowledge retrieval, requiring accurate retrieval of relevant legal articles based on multi-turn context. (2) Response generation, focusing on producing legally sound answers. To ensure reliable reproducibility, we develop LexiT, a legal RAG toolkit that provides a comprehensive implementation of RAG system components tailored for the legal domain. Additionally, we introduce an LLM-as-a-judge evaluation pipeline to enable detailed and effective assessment. Through experimental analysis of various LLMs and retrieval methods, we reveal the key limitations of existing RAG systems in handling legal consultation conversations. LexRAG establishes a new benchmark for the practical application of RAG systems in the legal domain, with its code and data available at https://github.com/CSHaitao/LexRAG.
comment: 10 pages
♻ ☆ TSPRank: Bridging Pairwise and Listwise Methods with a Bilinear Travelling Salesman Model KDD 2025
Traditional Learning-To-Rank (LETOR) approaches, including pairwise methods like RankNet and LambdaMART, often fall short by solely focusing on pairwise comparisons, leading to sub-optimal global rankings. Conversely, deep learning based listwise methods, while aiming to optimise entire lists, require complex tuning and yield only marginal improvements over robust pairwise models. To overcome these limitations, we introduce Travelling Salesman Problem Rank (TSPRank), a hybrid pairwise-listwise ranking method. TSPRank reframes the ranking problem as a Travelling Salesman Problem (TSP), a well-known combinatorial optimisation challenge that has been extensively studied for its numerous solution algorithms and applications. This approach enables the modelling of pairwise relationships and leverages combinatorial optimisation to determine the listwise ranking. This approach can be directly integrated as an additional component into embeddings generated by existing backbone models to enhance ranking performance. Our extensive experiments across three backbone models on diverse tasks, including stock ranking, information retrieval, and historical events ordering, demonstrate that TSPRank significantly outperforms both pure pairwise and listwise methods. Our qualitative analysis reveals that TSPRank's main advantage over existing methods is its ability to harness global information better while ranking. TSPRank's robustness and superior performance across different domains highlight its potential as a versatile and effective LETOR solution.
comment: Accepted to ACM SIGKDD 2025 Research Track. The code and preprocessed data are available at https://github.com/waylonli/TSPRank-KDD2025
♻ ☆ LoRec: Large Language Model for Robust Sequential Recommendation against Poisoning Attacks
Sequential recommender systems stand out for their ability to capture users' dynamic interests and the patterns of item-to-item transitions. However, the inherent openness of sequential recommender systems renders them vulnerable to poisoning attacks, where fraudulent users are injected into the training data to manipulate learned patterns. Traditional defense strategies predominantly depend on predefined assumptions or rules extracted from specific known attacks, limiting their generalizability to unknown attack types. To solve the above problems, considering the rich open-world knowledge encapsulated in Large Language Models (LLMs), our research initially focuses on the capabilities of LLMs in the detection of unknown fraudulent activities within recommender systems, a strategy we denote as LLM4Dec. Empirical evaluations demonstrate the substantial capability of LLMs in identifying unknown fraudsters, leveraging their expansive, open-world knowledge. Building upon this, we propose the integration of LLMs into defense strategies to extend their effectiveness beyond the confines of known attacks. We propose LoRec, an advanced framework that employs LLM-Enhanced Calibration to strengthen the robustness of sequential recommender systems against poisoning attacks. LoRec integrates an LLM-enhanced CalibraTor (LCT) that refines the training process of sequential recommender systems with knowledge derived from LLMs, applying a user-wise reweighting to diminish the impact of fraudsters injected by attacks. By incorporating LLMs' open-world knowledge, the LCT effectively converts the limited, specific priors or rules into a more general pattern of fraudsters, offering improved defenses against poisoning attacks. Our comprehensive experiments validate that LoRec, as a general framework, significantly strengthens the robustness of sequential recommender systems.
♻ ☆ Eliciting In-context Retrieval and Reasoning for Long-context Large Language Models
Recent advancements in long-context language models (LCLMs) promise to transform Retrieval-Augmented Generation (RAG) by simplifying pipelines. With their expanded context windows, LCLMs can process entire knowledge bases and perform retrieval and reasoning directly -- a capability we define as In-Context Retrieval and Reasoning (ICR^2). However, existing benchmarks like LOFT often overestimate LCLM performance by providing overly simplified contexts. To address this, we introduce ICR^2, a benchmark that evaluates LCLMs in more realistic scenarios by including confounding passages retrieved with strong retrievers. We then propose three methods to enhance LCLM performance: (1) retrieve-then-generate fine-tuning, (2) retrieval-attention-probing, which uses attention heads to filter and de-noise long contexts during decoding, and (3) joint retrieval head training alongside the generation head. Our evaluation of five well-known LCLMs on LOFT and ICR^2 demonstrates significant gains with our best approach applied to Mistral-7B: +17 and +15 points by Exact Match on LOFT, and +13 and +2 points on ICR^2, compared to vanilla RAG and supervised fine-tuning, respectively. It even outperforms GPT-4-Turbo on most tasks despite being a much smaller model.
♻ ☆ ColPali: Efficient Document Retrieval with Vision Language Models ICLR 2025
Documents are visually rich structures that convey information through text, but also figures, page layouts, tables, or even fonts. Since modern retrieval systems mainly rely on the textual information they extract from document pages to index documents -often through lengthy and brittle processes-, they struggle to exploit key visual cues efficiently. This limits their capabilities in many practical document retrieval applications such as Retrieval Augmented Generation (RAG). To benchmark current systems on visually rich document retrieval, we introduce the Visual Document Retrieval Benchmark ViDoRe, composed of various page-level retrieval tasks spanning multiple domains, languages, and practical settings. The inherent complexity and performance shortcomings of modern systems motivate a new concept; doing document retrieval by directly embedding the images of the document pages. We release ColPali, a Vision Language Model trained to produce high-quality multi-vector embeddings from images of document pages. Combined with a late interaction matching mechanism, ColPali largely outperforms modern document retrieval pipelines while being drastically simpler, faster and end-to-end trainable. We release models, data, code and benchmarks under open licenses at https://hf.co/vidore.
comment: Published as a conference paper at ICLR 2025
♻ ☆ A Theory for Token-Level Harmonization in Retrieval-Augmented Generation ICLR 2025
Retrieval-augmented generation (RAG) utilizes retrieved texts to enhance large language models (LLMs). Studies show that while RAG provides valuable external information (benefit), it may also mislead LLMs (detriment) with noisy or incorrect retrieved texts. Although many existing methods attempt to preserve benefit and avoid detriment, they lack a theoretical explanation for RAG. The benefit and detriment in the next token prediction of RAG remain a black box that cannot be quantified or compared in an explainable manner, so existing methods are data-driven, need additional utility evaluators or post-hoc. This paper takes the first step towards providing a theory to explain and trade off the benefit and detriment in RAG. First, we model RAG as the fusion between distribution of LLMs knowledge and distribution of retrieved texts. Then, we formalize the trade-off between the value of external knowledge (benefit) and its potential risk of misleading LLMs (detriment) in next token prediction of RAG by distribution difference in this fusion. Finally, we prove that the actual effect of RAG on the token, which is the comparison between benefit and detriment, can be predicted without any training or accessing the utility of retrieval. Based on our theory, we propose a practical novel method, Tok-RAG, which achieves collaborative generation between the pure LLM and RAG at token level to preserve benefit and avoid detriment. Experiments in real-world tasks using LLMs such as OPT, LLaMA-2, and Mistral show the effectiveness of our method and support our theoretical findings.
comment: ICLR 2025
Machine Learning 150
☆ Unsupervised Parameter Efficient Source-free Post-pretraining
Following the success in NLP, the best vision models are now in the billion parameter ranges. Adapting these large models to a target distribution has become computationally and economically prohibitive. Addressing this challenge, we introduce UpStep, an Unsupervised Parameter-efficient Source-free post-pretraining approach, designed to efficiently adapt a base model from a source domain to a target domain: i) we design a self-supervised training scheme to adapt a pretrained model on an unlabeled target domain in a setting where source domain data is unavailable. Such source-free setting comes with the risk of catastrophic forgetting, hence, ii) we propose center vector regularization (CVR), a set of auxiliary operations that minimize catastrophic forgetting and additionally reduces the computational cost by skipping backpropagation in 50\% of the training iterations. Finally iii) we perform this adaptation process in a parameter-efficient way by adapting the pretrained model through low-rank adaptation methods, resulting in a fraction of parameters to optimize. We utilize various general backbone architectures, both supervised and unsupervised, trained on Imagenet as our base model and adapt them to a diverse set of eight target domains demonstrating the adaptability and generalizability of our proposed approach.
☆ FANformer: Improving Large Language Models Through Effective Periodicity Modeling
Periodicity, as one of the most important basic characteristics, lays the foundation for facilitating structured knowledge acquisition and systematic cognitive processes within human learning paradigms. However, the potential flaws of periodicity modeling in Transformer affect the learning efficiency and establishment of underlying principles from data for large language models (LLMs) built upon it. In this paper, we demonstrate that integrating effective periodicity modeling can improve the learning efficiency and performance of LLMs. We introduce FANformer, which integrates Fourier Analysis Network (FAN) into attention mechanism to achieve efficient periodicity modeling, by modifying the feature projection process of attention mechanism. Extensive experimental results on language modeling show that FANformer consistently outperforms Transformer when scaling up model size and training tokens, underscoring its superior learning efficiency. To further validate the effectiveness of FANformer, we pretrain a FANformer-1B on 1 trillion tokens. FANformer-1B exhibits marked improvements on downstream tasks compared to open-source LLMs with similar model parameters or training tokens. The results position FANformer as an effective and promising architecture for advancing LLMs.
☆ Clustering Context in Off-Policy Evaluation AISTATS 2025
Off-policy evaluation can leverage logged data to estimate the effectiveness of new policies in e-commerce, search engines, media streaming services, or automatic diagnostic tools in healthcare. However, the performance of baseline off-policy estimators like IPS deteriorates when the logging policy significantly differs from the evaluation policy. Recent work proposes sharing information across similar actions to mitigate this problem. In this work, we propose an alternative estimator that shares information across similar contexts using clustering. We study the theoretical properties of the proposed estimator, characterizing its bias and variance under different conditions. We also compare the performance of the proposed estimator and existing approaches in various synthetic problems, as well as a real-world recommendation dataset. Our experimental results confirm that clustering contexts improves estimation accuracy, especially in deficient information settings.
comment: 35 pages, 25 figures, 2 tables. AISTATS 2025
☆ Contextualizing biological perturbation experiments through language
High-content perturbation experiments allow scientists to probe biomolecular systems at unprecedented resolution, but experimental and analysis costs pose significant barriers to widespread adoption. Machine learning has the potential to guide efficient exploration of the perturbation space and extract novel insights from these data. However, current approaches neglect the semantic richness of the relevant biology, and their objectives are misaligned with downstream biological analyses. In this paper, we hypothesize that large language models (LLMs) present a natural medium for representing complex biological relationships and rationalizing experimental outcomes. We propose PerturbQA, a benchmark for structured reasoning over perturbation experiments. Unlike current benchmarks that primarily interrogate existing knowledge, PerturbQA is inspired by open problems in perturbation modeling: prediction of differential expression and change of direction for unseen perturbations, and gene set enrichment. We evaluate state-of-the-art machine learning and statistical approaches for modeling perturbations, as well as standard LLM reasoning strategies, and we find that current methods perform poorly on PerturbQA. As a proof of feasibility, we introduce Summer (SUMMarize, retrievE, and answeR, a simple, domain-informed LLM framework that matches or exceeds the current state-of-the-art. Our code and data are publicly available at https://github.com/genentech/PerturbQA.
comment: The Thirteenth International Conference on Learning Representations (2025)
☆ Enabling AutoML for Zero-Touch Network Security: Use-Case Driven Analysis
Zero-Touch Networks (ZTNs) represent a state-of-the-art paradigm shift towards fully automated and intelligent network management, enabling the automation and intelligence required to manage the complexity, scale, and dynamic nature of next-generation (6G) networks. ZTNs leverage Artificial Intelligence (AI) and Machine Learning (ML) to enhance operational efficiency, support intelligent decision-making, and ensure effective resource allocation. However, the implementation of ZTNs is subject to security challenges that need to be resolved to achieve their full potential. In particular, two critical challenges arise: the need for human expertise in developing AI/ML-based security mechanisms, and the threat of adversarial attacks targeting AI/ML models. In this survey paper, we provide a comprehensive review of current security issues in ZTNs, emphasizing the need for advanced AI/ML-based security mechanisms that require minimal human intervention and protect AI/ML models themselves. Furthermore, we explore the potential of Automated ML (AutoML) technologies in developing robust security solutions for ZTNs. Through case studies, we illustrate practical approaches to securing ZTNs against both conventional and AI/ML-specific threats, including the development of autonomous intrusion detection systems and strategies to combat Adversarial ML (AML) attacks. The paper concludes with a discussion of the future research directions for the development of ZTN security approaches.
comment: Published in IEEE Transactions on Network and Service Management (TNSM); Code is available at Github link: https://github.com/Western-OC2-Lab/AutoML-and-Adversarial-Attack-Defense-for-Zero-Touch-Network-Security
☆ Controlled Model Debiasing through Minimal and Interpretable Updates
Traditional approaches to learning fair machine learning models often require rebuilding models from scratch, generally without accounting for potentially existing previous models. In a context where models need to be retrained frequently, this can lead to inconsistent model updates, as well as redundant and costly validation testing. To address this limitation, we introduce the notion of controlled model debiasing, a novel supervised learning task relying on two desiderata: that the differences between new fair model and the existing one should be (i) interpretable and (ii) minimal. After providing theoretical guarantees to this new problem, we introduce a novel algorithm for algorithmic fairness, COMMOD, that is both model-agnostic and does not require the sensitive attribute at test time. In addition, our algorithm is explicitly designed to enforce minimal and interpretable changes between biased and debiased predictions -a property that, while highly desirable in high-stakes applications, is rarely prioritized as an explicit objective in fairness literature. Our approach combines a concept-based architecture and adversarial learning and we demonstrate through empirical results that it achieves comparable performance to state-of-the-art debiasing methods while performing minimal and interpretable prediction changes.
☆ L-Lipschitz Gershgorin ResNet Network
Deep residual networks (ResNets) have demonstrated outstanding success in computer vision tasks, attributed to their ability to maintain gradient flow through deep architectures. Simultaneously, controlling the Lipschitz bound in neural networks has emerged as an essential area of research for enhancing adversarial robustness and network certifiability. This paper uses a rigorous approach to design $\mathcal{L}$-Lipschitz deep residual networks using a Linear Matrix Inequality (LMI) framework. The ResNet architecture was reformulated as a pseudo-tri-diagonal LMI with off-diagonal elements and derived closed-form constraints on network parameters to ensure $\mathcal{L}$-Lipschitz continuity. To address the lack of explicit eigenvalue computations for such matrix structures, the Gershgorin circle theorem was employed to approximate eigenvalue locations, guaranteeing the LMI's negative semi-definiteness. Our contributions include a provable parameterization methodology for constructing Lipschitz-constrained networks and a compositional framework for managing recursive systems within hierarchical architectures. These findings enable robust network designs applicable to adversarial robustness, certified training, and control systems. However, a limitation was identified in the Gershgorin-based approximations, which over-constrain the system, suppressing non-linear dynamics and diminishing the network's expressive capacity.
comment: 10 pages, 6 figures
☆ Does Generation Require Memorization? Creative Diffusion Models using Ambient Diffusion
There is strong empirical evidence that the state-of-the-art diffusion modeling paradigm leads to models that memorize the training set, especially when the training set is small. Prior methods to mitigate the memorization problem often lead to a decrease in image quality. Is it possible to obtain strong and creative generative models, i.e., models that achieve high generation quality and low memorization? Despite the current pessimistic landscape of results, we make significant progress in pushing the trade-off between fidelity and memorization. We first provide theoretical evidence that memorization in diffusion models is only necessary for denoising problems at low noise scales (usually used in generating high-frequency details). Using this theoretical insight, we propose a simple, principled method to train the diffusion models using noisy data at large noise scales. We show that our method significantly reduces memorization without decreasing the image quality, for both text-conditional and unconditional models and for a variety of data availability settings.
comment: 33 pages
☆ BAnG: Bidirectional Anchored Generation for Conditional RNA Design
Designing RNA molecules that interact with specific proteins is a critical challenge in experimental and computational biology. Existing computational approaches require a substantial amount of experimentally determined RNA sequences for each specific protein or a detailed knowledge of RNA structure, restricting their utility in practice. To address this limitation, we develop RNA-BAnG, a deep learning-based model designed to generate RNA sequences for protein interactions without these requirements. Central to our approach is a novel generative method, Bidirectional Anchored Generation (BAnG), which leverages the observation that protein-binding RNA sequences often contain functional binding motifs embedded within broader sequence contexts. We first validate our method on generic synthetic tasks involving similar localized motifs to those appearing in RNAs, demonstrating its benefits over existing generative approaches. We then evaluate our model on biological sequences, showing its effectiveness for conditional RNA sequence design given a binding protein.
☆ Adaptive Keyframe Sampling for Long Video Understanding CVPR2025
Multimodal large language models (MLLMs) have enabled open-world visual understanding by injecting visual input as extra tokens into large language models (LLMs) as contexts. However, when the visual input changes from a single image to a long video, the above paradigm encounters difficulty because the vast amount of video tokens has significantly exceeded the maximal capacity of MLLMs. Therefore, existing video-based MLLMs are mostly established upon sampling a small portion of tokens from input data, which can cause key information to be lost and thus produce incorrect answers. This paper presents a simple yet effective algorithm named Adaptive Keyframe Sampling (AKS). It inserts a plug-and-play module known as keyframe selection, which aims to maximize the useful information with a fixed number of video tokens. We formulate keyframe selection as an optimization involving (1) the relevance between the keyframes and the prompt, and (2) the coverage of the keyframes over the video, and present an adaptive algorithm to approximate the best solution. Experiments on two long video understanding benchmarks validate that Adaptive Keyframe Sampling improves video QA accuracy (beyond strong baselines) upon selecting informative keyframes. Our study reveals the importance of information pre-filtering in video-based MLLMs. Code is available at https://github.com/ncTimTang/AKS.
comment: CVPR2025
☆ Dynamical Decoupling of Generalization and Overfitting in Large Two-Layer Networks
The inductive bias and generalization properties of large machine learning models are -- to a substantial extent -- a byproduct of the optimization algorithm used for training. Among others, the scale of the random initialization, the learning rate, and early stopping all have crucial impact on the quality of the model learnt by stochastic gradient descent or related algorithms. In order to understand these phenomena, we study the training dynamics of large two-layer neural networks. We use a well-established technique from non-equilibrium statistical physics (dynamical mean field theory) to obtain an asymptotic high-dimensional characterization of this dynamics. This characterization applies to a Gaussian approximation of the hidden neurons non-linearity, and empirically captures well the behavior of actual neural network models. Our analysis uncovers several interesting new phenomena in the training dynamics: $(i)$ The emergence of a slow time scale associated with the growth in Gaussian/Rademacher complexity; $(ii)$ As a consequence, algorithmic inductive bias towards small complexity, but only if the initialization has small enough complexity; $(iii)$ A separation of time scales between feature learning and overfitting; $(iv)$ A non-monotone behavior of the test error and, correspondingly, a `feature unlearning' phase at large times.
comment: 89 pages; 62 pdf figures
☆ Modeling Human Beliefs about AI Behavior for Scalable Oversight
Contemporary work in AI alignment often relies on human feedback to teach AI systems human preferences and values. Yet as AI systems grow more capable, human feedback becomes increasingly unreliable. This raises the problem of scalable oversight: How can we supervise AI systems that exceed human capabilities? In this work, we propose to model the human evaluator's beliefs about the AI system's behavior to better interpret the human's feedback. We formalize human belief models and theoretically analyze their role in inferring human values. We then characterize the remaining ambiguity in this inference and conditions for which the ambiguity disappears. To mitigate reliance on exact belief models, we then introduce the relaxation of human belief model covering. Finally, we propose using foundation models to construct covering belief models, providing a new potential approach to scalable oversight.
comment: 53 pages
☆ ALVI Interface: Towards Full Hand Motion Decoding for Amputees Using sEMG
We present a system for decoding hand movements using surface EMG signals. The interface provides real-time (25 Hz) reconstruction of finger joint angles across 20 degrees of freedom, designed for upper limb amputees. Our offline analysis shows 0.8 correlation between predicted and actual hand movements. The system functions as an integrated pipeline with three key components: (1) a VR-based data collection platform, (2) a transformer-based model for EMG-to-motion transformation, and (3) a real-time calibration and feedback module called ALVI Interface. Using eight sEMG sensors and a VR training environment, users can control their virtual hand down to finger joint movement precision, as demonstrated in our video: youtube link.
comment: 6 pages, video demo: https://youtu.be/Dx_6Id2clZ0?si=je2UYDDJ6VEFwLL8
☆ TimesBERT: A BERT-Style Foundation Model for Time Series Understanding
Time series analysis is crucial in diverse scenarios. Beyond forecasting, considerable real-world tasks are categorized into classification, imputation, and anomaly detection, underscoring different capabilities termed time series understanding in this paper. While GPT-style models have been positioned as foundation models for time series forecasting, the BERT-style architecture, which has made significant advances in natural language understanding, has not been fully unlocked for time series understanding, possibly attributed to the undesirable dropout of essential elements of BERT. In this paper, inspired by the shared multi-granularity structure between multivariate time series and multisentence documents, we design TimesBERT to learn generic representations of time series including temporal patterns and variate-centric characteristics. In addition to a natural adaptation of masked modeling, we propose a parallel task of functional token prediction to embody vital multi-granularity structures. Our model is pre-trained on 260 billion time points across diverse domains. Leveraging multi-granularity representations, TimesBERT achieves state-of-the-art performance across four typical downstream understanding tasks, outperforming task-specific models and language pre-trained backbones, positioning it as a versatile foundation model for time series understanding.
☆ The Structural Complexity of Matrix-Vector Multiplication
We consider the problem of preprocessing an $n\times n$ matrix M, and supporting queries that, for any vector v, returns the matrix-vector product Mv. This problem has been extensively studied in both theory and practice: on one side, practitioners have developed algorithms that are highly efficient in practice, whereas theoreticians have proven that the problem cannot be solved faster than naive multiplication in the worst-case. This lower bound holds even in the average-case, implying that existing average-case analyses cannot explain this gap between theory and practice. Therefore, we study the problem for structured matrices. We show that for $n\times n$ matrices of VC-dimension d, the matrix-vector multiplication problem can be solved with $\tilde{O}(n^2)$ preprocessing and $\tilde O(n^{2-1/d})$ query time. Given the low constant VC-dimensions observed in most real-world data, our results posit an explanation for why the problem can be solved so much faster in practice. Moreover, our bounds hold even if the matrix does not have a low VC-dimension, but is obtained by (possibly adversarially) corrupting at most a subquadratic number of entries of any unknown low VC-dimension matrix. Our results yield the first non-trivial upper bounds for many applications. In previous works, the online matrix-vector hypothesis (conjecturing that quadratic time is needed per query) was used to prove many conditional lower bounds, showing that it is impossible to compute and maintain high-accuracy estimates for shortest paths, Laplacian solvers, effective resistance, and triangle detection in graphs subject to node insertions and deletions in subquadratic time. Yet, via a reduction to our matrix-vector-multiplication result, we show we can maintain the aforementioned problems efficiently if the input is structured, providing the first subquadratic upper bounds in the high-accuracy regime.
comment: 36 pages
☆ ByteScale: Efficient Scaling of LLM Training with a 2048K Context Length on More Than 12,000 GPUs
Scaling long-context ability is essential for Large Language Models (LLMs). To amortize the memory consumption across multiple devices in long-context training, inter-data partitioning (a.k.a. Data Parallelism) and intra-data partitioning (a.k.a. Context Parallelism) are commonly used. Current training frameworks predominantly treat the two techniques as orthogonal, and establish static communication groups to organize the devices as a static mesh (e.g., a 2D mesh). However, the sequences for LLM training typically vary in lengths, no matter for texts, multi-modalities or reinforcement learning. The mismatch between data heterogeneity and static mesh causes redundant communication and imbalanced computation, degrading the training efficiency. In this work, we introduce ByteScale, an efficient, flexible, and scalable LLM training framework for large-scale mixed training of long and short sequences. The core of ByteScale is a novel parallelism strategy, namely Hybrid Data Parallelism (HDP), which unifies the inter- and intra-data partitioning with a dynamic mesh design. In particular, we build a communication optimizer, which eliminates the redundant communication for short sequences by data-aware sharding and dynamic communication, and further compresses the communication cost for long sequences by selective offloading. Besides, we also develop a balance scheduler to mitigate the imbalanced computation by parallelism-aware data assignment. We evaluate ByteScale with the model sizes ranging from 7B to 141B, context lengths from 256K to 2048K, on a production cluster with more than 12,000 GPUs. Experiment results show that ByteScale outperforms the state-of-the-art training system by up to 7.89x.
comment: 12 pages, 21 figures
☆ A Method of Selective Attention for Reservoir Based Agents
Training of deep reinforcement learning agents is slowed considerably by the presence of input dimensions that do not usefully condition the reward function. Existing modules such as layer normalization can be trained with weight decay to act as a form of selective attention, i.e. an input mask, that shrinks the scale of unnecessary inputs, which in turn accelerates training of the policy. However, we find a surprising result that adding numerous parameters to the computation of the input mask results in much faster training. A simple, high dimensional masking module is compared with layer normalization and a model without any input suppression. The high dimensional mask resulted in a four-fold speedup in training over the null hypothesis and a two-fold speedup in training over the layer normalization method.
comment: 6 pages, 2 figures
Transformers Learn to Implement Multi-step Gradient Descent with Chain of Thought ICLR 2025
Chain of Thought (CoT) prompting has been shown to significantly improve the performance of large language models (LLMs), particularly in arithmetic and reasoning tasks, by instructing the model to produce intermediate reasoning steps. Despite the remarkable empirical success of CoT and its theoretical advantages in enhancing expressivity, the mechanisms underlying CoT training remain largely unexplored. In this paper, we study the training dynamics of transformers over a CoT objective on an in-context weight prediction task for linear regression. We prove that while a one-layer linear transformer without CoT can only implement a single step of gradient descent (GD) and fails to recover the ground-truth weight vector, a transformer with CoT prompting can learn to perform multi-step GD autoregressively, achieving near-exact recovery. Furthermore, we show that the trained transformer effectively generalizes on the unseen data. With our technique, we also show that looped transformers significantly improve final performance compared to transformers without looping in the in-context learning of linear regression. Empirically, we demonstrate that CoT prompting yields substantial performance improvements.
comment: ICLR 2025 Spotlight
☆ ARIES: Autonomous Reasoning with LLMs on Interactive Thought Graph Environments
Recent research has shown that LLM performance on reasoning tasks can be enhanced by scaling test-time compute. One promising approach, particularly with decomposable problems, involves arranging intermediate solutions as a graph on which transformations are performed to explore the solution space. However, prior works rely on pre-determined, task-specific transformation schedules which are subject to a set of searched hyperparameters. In this work, we view thought graph transformations as actions in a Markov decision process, and implement policy agents to drive effective action policies for the underlying reasoning LLM agent. In particular, we investigate the ability for another LLM to act as a policy agent on thought graph environments and introduce ARIES, a multi-agent architecture for reasoning with LLMs. In ARIES, reasoning LLM agents solve decomposed subproblems, while policy LLM agents maintain visibility of the thought graph states, and dynamically adapt the problem-solving strategy. Through extensive experiments, we observe that using off-the-shelf LLMs as policy agents with no supervised fine-tuning (SFT) can yield up to $29\%$ higher accuracy on HumanEval relative to static transformation schedules, as well as reducing inference costs by $35\%$ and avoid any search requirements. We also conduct a thorough analysis of observed failure modes, highlighting that limitations on LLM sizes and the depth of problem decomposition can be seen as challenges to scaling LLM-guided reasoning.
☆ AMPLE: Event-Driven Accelerator for Mixed-Precision Inference of Graph Neural Networks
Graph Neural Networks (GNNs) have recently gained attention due to their performance on non-Euclidean data. The use of custom hardware architectures proves particularly beneficial for GNNs due to their irregular memory access patterns, resulting from the sparse structure of graphs. However, existing FPGA accelerators are limited by their double buffering mechanism, which doesn't account for the irregular node distribution in typical graph datasets. To address this, we introduce \textbf{AMPLE} (Accelerated Message Passing Logic Engine), an FPGA accelerator leveraging a new event-driven programming flow. We develop a mixed-arithmetic architecture, enabling GNN inference to be quantized at a node-level granularity. Finally, prefetcher for data and instructions is implemented to optimize off-chip memory access and maximize node parallelism. Evaluation on citation and social media graph datasets ranging from $2$K to $700$K nodes showed a mean speedup of $243\times$ and $7.2\times$ against CPU and GPU counterparts, respectively.
☆ Class prior estimation for positive-unlabeled learning when label shift occurs
We study estimation of class prior for unlabeled target samples which is possibly different from that of source population. It is assumed that for the source data only samples from positive class and from the whole population are available (PU learning scenario). We introduce a novel direct estimator of class prior which avoids estimation of posterior probabilities and has a simple geometric interpretation. It is based on a distribution matching technique together with kernel embedding and is obtained as an explicit solution to an optimisation task. We establish its asymptotic consistency as well as a non-asymptotic bound on its deviation from the unknown prior, which is calculable in practice. We study finite sample behaviour for synthetic and real data and show that the proposal, together with a suitably modified version for large values of source prior, works on par or better than its competitors.
☆ Geodesic Slice Sampler for Multimodal Distributions with Strong Curvature
Traditional Markov Chain Monte Carlo sampling methods often struggle with sharp curvatures, intricate geometries, and multimodal distributions. Slice sampling can resolve local exploration inefficiency issues and Riemannian geometries help with sharp curvatures. Recent extensions enable slice sampling on Riemannian manifolds, but they are restricted to cases where geodesics are available in closed form. We propose a method that generalizes Hit-and-Run slice sampling to more general geometries tailored to the target distribution, by approximating geodesics as solutions to differential equations. Our approach enables exploration of regions with strong curvature and rapid transitions between modes in multimodal distributions. We demonstrate the advantages of the approach over challenging sampling problems.
☆ SYN-LUNGS: Towards Simulating Lung Nodules with Anatomy-Informed Digital Twins for AI Training
AI models for lung cancer screening are limited by data scarcity, impacting generalizability and clinical applicability. Generative models address this issue but are constrained by training data variability. We introduce SYN-LUNGS, a framework for generating high-quality 3D CT images with detailed annotations. SYN-LUNGS integrates XCAT3 phantoms for digital twin generation, X-Lesions for nodule simulation (varying size, location, and appearance), and DukeSim for CT image formation with vendor and parameter variability. The dataset includes 3,072 nodule images from 1,044 simulated CT scans, with 512 lesions and 174 digital twins. Models trained on clinical + simulated data outperform clinical only models, achieving 10% improvement in detection, 2-9% in segmentation and classification, and enhanced synthesis.By incorporating anatomy-informed simulations, SYN-LUNGS provides a scalable approach for AI model development, particularly in rare disease representation and improving model reliability.
comment: 6 figures, 12 pages
☆ Scalable Decision-Making in Stochastic Environments through Learned Temporal Abstraction ICLR2025
Sequential decision-making in high-dimensional continuous action spaces, particularly in stochastic environments, faces significant computational challenges. We explore this challenge in the traditional offline RL setting, where an agent must learn how to make decisions based on data collected through a stochastic behavior policy. We present \textit{Latent Macro Action Planner} (L-MAP), which addresses this challenge by learning a set of temporally extended macro-actions through a state-conditional Vector Quantized Variational Autoencoder (VQ-VAE), effectively reducing action dimensionality. L-MAP employs a (separate) learned prior model that acts as a latent transition model and allows efficient sampling of plausible actions. During planning, our approach accounts for stochasticity in both the environment and the behavior policy by using Monte Carlo tree search (MCTS). In offline RL settings, including stochastic continuous control tasks, L-MAP efficiently searches over discrete latent actions to yield high expected returns. Empirical results demonstrate that L-MAP maintains low decision latency despite increased action dimensionality. Notably, across tasks ranging from continuous control with inherently stochastic dynamics to high-dimensional robotic hand manipulation, L-MAP significantly outperforms existing model-based methods and performs on-par with strong model-free actor-critic baselines, highlighting the effectiveness of the proposed approach in planning in complex and stochastic environments with high-dimensional action spaces.
comment: Accepted by ICLR2025. Code would be available at \href{https://github.com/BaitingLuo/L-MAP.git}{this https URL}
☆ HQColon: A Hybrid Interactive Machine Learning Pipeline for High Quality Colon Labeling and Segmentation
High-resolution colon segmentation is crucial for clinical and research applications, such as digital twins and personalized medicine. However, the leading open-source abdominal segmentation tool, TotalSegmentator, struggles with accuracy for the colon, which has a complex and variable shape, requiring time-intensive labeling. Here, we present the first fully automatic high-resolution colon segmentation method. To develop it, we first created a high resolution colon dataset using a pipeline that combines region growing with interactive machine learning to efficiently and accurately label the colon on CT colonography (CTC) images. Based on the generated dataset consisting of 435 labeled CTC images we trained an nnU-Net model for fully automatic colon segmentation. Our fully automatic model achieved an average symmetric surface distance of 0.2 mm (vs. 4.0 mm from TotalSegmentator) and a 95th percentile Hausdorff distance of 1.0 mm (vs. 18 mm from TotalSegmentator). Our segmentation accuracy substantially surpasses TotalSegmentator. We share our trained model and pipeline code, providing the first and only open-source tool for high-resolution colon segmentation. Additionally, we created a large-scale dataset of publicly available high-resolution colon labels.
☆ Reducing Reward Dependence in RL Through Adaptive Confidence Discounting
In human-in-the-loop reinforcement learning or environments where calculating a reward is expensive, the costly rewards can make learning efficiency challenging to achieve. The cost of obtaining feedback from humans or calculating expensive rewards means algorithms receiving feedback at every step of long training sessions may be infeasible, which may limit agents' abilities to efficiently improve performance. Our aim is to reduce the reliance of learning agents on humans or expensive rewards, improving the efficiency of learning while maintaining the quality of the learned policy. We offer a novel reinforcement learning algorithm that requests a reward only when its knowledge of the value of actions in an environment state is low. Our approach uses a reward function model as a proxy for human-delivered or expensive rewards when confidence is high, and asks for those explicit rewards only when there is low confidence in the model's predicted rewards and/or action selection. By reducing dependence on the expensive-to-obtain rewards, we are able to learn efficiently in settings where the logistics or expense of obtaining rewards may otherwise prohibit it. In our experiments our approach obtains comparable performance to a baseline in terms of return and number of episodes required to learn, but achieves that performance with as few as 20% of the rewards.
☆ QFAL: Quantum Federated Adversarial Learning
Quantum federated learning (QFL) merges the privacy advantages of federated systems with the computational potential of quantum neural networks (QNNs), yet its vulnerability to adversarial attacks remains poorly understood. This work pioneers the integration of adversarial training into QFL, proposing a robust framework, quantum federated adversarial learning (QFAL), where clients collaboratively defend against perturbations by combining local adversarial example generation with federated averaging (FedAvg). We systematically evaluate the interplay between three critical factors: client count (5, 10, 15), adversarial training coverage (0-100%), and adversarial attack perturbation strength (epsilon = 0.01-0.5), using the MNIST dataset. Our experimental results show that while fewer clients often yield higher clean-data accuracy, larger federations can more effectively balance accuracy and robustness when partially adversarially trained. Notably, even limited adversarial coverage (e.g., 20%-50%) can significantly improve resilience to moderate perturbations, though at the cost of reduced baseline performance. Conversely, full adversarial training (100%) may regain high clean accuracy but is vulnerable under stronger attacks. These findings underscore an inherent trade-off between robust and standard objectives, which is further complicated by quantum-specific factors. We conclude that a carefully chosen combination of client count and adversarial coverage is critical for mitigating adversarial vulnerabilities in QFL. Moreover, we highlight opportunities for future research, including adaptive adversarial training schedules, more diverse quantum encoding schemes, and personalized defense strategies to further enhance the robustness-accuracy trade-off in real-world quantum federated environments.
comment: 10 pages
☆ Autonomous Curriculum Design via Relative Entropy Based Task Modifications
Curriculum learning is a training method in which an agent is first trained on a curriculum of relatively simple tasks related to a target task in an effort to shorten the time required to train on the target task. Autonomous curriculum design involves the design of such curriculum with no reliance on human knowledge and/or expertise. Finding an efficient and effective way of autonomously designing curricula remains an open problem. We propose a novel approach for automatically designing curricula by leveraging the learner's uncertainty to select curricula tasks. Our approach measures the uncertainty in the learner's policy using relative entropy, and guides the agent to states of high uncertainty to facilitate learning. Our algorithm supports the generation of autonomous curricula in a self-assessed manner by leveraging the learner's past and current policies but it also allows the use of teacher guided design in an instructive setting. We provide theoretical guarantees for the convergence of our algorithm using two time-scale optimization processes. Results show that our algorithm outperforms randomly generated curriculum, and learning directly on the target task as well as the curriculum-learning criteria existing in literature. We also present two additional heuristic distance measures that could be combined with our relative-entropy approach for further performance improvements.
☆ Parallel-Learning of Invariant and Tempo-variant Attributes of Single-Lead Cardiac Signals: PLITA AAAI
Wearable sensing devices, such as Holter monitors, will play a crucial role in the future of digital health. Unsupervised learning frameworks such as Self-Supervised Learning (SSL) are essential to map these single-lead electrocardiogram (ECG) signals with their anticipated clinical outcomes. These signals are characterized by a tempo-variant component whose patterns evolve through the recording and an invariant component with patterns that remain unchanged. However, existing SSL methods only drive the model to encode the invariant attributes, leading the model to neglect tempo-variant information which reflects subject-state changes through time. In this paper, we present Parallel-Learning of Invariant and Tempo-variant Attributes (PLITA), a novel SSL method designed for capturing both invariant and tempo-variant ECG attributes. The latter are captured by mandating closer representations in space for closer inputs on time. We evaluate both the capability of the method to learn the attributes of these two distinct kinds, as well as PLITA's performance compared to existing SSL methods for ECG analysis. PLITA performs significantly better in the set-ups where tempo-variant attributes play a major role.
comment: Published in The 39th Annual AAAI Conference on Artificial Intelligence. Main Track
☆ Same accuracy, twice as fast: continuous training surpasses retraining from scratch
Continual learning aims to enable models to adapt to new datasets without losing performance on previously learned data, often assuming that prior data is no longer available. However, in many practical scenarios, both old and new data are accessible. In such cases, good performance on both datasets is typically achieved by abandoning the model trained on the previous data and re-training a new model from scratch on both datasets. This training from scratch is computationally expensive. In contrast, methods that leverage the previously trained model and old data are worthy of investigation, as they could significantly reduce computational costs. Our evaluation framework quantifies the computational savings of such methods while maintaining or exceeding the performance of training from scratch. We identify key optimization aspects -- initialization, regularization, data selection, and hyper-parameters -- that can each contribute to reducing computational costs. For each aspect, we propose effective first-step methods that already yield substantial computational savings. By combining these methods, we achieve up to 2.7x reductions in computation time across various computer vision tasks, highlighting the potential for further advancements in this area.
☆ Variational Bayesian Pseudo-Coreset ICLR2025
The success of deep learning requires large datasets and extensive training, which can create significant computational challenges. To address these challenges, pseudo-coresets, small learnable datasets that mimic the entire data, have been proposed. Bayesian Neural Networks, which offer predictive uncertainty and probabilistic interpretation for deep neural networks, also face issues with large-scale datasets due to their high-dimensional parameter space. Prior works on Bayesian Pseudo-Coresets (BPC) attempt to reduce the computational load for computing weight posterior distribution by a small number of pseudo-coresets but suffer from memory inefficiency during BPC training and sub-optimal results. To overcome these limitations, we propose Variational Bayesian Pseudo-Coreset (VBPC), a novel approach that utilizes variational inference to efficiently approximate the posterior distribution, reducing memory usage and computational costs while improving performance across benchmark datasets.
comment: The Thirteenth International Conference on Learning Representations (ICLR2025)
☆ Multimodal Dreaming: A Global Workspace Approach to World Model-Based Reinforcement Learning
Humans leverage rich internal models of the world to reason about the future, imagine counterfactuals, and adapt flexibly to new situations. In Reinforcement Learning (RL), world models aim to capture how the environment evolves in response to the agent's actions, facilitating planning and generalization. However, typical world models directly operate on the environment variables (e.g. pixels, physical attributes), which can make their training slow and cumbersome; instead, it may be advantageous to rely on high-level latent dimensions that capture relevant multimodal variables. Global Workspace (GW) Theory offers a cognitive framework for multimodal integration and information broadcasting in the brain, and recent studies have begun to introduce efficient deep learning implementations of GW. Here, we evaluate the capabilities of an RL system combining GW with a world model. We compare our GW-Dreamer with various versions of the standard PPO and the original Dreamer algorithms. We show that performing the dreaming process (i.e., mental simulation) inside the GW latent space allows for training with fewer environment steps. As an additional emergent property, the resulting model (but not its comparison baselines) displays strong robustness to the absence of one of its observation modalities (images or simulation attributes). We conclude that the combination of GW with World Models holds great potential for improving decision-making in RL agents.
comment: Under review in a conference
☆ Predicting clinical outcomes from patient care pathways represented with temporal knowledge graphs
Background: With the increasing availability of healthcare data, predictive modeling finds many applications in the biomedical domain, such as the evaluation of the level of risk for various conditions, which in turn can guide clinical decision making. However, it is unclear how knowledge graph data representations and their embedding, which are competitive in some settings, could be of interest in biomedical predictive modeling. Method: We simulated synthetic but realistic data of patients with intracranial aneurysm and experimented on the task of predicting their clinical outcome. We compared the performance of various classification approaches on tabular data versus a graph-based representation of the same data. Next, we investigated how the adopted schema for representing first individual data and second temporal data impacts predictive performances. Results: Our study illustrates that in our case, a graph representation and Graph Convolutional Network (GCN) embeddings reach the best performance for a predictive task from observational data. We emphasize the importance of the adopted schema and of the consideration of literal values in the representation of individual data. Our study also moderates the relative impact of various time encoding on GCN performance.
☆ Microscopic Propagator Imaging (MPI) with Diffusion MRI
We propose Microscopic Propagator Imaging (MPI) as a novel method to retrieve the indices of the microscopic propagator which is the probability density function of water displacements due to diffusion within the nervous tissue microstructures. Unlike the Ensemble Average Propagator indices or the Diffusion Tensor Imaging metrics, MPI indices are independent from the mesoscopic organization of the tissue such as the presence of multiple axonal bundle directions and orientation dispersion. As a consequence, MPI indices are more specific to the volumes, sizes, and types of microstructures, like axons and cells, that are present in the tissue. Thus, changes in MPI indices can be more directly linked to alterations in the presence and integrity of microstructures themselves. The methodology behind MPI is rooted on zonal modeling of spherical harmonics, signal simulation, and machine learning regression, and is demonstrated on both synthetic and Human Diffusion MRI data.
☆ CuPID: Leveraging Masked Single-Lead ECG Modelling for Enhancing the Representations
Wearable sensing devices, such as Electrocardiogram (ECG) heart-rate monitors, will play a crucial role in the future of digital health. This continuous monitoring leads to massive unlabeled data, incentivizing the development of unsupervised learning frameworks. While Masked Data Modelling (MDM) techniques have enjoyed wide use, their direct application to single-lead ECG data is suboptimal due to the decoder's difficulty handling irregular heartbeat intervals when no contextual information is provided. In this paper, we present Cueing the Predictor Increments the Detailing (CuPID), a novel MDM method tailored to single-lead ECGs. CuPID enhances existing MDM techniques by cueing spectrogram-derived context to the decoder, thus incentivizing the encoder to produce more detailed representations. This has a significant impact on the encoder's performance across a wide range of different configurations, leading CuPID to outperform state-of-the-art methods in a variety of downstream tasks.
comment: Paper under review
☆ Causality Is Key to Understand and Balance Multiple Goals in Trustworthy ML and Foundation Models
Ensuring trustworthiness in machine learning (ML) systems is crucial as they become increasingly embedded in high-stakes domains. This paper advocates for the integration of causal methods into machine learning to navigate the trade-offs among key principles of trustworthy ML, including fairness, privacy, robustness, accuracy, and explainability. While these objectives should ideally be satisfied simultaneously, they are often addressed in isolation, leading to conflicts and suboptimal solutions. Drawing on existing applications of causality in ML that successfully align goals such as fairness and accuracy or privacy and robustness, this paper argues that a causal approach is essential for balancing multiple competing objectives in both trustworthy ML and foundation models. Beyond highlighting these trade-offs, we examine how causality can be practically integrated into ML and foundation models, offering solutions to enhance their reliability and interpretability. Finally, we discuss the challenges, limitations, and opportunities in adopting causal frameworks, paving the way for more accountable and ethically sound AI systems.
☆ The two filter formula reconsidered: Smoothing in partially observed Gauss--Markov models without information parametrization
In this article, the two filter formula is re-examined in the setting of partially observed Gauss--Markov models. It is traditionally formulated as a filter running backward in time, where the Gaussian density is parametrized in ``information form''. However, the quantity in the backward recursion is strictly speaking not a distribution, but a likelihood. Taking this observation seriously, a recursion over log-quadratic likelihoods is formulated instead, which obviates the need for ``information'' parametrization. In particular, it greatly simplifies the square-root formulation of the algorithm. Furthermore, formulae are given for producing the forward Markov representation of the a posteriori distribution over paths from the proposed likelihood representation.
comment: 14 pages, 2 figures
☆ Rare event modeling with self-regularized normalizing flows: what can we learn from a single failure? ICLR 2025
Increased deployment of autonomous systems in fields like transportation and robotics have seen a corresponding increase in safety-critical failures. These failures can be difficult to model and debug due to the relative lack of data: compared to tens of thousands of examples from normal operations, we may have only seconds of data leading up to the failure. This scarcity makes it challenging to train generative models of rare failure events, as existing methods risk either overfitting to noise in the limited failure dataset or underfitting due to an overly strong prior. We address this challenge with CalNF, or calibrated normalizing flows, a self-regularized framework for posterior learning from limited data. CalNF achieves state-of-the-art performance on data-limited failure modeling and inverse problems and enables a first-of-a-kind case study into the root causes of the 2022 Southwest Airlines scheduling crisis.
comment: Published at ICLR 2025
☆ Are foundation models useful feature extractors for electroencephalography analysis?
The success of foundation models in natural language processing and computer vision has motivated similar approaches for general time series analysis. While these models are effective for a variety of tasks, their applicability in medical domains with limited data remains largely unexplored. To address this, we investigate the effectiveness of foundation models in medical time series analysis involving electroencephalography (EEG). Through extensive experiments on tasks such as age prediction, seizure detection, and the classification of clinically relevant EEG events, we compare their diagnostic accuracy with that of specialised EEG models. Our analysis shows that foundation models extract meaningful EEG features, outperform specialised models even without domain adaptation, and localise task-specific biomarkers. Moreover, we demonstrate that diagnostic accuracy is substantially influenced by architectural choices such as context length. Overall, our study reveals that foundation models with general time series understanding eliminate the dependency on large domain-specific datasets, making them valuable tools for clinical practice.
☆ Spatial Reasoning with Denoising Models
We introduce Spatial Reasoning Models (SRMs), a framework to perform reasoning over sets of continuous variables via denoising generative models. SRMs infer continuous representations on a set of unobserved variables, given observations on observed variables. Current generative models on spatial domains, such as diffusion and flow matching models, often collapse to hallucination in case of complex distributions. To measure this, we introduce a set of benchmark tasks that test the quality of complex reasoning in generative models and can quantify hallucination. The SRM framework allows to report key findings about importance of sequentialization in generation, the associated order, as well as the sampling strategies during training. It demonstrates, for the first time, that order of generation can successfully be predicted by the denoising network itself. Using these findings, we can increase the accuracy of specific reasoning tasks from <1% to >50%.
comment: Project website: https://geometric-rl.mpi-inf.mpg.de/srm/
☆ Efficient Transformer-based Decoder for Varshamov-Tenengolts Codes
In recent years, the rise of DNA data storage technology has brought significant attention to the challenge of correcting insertion, deletion, and substitution (IDS) errors. Among various coding methods for IDS correction, Varshamov-Tenengolts (VT) codes, primarily designed for single-error correction, have emerged as a central research focus. While existing decoding methods achieve high accuracy in correcting a single error, they often fail to correct multiple IDS errors. In this work, we observe that VT codes retain some capability for addressing multiple errors by introducing a transformer-based VT decoder (TVTD) along with symbol- and statistic-based codeword embedding. Experimental results demonstrate that the proposed TVTD achieves perfect correction of a single error. Furthermore, when decoding multiple errors across various codeword lengths, the bit error rate and frame error rate are significantly improved compared to existing hard decision and soft-in soft-out algorithms. Additionally, through model architecture optimization, the proposed method reduces time consumption by an order of magnitude compared to other soft decoders.
comment: 9 pages, 2 figures, 9 tables
☆ FC-Attack: Jailbreaking Large Vision-Language Models via Auto-Generated Flowcharts
Large Vision-Language Models (LVLMs) have become powerful and widely adopted in some practical applications. However, recent research has revealed their vulnerability to multimodal jailbreak attacks, whereby the model can be induced to generate harmful content, leading to safety risks. Although most LVLMs have undergone safety alignment, recent research shows that the visual modality is still vulnerable to jailbreak attacks. In our work, we discover that by using flowcharts with partially harmful information, LVLMs can be induced to provide additional harmful details. Based on this, we propose a jailbreak attack method based on auto-generated flowcharts, FC-Attack. Specifically, FC-Attack first fine-tunes a pre-trained LLM to create a step-description generator based on benign datasets. The generator is then used to produce step descriptions corresponding to a harmful query, which are transformed into flowcharts in 3 different shapes (vertical, horizontal, and S-shaped) as visual prompts. These flowcharts are then combined with a benign textual prompt to execute a jailbreak attack on LVLMs. Our evaluations using the Advbench dataset show that FC-Attack achieves over 90% attack success rates on Gemini-1.5, Llaval-Next, Qwen2-VL, and InternVL-2.5 models, outperforming existing LVLM jailbreak methods. Additionally, we investigate factors affecting the attack performance, including the number of steps and the font styles in the flowcharts. Our evaluation shows that FC-Attack can improve the jailbreak performance from 4% to 28% in Claude-3.5 by changing the font style. To mitigate the attack, we explore several defenses and find that AdaShield can largely reduce the jailbreak performance but with the cost of utility drop.
comment: 13 pages, 6 figures
☆ Quantum-aware Transformer model for state classification
Entanglement is a fundamental feature of quantum mechanics, playing a crucial role in quantum information processing. However, classifying entangled states, particularly in the mixed-state regime, remains a challenging problem, especially as system dimensions increase. In this work, we focus on bipartite quantum states and present a data-driven approach to entanglement classification using transformer-based neural networks. Our dataset consists of a diverse set of bipartite states, including pure separable states, Werner entangled states, general entangled states, and maximally entangled states. We pretrain the transformer in an unsupervised fashion by masking elements of vectorized Hermitian matrix representations of quantum states, allowing the model to learn structural properties of quantum density matrices. This approach enables the model to generalize entanglement characteristics across different classes of states. Once trained, our method achieves near-perfect classification accuracy, effectively distinguishing between separable and entangled states. Compared to previous Machine Learning, our method successfully adapts transformers for quantum state analysis, demonstrating their ability to systematically identify entanglement in bipartite systems. These results highlight the potential of modern machine learning techniques in automating entanglement detection and classification, bridging the gap between quantum information theory and artificial intelligence.
comment: 13 pages, 1 figure
Detection of anomalies in cow activity using wavelet transform based features
In Precision Livestock Farming, detecting deviations from optimal or baseline values - i.e. anomalies in time series - is essential to allow undertaking corrective actions rapidly. Here we aim at detecting anomalies in 24h time series of cow activity, with a view to detect cases of disease or oestrus. Deviations must be distinguished from noise which can be very high in case of biological data. It is also important to detect the anomaly early, e.g. before a farmer would notice it visually. Here, we investigate the benefit of using wavelet transforms to denoise data and we assess the performance of an anomaly detection algorithm considering the timing of the detection. We developed features based on the comparisons between the wavelet transforms of the mean of the time series and the wavelet transforms of individual time series instances. We hypothesized that these features contribute to the detection of anomalies in periodic time series using a feature-based algorithm. We tested this hypothesis with two datasets representing cow activity, which typically follows a daily pattern but can deviate due to specific physiological or pathological conditions. We applied features derived from wavelet transform as well as statistical features in an Isolation Forest algorithm. We measured the distance of detection between the days annotated abnormal by animal caretakers days and the days predicted abnormal by the algorithm. The results show that wavelet-based features are among the features most contributing to anomaly detection. They also show that detections are close to the annotated days, and often precede it. In conclusion, using wavelet transforms on time series of cow activity data helps to detect anomalies related to specific cow states. The detection is often obtained on days that precede the day annotated by caretakers, which offer possibility to take corrective actions at an early stage.
comment: 17 pages, 8 figures, 4 tables, 1 algorithm
☆ Fast Adversarial Training against Sparse Attacks Requires Loss Smoothing
This paper studies fast adversarial training against sparse adversarial perturbations bounded by $l_0$ norm. We demonstrate the challenges of employing $1$-step attacks on $l_0$ bounded perturbations for fast adversarial training, including degraded performance and the occurrence of catastrophic overfitting (CO). We highlight that CO in $l_0$ adversarial training is caused by sub-optimal perturbation locations of $1$-step attack. Theoretical and empirical analyses reveal that the loss landscape of $l_0$ adversarial training is more craggy compared to its $l_\infty$, $l_2$ and $l_1$ counterparts. Moreover, we corroborate that the craggy loss landscape can aggravate CO. To address these issues, we propose Fast-LS-$l_0$ that incorporates soft labels and the trade-off loss function to smooth the adversarial loss landscape. Extensive experiments demonstrate our method can overcome the challenge of catastrophic overfitting, achieve state-of-the-art performance, and narrow down the performance gap between $1$-step and multi-step adversarial training against sparse attacks.
☆ Reward Learning from Multiple Feedback Types ICLR 2025
Learning rewards from preference feedback has become an important tool in the alignment of agentic models. Preference-based feedback, often implemented as a binary comparison between multiple completions, is an established method to acquire large-scale human feedback. However, human feedback in other contexts is often much more diverse. Such diverse feedback can better support the goals of a human annotator, and the simultaneous use of multiple sources might be mutually informative for the learning process or carry type-dependent biases for the reward learning process. Despite these potential benefits, learning from different feedback types has yet to be explored extensively. In this paper, we bridge this gap by enabling experimentation and evaluating multi-type feedback in a broad set of environments. We present a process to generate high-quality simulated feedback of six different types. Then, we implement reward models and downstream RL training for all six feedback types. Based on the simulated feedback, we investigate the use of types of feedback across ten RL environments and compare them to pure preference-based baselines. We show empirically that diverse types of feedback can be utilized and lead to strong reward modeling performance. This work is the first strong indicator of the potential of multi-type feedback for RLHF.
comment: Published as a conference paper at ICLR 2025
☆ S4ConvD: Adaptive Scaling and Frequency Adjustment for Energy-Efficient Sensor Networks in Smart Buildings
Predicting energy consumption in smart buildings is challenging due to dependencies in sensor data and the variability of environmental conditions. We introduce S4ConvD, a novel convolutional variant of Deep State Space Models (Deep-SSMs), that minimizes reliance on extensive preprocessing steps. S4ConvD is designed to optimize runtime in resource-constrained environments. By implementing adaptive scaling and frequency adjustments, this model shows to capture complex temporal patterns in building energy dynamics. Experiments on the ASHRAE Great Energy Predictor III dataset reveal that S4ConvD outperforms current benchmarks. Additionally, S4ConvD benefits from significant improvements in GPU runtime through the use of Block Tiling optimization techniques. Thus, S4ConvD has the potential for practical deployment in real-time energy modeling. Furthermore, the complete codebase and dataset are accessible on GitHub, fostering open-source contributions and facilitating further research. Our method also promotes resource-efficient model execution, enhancing both energy forecasting and the potential integration of renewable energy sources into smart grid systems.
comment: Submitted to TOSN Journal
☆ Synthesizing Tabular Data Using Selectivity Enhanced Generative Adversarial Networks
As E-commerce platforms face surging transactions during major shopping events like Black Friday, stress testing with synthesized data is crucial for resource planning. Most recent studies use Generative Adversarial Networks (GANs) to generate tabular data while ensuring privacy and machine learning utility. However, these methods overlook the computational demands of processing GAN-generated data, making them unsuitable for E-commerce stress testing. This thesis introduces a novel GAN-based approach incorporating query selectivity constraints, a key factor in database transaction processing. We integrate a pre-trained deep neural network to maintain selectivity consistency between real and synthetic data. Our method, tested on five real-world datasets, outperforms three state-of-the-art GANs and a VAE model, improving selectivity estimation accuracy by up to 20pct and machine learning utility by up to 6 pct.
comment: This thesis submitted to the University of Melbourne for partial fulfillment of the degree of Master of Data Science
☆ A data augmentation strategy for deep neural networks with application to epidemic modelling
In this work, we integrate the predictive capabilities of compartmental disease dynamics models with machine learning ability to analyze complex, high-dimensional data and uncover patterns that conventional models may overlook. Specifically, we present a proof of concept demonstrating the application of data-driven methods and deep neural networks to a recently introduced SIR-type model with social features, including a saturated incidence rate, to improve epidemic prediction and forecasting. Our results show that a robust data augmentation strategy trough suitable data-driven models can improve the reliability of Feed-Forward Neural Networks (FNNs) and Nonlinear Autoregressive Networks (NARs), making them viable alternatives to Physics-Informed Neural Networks (PINNs). This approach enhances the ability to handle nonlinear dynamics and offers scalable, data-driven solutions for epidemic forecasting, prioritizing predictive accuracy over the constraints of physics-based models. Numerical simulations of the post-lockdown phase of the COVID-19 epidemic in Italy and Spain validate our methodology.
☆ Sixth-Sense: Self-Supervised Learning of Spatial Awareness of Humans from a Planar Lidar
Localizing humans is a key prerequisite for any service robot operating in proximity to people. In these scenarios, robots rely on a multitude of state-of-the-art detectors usually designed to operate with RGB-D cameras or expensive 3D LiDARs. However, most commercially available service robots are equipped with cameras with a narrow field of view, making them blind when a user is approaching from other directions, or inexpensive 1D LiDARs whose readings are difficult to interpret. To address these limitations, we propose a self-supervised approach to detect humans and estimate their 2D pose from 1D LiDAR data, using detections from an RGB-D camera as a supervision source. Our approach aims to provide service robots with spatial awareness of nearby humans. After training on 70 minutes of data autonomously collected in two environments, our model is capable of detecting humans omnidirectionally from 1D LiDAR data in a novel environment, with 71% precision and 80% recall, while retaining an average absolute error of 13 cm in distance and 44{\deg} in orientation.
☆ AutoQML: A Framework for Automated Quantum Machine Learning
Automated Machine Learning (AutoML) has significantly advanced the efficiency of ML-focused software development by automating hyperparameter optimization and pipeline construction, reducing the need for manual intervention. Quantum Machine Learning (QML) offers the potential to surpass classical machine learning (ML) capabilities by utilizing quantum computing. However, the complexity of QML presents substantial entry barriers. We introduce \emph{AutoQML}, a novel framework that adapts the AutoML approach to QML, providing a modular and unified programming interface to facilitate the development of QML pipelines. AutoQML leverages the QML library sQUlearn to support a variety of QML algorithms. The framework is capable of constructing end-to-end pipelines for supervised learning tasks, ensuring accessibility and efficacy. We evaluate AutoQML across four industrial use cases, demonstrating its ability to generate high-performing QML pipelines that are competitive with both classical ML models and manually crafted quantum solutions.
comment: 9 pages, 4 figures
☆ When Unsupervised Domain Adaptation meets One-class Anomaly Detection: Addressing the Two-fold Unsupervised Curse by Leveraging Anomaly Scarcity
This paper introduces the first fully unsupervised domain adaptation (UDA) framework for unsupervised anomaly detection (UAD). The performance of UAD techniques degrades significantly in the presence of a domain shift, difficult to avoid in a real-world setting. While UDA has contributed to solving this issue in binary and multi-class classification, such a strategy is ill-posed in UAD. This might be explained by the unsupervised nature of the two tasks, namely, domain adaptation and anomaly detection. Herein, we first formulate this problem that we call the two-fold unsupervised curse. Then, we propose a pioneering solution to this curse, considered intractable so far, by assuming that anomalies are rare. Specifically, we leverage clustering techniques to identify a dominant cluster in the target feature space. Posed as the normal cluster, the latter is aligned with the source normal features. Concretely, given a one-class source set and an unlabeled target set composed mostly of normal data and some anomalies, we fit the source features within a hypersphere while jointly aligning them with the features of the dominant cluster from the target set. The paper provides extensive experiments and analysis on common adaptation benchmarks for anomaly detection, demonstrating the relevance of both the newly introduced paradigm and the proposed approach. The code will be made publicly available.
☆ Position: Solve Layerwise Linear Models First to Understand Neural Dynamical Phenomena (Neural Collapse, Emergence, Lazy/Rich Regime, and Grokking)
In physics, complex systems are often simplified into minimal, solvable models that retain only the core principles. In machine learning, layerwise linear models (e.g., linear neural networks) act as simplified representations of neural network dynamics. These models follow the dynamical feedback principle, which describes how layers mutually govern and amplify each other's evolution. This principle extends beyond the simplified models, successfully explaining a wide range of dynamical phenomena in deep neural networks, including neural collapse, emergence, lazy and rich regimes, and grokking. In this position paper, we call for the use of layerwise linear models retaining the core principles of neural dynamical phenomena to accelerate the science of deep learning.
☆ Improving Open-world Continual Learning under the Constraints of Scarce Labeled Data
Open-world continual learning (OWCL) adapts to sequential tasks with open samples, learning knowledge incrementally while preventing forgetting. However, existing OWCL still requires a large amount of labeled data for training, which is often impractical in real-world applications. Given that new categories/entities typically come with limited annotations and are in small quantities, a more realistic situation is OWCL with scarce labeled data, i.e., few-shot training samples. Hence, this paper investigates the problem of open-world few-shot continual learning (OFCL), challenging in (i) learning unbounded tasks without forgetting previous knowledge and avoiding overfitting, (ii) constructing compact decision boundaries for open detection with limited labeled data, and (iii) transferring knowledge about knowns and unknowns and even update the unknowns to knowns once the labels of open samples are learned. In response, we propose a novel OFCL framework that integrates three key components: (1) an instance-wise token augmentation (ITA) that represents and enriches sample representations with additional knowledge, (2) a margin-based open boundary (MOB) that supports open detection with new tasks emerge over time, and (3) an adaptive knowledge space (AKS) that endows unknowns with knowledge for the updating from unknowns to knowns. Finally, extensive experiments show the proposed OFCL framework outperforms all baselines remarkably with practical importance and reproducibility. The source code is released at https://github.com/liyj1201/OFCL.
☆ TeleRAG: Efficient Retrieval-Augmented Generation Inference with Lookahead Retrieval
Retrieval-augmented generation (RAG) extends large language models (LLMs) with external data sources to enhance factual correctness and domain coverage. Modern RAG pipelines rely on large datastores, leading to system challenges in latency-sensitive deployments, especially when limited GPU memory is available. To address these challenges, we propose TeleRAG, an efficient inference system that reduces RAG latency with minimal GPU memory requirements. The core innovation of TeleRAG is lookahead retrieval, a prefetching mechanism that anticipates required data and transfers it from CPU to GPU in parallel with LLM generation. By leveraging the modularity of RAG pipelines, the inverted file index (IVF) search algorithm and similarities between queries, TeleRAG optimally overlaps data movement and computation. Experimental results show that TeleRAG reduces end-to-end RAG inference latency by up to 1.72x on average compared to state-of-the-art systems, enabling faster, more memory-efficient deployments of advanced RAG applications.
☆ Post-Hoc Uncertainty Quantification in Pre-Trained Neural Networks via Activation-Level Gaussian Processes
Uncertainty quantification in neural networks through methods such as Dropout, Bayesian neural networks and Laplace approximations is either prone to underfitting or computationally demanding, rendering these approaches impractical for large-scale datasets. In this work, we address these shortcomings by shifting the focus from uncertainty in the weight space to uncertainty at the activation level, via Gaussian processes. More specifically, we introduce the Gaussian Process Activation function (GAPA) to capture neuron-level uncertainties. Our approach operates in a post-hoc manner, preserving the original mean predictions of the pre-trained neural network and thereby avoiding the underfitting issues commonly encountered in previous methods. We propose two methods. The first, GAPA-Free, employs empirical kernel learning from the training data for the hyperparameters and is highly efficient during training. The second, GAPA-Variational, learns the hyperparameters via gradient descent on the kernels, thus affording greater flexibility. Empirical results demonstrate that GAPA-Variational outperforms the Laplace approximation on most datasets in at least one of the uncertainty quantification metrics.
comment: 10 pages, 8 figures, 7th Symposium on Advances in Approximate Bayesian Inference
☆ Retrieval Augmented Generation for Topic Modeling in Organizational Research: An Introduction with Empirical Demonstration
Analyzing textual data is the cornerstone of qualitative research. While traditional methods such as grounded theory and content analysis are widely used, they are labor-intensive and time-consuming. Topic modeling offers an automated complement. Yet, existing approaches, including LLM-based topic modeling, still struggle with issues such as high data preprocessing requirements, interpretability, and reliability. This paper introduces Agentic Retrieval-Augmented Generation (Agentic RAG) as a method for topic modeling with LLMs. It integrates three key components: (1) retrieval, enabling automatized access to external data beyond an LLM's pre-trained knowledge; (2) generation, leveraging LLM capabilities for text synthesis; and (3) agent-driven learning, iteratively refining retrieval and query formulation processes. To empirically validate Agentic RAG for topic modeling, we reanalyze a Twitter/X dataset, previously examined by Mu et al. (2024a). Our findings demonstrate that the approach is more efficient, interpretable and at the same time achieves higher reliability and validity in comparison to the standard machine learning approach but also in comparison to LLM prompting for topic modeling. These results highlight Agentic RAG's ability to generate semantically relevant and reproducible topics, positioning it as a robust, scalable, and transparent alternative for AI-driven qualitative research in leadership, managerial, and organizational research.
comment: 30 pages, 4 figures
☆ Reward Dimension Reduction for Scalable Multi-Objective Reinforcement Learning ICLR 2025
In this paper, we introduce a simple yet effective reward dimension reduction method to tackle the scalability challenges of multi-objective reinforcement learning algorithms. While most existing approaches focus on optimizing two to four objectives, their abilities to scale to environments with more objectives remain uncertain. Our method uses a dimension reduction approach to enhance learning efficiency and policy performance in multi-objective settings. While most traditional dimension reduction methods are designed for static datasets, our approach is tailored for online learning and preserves Pareto-optimality after transformation. We propose a new training and evaluation framework for reward dimension reduction in multi-objective reinforcement learning and demonstrate the superiority of our method in environments including one with sixteen objectives, significantly outperforming existing online dimension reduction methods.
comment: Accepted to ICLR 2025
☆ Robust and Efficient Writer-Independent IMU-Based Handwriting Recognization
Online handwriting recognition (HWR) using data from inertial measurement units (IMUs) remains challenging due to variations in writing styles and the limited availability of high-quality annotated datasets. Traditional models often struggle to recognize handwriting from unseen writers, making writer-independent (WI) recognition a crucial but difficult problem. This paper presents an HWR model with an encoder-decoder structure for IMU data, featuring a CNN-based encoder for feature extraction and a BiLSTM decoder for sequence modeling, which supports inputs of varying lengths. Our approach demonstrates strong robustness and data efficiency, outperforming existing methods on WI datasets, including the WI split of the OnHW dataset and our own dataset. Extensive evaluations show that our model maintains high accuracy across different age groups and writing conditions while effectively learning from limited data. Through comprehensive ablation studies, we analyze key design choices, achieving a balance between accuracy and efficiency. These findings contribute to the development of more adaptable and scalable HWR systems for real-world applications.
☆ Efficient Jailbreaking of Large Models by Freeze Training: Lower Layers Exhibit Greater Sensitivity to Harmful Content
With the widespread application of Large Language Models across various domains, their security issues have increasingly garnered significant attention from both academic and industrial communities. This study conducts sampling and normalization of the parameters of the LLM to generate visual representations and heatmaps of parameter distributions, revealing notable discrepancies in parameter distributions among certain layers within the hidden layers. Further analysis involves calculating statistical metrics for each layer, followed by the computation of a Comprehensive Sensitivity Score based on these metrics, which identifies the lower layers as being particularly sensitive to the generation of harmful content. Based on this finding, we employ a Freeze training strategy, selectively performing Supervised Fine-Tuning only on the lower layers. Experimental results demonstrate that this method significantly reduces training duration and GPU memory consumption while maintaining a high jailbreak success rate and a high harm score, outperforming the results achieved by applying the LoRA method for SFT across all layers. Additionally, the method has been successfully extended to other open-source large models, validating its generality and effectiveness across different model architectures. Furthermore, we compare our method with ohter jailbreak method, demonstrating the superior performance of our approach. By innovatively proposing a method to statistically analyze and compare large model parameters layer by layer, this study provides new insights into the interpretability of large models. These discoveries emphasize the necessity of continuous research and the implementation of adaptive security measures in the rapidly evolving field of LLMs to prevent potential jailbreak attack risks, thereby promoting the development of more robust and secure LLMs.
☆ Concealed Adversarial attacks on neural networks for sequential data
The emergence of deep learning led to the broad usage of neural networks in the time series domain for various applications, including finance and medicine. While powerful, these models are prone to adversarial attacks: a benign targeted perturbation of input data leads to significant changes in a classifier's output. However, formally small attacks in the time series domain become easily detected by the human eye or a simple detector model. We develop a concealed adversarial attack for different time-series models: it provides more realistic perturbations, being hard to detect by a human or model discriminator. To achieve this goal, the proposed adversarial attack maximizes an aggregation of a classifier and a trained discriminator loss. To make the attack stronger, we also propose a training procedure for a discriminator that provides broader coverage of possible attacks. Extensive benchmarking on six UCR time series datasets across four diverse architectures - including recurrent, convolutional, state-space, and transformer-based models - demonstrates the superiority of our attack for a concealability-efficiency trade-off. Our findings highlight the growing challenge of designing robust time series models, emphasizing the need for improved defenses against realistic and effective attacks.
☆ Generative Uncertainty in Diffusion Models
Diffusion models have recently driven significant breakthroughs in generative modeling. While state-of-the-art models produce high-quality samples on average, individual samples can still be low quality. Detecting such samples without human inspection remains a challenging task. To address this, we propose a Bayesian framework for estimating generative uncertainty of synthetic samples. We outline how to make Bayesian inference practical for large, modern generative models and introduce a new semantic likelihood (evaluated in the latent space of a feature extractor) to address the challenges posed by high-dimensional sample spaces. Through our experiments, we demonstrate that the proposed generative uncertainty effectively identifies poor-quality samples and significantly outperforms existing uncertainty-based methods. Notably, our Bayesian framework can be applied post-hoc to any pretrained diffusion or flow matching model (via the Laplace approximation), and we propose simple yet effective techniques to minimize its computational overhead during sampling.
☆ Large Language Models Are Innate Crystal Structure Generators
Crystal structure generation is fundamental to materials discovery, enabling the prediction of novel materials with desired properties. While existing approaches leverage Large Language Models (LLMs) through extensive fine-tuning on materials databases, we show that pre-trained LLMs can inherently generate stable crystal structures without additional training. Our novel framework MatLLMSearch integrates pre-trained LLMs with evolutionary search algorithms, achieving a 78.38% metastable rate validated by machine learning interatomic potentials and 31.7% DFT-verified stability via quantum mechanical calculations, outperforming specialized models such as CrystalTextLLM. Beyond crystal structure generation, we further demonstrate that our framework can be readily adapted to diverse materials design tasks, including crystal structure prediction and multi-objective optimization of properties such as deformation energy and bulk modulus, all without fine-tuning. These results establish pre-trained LLMs as versatile and effective tools for materials discovery, opening up new venues for crystal structure generation with reduced computational overhead and broader accessibility.
comment: Preprint, 18 pages
☆ Amortized Conditional Independence Testing PAKDD 2025
Testing for the conditional independence structure in data is a fundamental and critical task in statistics and machine learning, which finds natural applications in causal discovery - a highly relevant problem to many scientific disciplines. Existing methods seek to design explicit test statistics that quantify the degree of conditional dependence, which is highly challenging yet cannot capture nor utilize prior knowledge in a data-driven manner. In this study, an entirely new approach is introduced, where we instead propose to amortize conditional independence testing and devise ACID - a novel transformer-based neural network architecture that learns to test for conditional independence. ACID can be trained on synthetic data in a supervised learning fashion, and the learned model can then be applied to any dataset of similar natures or adapted to new domains by fine-tuning with a negligible computational cost. Our extensive empirical evaluations on both synthetic and real data reveal that ACID consistently achieves state-of-the-art performance against existing baselines under multiple metrics, and is able to generalize robustly to unseen sample sizes, dimensionalities, as well as non-linearities with a remarkably low inference time.
comment: Accepted at PAKDD 2025
☆ Everything, Everywhere, All at Once: Is Mechanistic Interpretability Identifiable?
As AI systems are used in high-stakes applications, ensuring interpretability is crucial. Mechanistic Interpretability (MI) aims to reverse-engineer neural networks by extracting human-understandable algorithms to explain their behavior. This work examines a key question: for a given behavior, and under MI's criteria, does a unique explanation exist? Drawing on identifiability in statistics, where parameters are uniquely inferred under specific assumptions, we explore the identifiability of MI explanations. We identify two main MI strategies: (1) "where-then-what," which isolates a circuit replicating model behavior before interpreting it, and (2) "what-then-where," which starts with candidate algorithms and searches for neural activation subspaces implementing them, using causal alignment. We test both strategies on Boolean functions and small multi-layer perceptrons, fully enumerating candidate explanations. Our experiments reveal systematic non-identifiability: multiple circuits can replicate behavior, a circuit can have multiple interpretations, several algorithms can align with the network, and one algorithm can align with different subspaces. Is uniqueness necessary? A pragmatic approach may require only predictive and manipulability standards. If uniqueness is essential for understanding, stricter criteria may be needed. We also reference the inner interpretability framework, which validates explanations through multiple criteria. This work contributes to defining explanation standards in AI.
☆ A Fused Gromov-Wasserstein Approach to Subgraph Contrastive Learning
Self-supervised learning has become a key method for training deep learning models when labeled data is scarce or unavailable. While graph machine learning holds great promise across various domains, the design of effective pretext tasks for self-supervised graph representation learning remains challenging. Contrastive learning, a popular approach in graph self-supervised learning, leverages positive and negative pairs to compute a contrastive loss function. However, current graph contrastive learning methods often struggle to fully use structural patterns and node similarities. To address these issues, we present a new method called Fused Gromov Wasserstein Subgraph Contrastive Learning (FOSSIL). Our model integrates node-level and subgraph-level contrastive learning, seamlessly combining a standard node-level contrastive loss with the Fused Gromov-Wasserstein distance. This combination helps our method capture both node features and graph structure together. Importantly, our approach works well with both homophilic and heterophilic graphs and can dynamically create views for generating positive and negative pairs. Through extensive experiments on benchmark graph datasets, we show that FOSSIL outperforms or achieves competitive performance compared to current state-of-the-art methods.
☆ Hamiltonian Neural Networks approach to fuzzball geodesics
The recent increase in computational resources and data availability has led to a significant rise in the use of Machine Learning (ML) techniques for data analysis in physics. However, the application of ML methods to solve differential equations capable of describing even complex physical systems is not yet fully widespread in theoretical high-energy physics. Hamiltonian Neural Networks (HNNs) are tools that minimize a loss function defined to solve Hamilton equations of motion. In this work, we implement several HNNs trained to solve, with high accuracy, the Hamilton equations for a massless probe moving inside a smooth and horizonless geometry known as D1-D5 circular fuzzball. We study both planar (equatorial) and non-planar geodesics in different regimes according to the impact parameter, some of which are unstable. Our findings suggest that HNNs could eventually replace standard numerical integrators, as they are equally accurate but more reliable in critical situations.
comment: 25 pages + Appendices, 39 figures
☆ MAMUT: A Novel Framework for Modifying Mathematical Formulas for the Generation of Specialized Datasets for Language Model Training
Mathematical formulas are a fundamental and widely used component in various scientific fields, serving as a universal language for expressing complex concepts and relationships. While state-of-the-art transformer models excel in processing and understanding natural language, they encounter challenges with mathematical notation, which involves a complex structure and diverse representations. This study focuses on the development of specialized training datasets to enhance the encoding of mathematical content. We introduce Math Mutator (MAMUT), a framework capable of generating equivalent and falsified versions of a given mathematical formula in LaTeX notation, effectively capturing the mathematical variety in notation of the same concept. Based on MAMUT, we have generated four large mathematical datasets containing diverse notation, which can be used to train language models with enhanced mathematical embeddings.
♻ ☆ Nearly Optimal Algorithms for Contextual Dueling Bandits from Adversarial Feedback
Learning from human feedback plays an important role in aligning generative models, such as large language models (LLM). However, the effectiveness of this approach can be influenced by adversaries, who may intentionally provide misleading preferences to manipulate the output in an undesirable or harmful direction. To tackle this challenge, we study a specific model within this problem domain--contextual dueling bandits with adversarial feedback, where the true preference label can be flipped by an adversary. We propose an algorithm namely robust contextual dueling bandits (RCDB), which is based on uncertainty-weighted maximum likelihood estimation. Our algorithm achieves an $\tilde O(d\sqrt{T}/\kappa+dC/\kappa)$ regret bound, where $T$ is the number of rounds, $d$ is the dimension of the context, $\kappa$ is the lower bound of the derivative of the link function, and $ 0 \le C \le T$ is the total number of adversarial feedback. We also prove a lower bound to show that our regret bound is nearly optimal, both in scenarios with and without ($C=0$) adversarial feedback. Our work is the first to achieve nearly minimax optimal regret for dueling bandits in the presence of adversarial preference feedback. Additionally, for the sigmoid link function, we develop a novel algorithm that takes into account the effect of local derivatives into maximum likelihood estimation (MLE) analysis through a refined method for estimating the link function's derivative. This method helps us to eliminate the $\kappa$ dependence in the leading term with respect to $T$, which reduces the exponential dependence on the parameter radius $B$ to a polynomial dependence.
comment: 44pages, 2 figures, 1 table
♻ ☆ Toward Foundational Model for Sleep Analysis Using a Multimodal Hybrid Self-Supervised Learning Framework
Sleep is essential for maintaining human health and quality of life. Analyzing physiological signals during sleep is critical in assessing sleep quality and diagnosing sleep disorders. However, manual diagnoses by clinicians are time-intensive and subjective. Despite advances in deep learning that have enhanced automation, these approaches remain heavily dependent on large-scale labeled datasets. This study introduces SynthSleepNet, a multimodal hybrid self-supervised learning framework designed for analyzing polysomnography (PSG) data. SynthSleepNet effectively integrates masked prediction and contrastive learning to leverage complementary features across multiple modalities, including electroencephalogram (EEG), electrooculography (EOG), electromyography (EMG), and electrocardiogram (ECG). This approach enables the model to learn highly expressive representations of PSG data. Furthermore, a temporal context module based on Mamba was developed to efficiently capture contextual information across signals. SynthSleepNet achieved superior performance compared to state-of-the-art methods across three downstream tasks: sleep-stage classification, apnea detection, and hypopnea detection, with accuracies of 89.89%, 99.75%, and 89.60%, respectively. The model demonstrated robust performance in a semi-supervised learning environment with limited labels, achieving accuracies of 87.98%, 99.37%, and 77.52% in the same tasks. These results underscore the potential of the model as a foundational tool for the comprehensive analysis of PSG data. SynthSleepNet demonstrates comprehensively superior performance across multiple downstream tasks compared to other methodologies, making it expected to set a new standard for sleep disorder monitoring and diagnostic systems.
comment: 18 pages, 5 figures
♻ ☆ Cache Me If You Must: Adaptive Key-Value Quantization for Large Language Models
Efficient real-world deployments of large language models (LLMs) rely on Key-Value (KV) caching for processing and generating long outputs, reducing the need for repetitive computation. For large contexts, Key-Value caches can take up tens of gigabytes of device memory, as they store vector representations for each token and layer. Recent work has shown that the cached vectors can be compressed through quantization, pruning or merging, but these techniques often compromise quality towards higher compression rates. In this work, we aim to improve Key & Value compression by exploiting two observations: 1) the inherent dependencies between keys and values across different layers, and 2) high-compression mechanisms for internal network states. We propose AQUA-KV, an adaptive quantization for Key-Value caches that relies on compact adapters to exploit existing dependencies between Keys and Values, and aims to "optimally" compress the information that cannot be predicted. AQUA-KV significantly improves compression rates, while maintaining high accuracy on state-of-the-art LLM families. On Llama 3.2 LLMs, we achieve near-lossless inference at 2-2.5 bits per value with under $1\%$ relative error in perplexity and LongBench scores. AQUA-KV is one-shot, simple, and efficient: it can be calibrated on a single GPU within 1-6 hours, even for 70B models.
comment: Preprint, under review
♻ ☆ Connecting Federated ADMM to Bayes
We provide new connections between two distinct federated learning approaches based on (i) ADMM and (ii) Variational Bayes (VB), and propose new variants by combining their complementary strengths. Specifically, we show that the dual variables in ADMM naturally emerge through the 'site' parameters used in VB with isotropic Gaussian covariances. Using this, we derive two versions of ADMM from VB that use flexible covariances and functional regularisation, respectively. Through numerical experiments, we validate the improvements obtained in performance. The work shows connection between two fields that are believed to be fundamentally different and combines them to improve federated learning.
♻ ☆ Logicbreaks: A Framework for Understanding Subversion of Rule-based Inference
We study how to subvert large language models (LLMs) from following prompt-specified rules. We first formalize rule-following as inference in propositional Horn logic, a mathematical system in which rules have the form "if $P$ and $Q$, then $R$" for some propositions $P$, $Q$, and $R$. Next, we prove that although small transformers can faithfully follow such rules, maliciously crafted prompts can still mislead both theoretical constructions and models learned from data. Furthermore, we demonstrate that popular attack algorithms on LLMs find adversarial prompts and induce attention patterns that align with our theory. Our novel logic-based framework provides a foundation for studying LLMs in rule-based settings, enabling a formal analysis of tasks like logical reasoning and jailbreak attacks.
♻ ☆ Reservoir Computing Benchmarks: a tutorial review and critique
Reservoir Computing is an Unconventional Computation model to perform computation on various different substrates, such as recurrent neural networks or physical materials. The method takes a 'black-box' approach, training only the outputs of the system it is built on. As such, evaluating the computational capacity of these systems can be challenging. We review and critique the evaluation methods used in the field of reservoir computing. We introduce a categorisation of benchmark tasks. We review multiple examples of benchmarks from the literature as applied to reservoir computing, and note their strengths and shortcomings. We suggest ways in which benchmarks and their uses may be improved to the benefit of the reservoir computing community.
comment: 47 pp, 15 figures, 9 tables, review article
♻ ☆ Cell-ontology guided transcriptome foundation model NeurIPS 2024
Transcriptome foundation models TFMs hold great promises of deciphering the transcriptomic language that dictate diverse cell functions by self-supervised learning on large-scale single-cell gene expression data, and ultimately unraveling the complex mechanisms of human diseases. However, current TFMs treat cells as independent samples and ignore the taxonomic relationships between cell types, which are available in cell ontology graphs. We argue that effectively leveraging this ontology information during the TFM pre-training can improve learning biologically meaningful gene co-expression patterns while preserving TFM as a general purpose foundation model for downstream zero-shot and fine-tuning tasks. To this end, we present single cell, Cell-ontology guided TFM scCello. We introduce cell-type coherence loss and ontology alignment loss, which are minimized along with the masked gene expression prediction loss during the pre-training. The novel loss component guide scCello to learn the cell-type-specific representation and the structural relation between cell types from the cell ontology graph, respectively. We pre-trained scCello on 22 million cells from CellxGene database leveraging their cell-type labels mapped to the cell ontology graph from Open Biological and Biomedical Ontology Foundry. Our TFM demonstrates competitive generalization and transferability performance over the existing TFMs on biologically important tasks including identifying novel cell types of unseen cells, prediction of cell-type-specific marker genes, and cancer drug responses.
comment: Accepted to NeurIPS 2024 as Spotlight
♻ ☆ Identifiable Multi-View Causal Discovery Without Non-Gaussianity
We propose a novel approach to linear causal discovery in the framework of multi-view Structural Equation Models (SEM). Our proposed model relaxes the well-known assumption of non-Gaussian disturbances by alternatively assuming diversity of variances over views, making it more broadly applicable. We prove the identifiability of all the parameters of the model without any further assumptions on the structure of the SEM other than it being acyclic. We further propose an estimation algorithm based on recent advances in multi-view Independent Component Analysis (ICA). The proposed methodology is validated through simulations and application on real neuroimaging data, where it enables the estimation of causal graphs between brain regions.
♻ ☆ Exploring the Effectiveness of Object-Centric Representations in Visual Question Answering: Comparative Insights with Foundation Models
Object-centric (OC) representations, which model visual scenes as compositions of discrete objects, have the potential to be used in various downstream tasks to achieve systematic compositional generalization and facilitate reasoning. However, these claims have yet to be thoroughly validated empirically. Recently, foundation models have demonstrated unparalleled capabilities across diverse domains, from language to computer vision, positioning them as a potential cornerstone of future research for a wide range of computational tasks. In this paper, we conduct an extensive empirical study on representation learning for downstream Visual Question Answering (VQA), which requires an accurate compositional understanding of the scene. We thoroughly investigate the benefits and trade-offs of OC models and alternative approaches including large pre-trained foundation models on both synthetic and real-world data, ultimately identifying a promising path to leverage the strengths of both paradigms. The extensiveness of our study, encompassing over 600 downstream VQA models and 15 different types of upstream representations, also provides several additional insights that we believe will be of interest to the community at large.
♻ ☆ On Rademacher Complexity-based Generalization Bounds for Deep Learning
We show that the Rademacher complexity-based framework can establish non-vacuous generalization bounds for Convolutional Neural Networks (CNNs) in the context of classifying a small set of image classes. A key technical advancement is the formulation of novel contraction lemmas for high-dimensional mappings between vector spaces, specifically designed for general Lipschitz activation functions. These lemmas extend and refine the Talagrand contraction lemma across a broader range of scenarios. Our Rademacher complexity bound provides an enhancement over the results presented by Golowich et al. for ReLU-based Deep Neural Networks (DNNs). Moreover, while previous works utilizing Rademacher complexity have primarily focused on ReLU DNNs, our results generalize to a wider class of activation functions.
comment: Updated new results and experiments (52 pages)
♻ ☆ Beyond the Kolmogorov Barrier: A Learnable Weighted Hybrid Autoencoder for Model Order Reduction
Representation learning for high-dimensional, complex physical systems aims to identify a low-dimensional intrinsic latent space, which is crucial for reduced-order modeling and modal analysis. To overcome the well-known Kolmogorov barrier, deep autoencoders (AEs) have been introduced in recent years, but they often suffer from poor convergence behavior as the rank of the latent space increases. To address this issue, we propose the learnable weighted hybrid autoencoder, a hybrid approach that combines the strengths of singular value decomposition (SVD) with deep autoencoders through a learnable weighted framework. We find that the introduction of learnable weighting parameters is essential -- without them, the resulting model would either collapse into a standard POD or fail to exhibit the desired convergence behavior. Interestingly, we empirically find that our trained model has a sharpness thousands of times smaller compared to other models. Our experiments on classical chaotic PDE systems, including the 1D Kuramoto-Sivashinsky and forced isotropic turbulence datasets, demonstrate that our approach significantly improves generalization performance compared to several competing methods. Additionally, when combining with time series modeling techniques (e.g., Koopman operator, LSTM), the proposed technique offers significant improvements for surrogate modeling of high-dimensional multi-scale PDE systems.
comment: 31 pages
♻ ☆ Data-driven Error Estimation: Upper Bounding Multiple Errors without Class Complexity as Input
Constructing confidence intervals that are simultaneously valid across a class of estimates is central for tasks such as multiple mean estimation, bounding generalization error in machine learning, and adaptive experimental design. We frame this as an "error estimation problem," where the goal is to determine a high-probability upper bound on the maximum error for a class of estimates. We propose an entirely data-driven approach that derives such bounds for both finite and infinite class settings, naturally adapting to a potentially unknown correlation structure of random errors. Notably, our method does not require class complexity as an input, overcoming a major limitation of existing approaches such as union bounding and bounds based on Talagrand's inequality. In this paper, we present our simple yet general solution and demonstrate its flexibility through applications ranging from constructing multiple simultaneously valid confidence intervals to optimizing exploration in contextual bandit algorithms.
♻ ☆ Quantum-machine-assisted Drug Discovery: Survey and Perspective
Drug discovery and development is a highly complex and costly endeavor, typically requiring over a decade and substantial financial investment to bring a new drug to market. Traditional computer-aided drug design (CADD) has made significant progress in accelerating this process, but the development of quantum computing offers potential due to its unique capabilities. This paper discusses the integration of quantum computing into drug discovery and development, focusing on how quantum technologies might accelerate and enhance various stages of the drug development cycle. Specifically, we explore the application of quantum computing in addressing challenges related to drug discovery, such as molecular simulation and the prediction of drug-target interactions, as well as the optimization of clinical trial outcomes. By leveraging the inherent capabilities of quantum computing, we might be able to reduce the time and cost associated with bringing new drugs to market, ultimately benefiting public health.
comment: 17 pages, 3 figures
♻ ☆ The FFT Strikes Back: An Efficient Alternative to Self-Attention
Conventional self-attention mechanisms incur quadratic complexity, limiting their scalability on long sequences. We introduce FFTNet, an adaptive spectral filtering framework that leverages the Fast Fourier Transform (FFT) to achieve global token mixing in $\mathcal{O}(n\log n)$ time. By transforming inputs into the frequency domain, FFTNet exploits the orthogonality and energy preservation guaranteed by Parseval's theorem to capture long-range dependencies efficiently. A learnable spectral filter and modReLU activation dynamically emphasize salient frequency components, providing a rigorous and adaptive alternative to traditional self-attention. Experiments on the Long Range Arena and ImageNet benchmarks validate our theoretical insights and demonstrate superior performance over fixed Fourier and standard attention models.
♻ ☆ SemlaFlow -- Efficient 3D Molecular Generation with Latent Attention and Equivariant Flow Matching AISTATS 2025
Methods for jointly generating molecular graphs along with their 3D conformations have gained prominence recently due to their potential impact on structure-based drug design. Current approaches, however, often suffer from very slow sampling times or generate molecules with poor chemical validity. Addressing these limitations, we propose Semla, a scalable E(3)-equivariant message passing architecture. We further introduce an unconditional 3D molecular generation model, SemlaFlow, which is trained using equivariant flow matching to generate a joint distribution over atom types, coordinates, bond types and formal charges. Our model produces state-of-the-art results on benchmark datasets with as few as 20 sampling steps, corresponding to a two order-of-magnitude speedup compared to state-of-the-art. Furthermore, we highlight limitations of current evaluation methods for 3D generation and propose new benchmark metrics for unconditional molecular generators. Finally, using these new metrics, we compare our model's ability to generate high quality samples against current approaches and further demonstrate SemlaFlow's strong performance.
comment: AISTATS 2025
♻ ☆ Revisiting a Design Choice in Gradient Temporal Difference Learning ICLR 2025
Off-policy learning enables a reinforcement learning (RL) agent to reason counterfactually about policies that are not executed and is one of the most important ideas in RL. It, however, can lead to instability when combined with function approximation and bootstrapping, two arguably indispensable ingredients for large-scale reinforcement learning. This is the notorious deadly triad. The seminal work Sutton et al. (2008) pioneers Gradient Temporal Difference learning (GTD) as the first solution to the deadly triad, which has enjoyed massive success thereafter. During the derivation of GTD, some intermediate algorithm, called $A^\top$TD, was invented but soon deemed inferior. In this paper, we revisit this $A^\top$TD and prove that a variant of $A^\top$TD, called $A_t^\top$TD, is also an effective solution to the deadly triad. Furthermore, this $A_t^\top$TD only needs one set of parameters and one learning rate. By contrast, GTD has two sets of parameters and two learning rates, making it hard to tune in practice. We provide asymptotic analysis for $A^\top_t$TD and finite sample analysis for a variant of $A^\top_t$TD that additionally involves a projection operator. The convergence rate of this variant is on par with the canonical on-policy temporal difference learning.
comment: ICLR 2025
♻ ☆ Relaxed Recursive Transformers: Effective Parameter Sharing with Layer-wise LoRA ICLR 2025
Large language models (LLMs) are expensive to deploy. Parameter sharing offers a possible path towards reducing their size and cost, but its effectiveness in modern LLMs remains fairly limited. In this work, we revisit "layer tying" as form of parameter sharing in Transformers, and introduce novel methods for converting existing LLMs into smaller "Recursive Transformers" that share parameters across layers, with minimal loss of performance. Here, our Recursive Transformers are efficiently initialized from standard pretrained Transformers, but only use a single block of unique layers that is then repeated multiple times in a loop. We further improve performance by introducing Relaxed Recursive Transformers that add flexibility to the layer tying constraint via depth-wise low-rank adaptation (LoRA) modules, yet still preserve the compactness of the overall model. We show that our recursive models (e.g., recursive Gemma 1B) outperform both similar-sized vanilla pretrained models (such as TinyLlama 1.1B and Pythia 1B) and knowledge distillation baselines -- and can even recover most of the performance of the original "full-size" model (e.g., Gemma 2B with no shared parameters). Finally, we propose Continuous Depth-wise Batching, a promising new inference paradigm enabled by the Recursive Transformer when paired with early exiting. In a theoretical analysis, we show that this has the potential to lead to significant (2-3x) gains in inference throughput.
comment: ICLR 2025; 49 pages, 17 figures, 19 tables
♻ ☆ ReMatching Dynamic Reconstruction Flow
Reconstructing a dynamic scene from image inputs is a fundamental computer vision task with many downstream applications. Despite recent advancements, existing approaches still struggle to achieve high-quality reconstructions from unseen viewpoints and timestamps. This work introduces the ReMatching framework, designed to improve reconstruction quality by incorporating deformation priors into dynamic reconstruction models. Our approach advocates for velocity-field based priors, for which we suggest a matching procedure that can seamlessly supplement existing dynamic reconstruction pipelines. The framework is highly adaptable and can be applied to various dynamic representations. Moreover, it supports integrating multiple types of model priors and enables combining simpler ones to create more complex classes. Our evaluations on popular benchmarks involving both synthetic and real-world dynamic scenes demonstrate that augmenting current state-of-the-art methods with our approach leads to a clear improvement in reconstruction accuracy.
comment: Our project website is at https://research.nvidia.com/labs/toronto-ai/ReMatchingDynamicReconstructionFlow
♻ ☆ TRENDy: Temporal Regression of Effective Nonlinear Dynamics ICLR 2025
Spatiotemporal dynamics pervade the natural sciences, from the morphogen dynamics underlying patterning in animal pigmentation to the protein waves controlling cell division. A central challenge lies in understanding how controllable parameters induce qualitative changes in system behavior called bifurcations. This endeavor is particularly difficult in realistic settings where governing partial differential equations (PDEs) are unknown and data is limited and noisy. To address this challenge, we propose TRENDy (Temporal Regression of Effective Nonlinear Dynamics), an equation-free approach to learning low-dimensional, predictive models of spatiotemporal dynamics. TRENDy first maps input data to a low-dimensional space of effective dynamics through a cascade of multiscale filtering operations. Our key insight is the recognition that these effective dynamics can be fit by a neural ordinary differential equation (NODE) having the same parameter space as the input PDE. The preceding filtering operations strongly regularize the phase space of the NODE, making TRENDy significantly more robust to noise compared to existing methods. We train TRENDy to predict the effective dynamics of synthetic and real data representing dynamics from across the physical and life sciences. We then demonstrate how we can automatically locate both Turing and Hopf bifurcations in unseen regions of parameter space. We finally apply our method to the analysis of spatial patterning of the ocellated lizard through development. We found that TRENDy's predicted effective state not only accurately predicts spatial changes over time but also identifies distinct pattern features unique to different anatomical regions, such as the tail, neck, and body--an insight that highlights the potential influence of surface geometry on reaction-diffusion mechanisms and their role in driving spatially varying pattern dynamics.
comment: 10 pages, 14 appendix pages, 5 figures, 7 appendix figures. Updated to reflect acceptance at ICLR 2025. Minor formatting updates
♻ ☆ Four-hour thunderstorm nowcasting using deep diffusion models of satellite
Convection (thunderstorm) develops rapidly within hours and is highly destructive, posing a significant challenge for nowcasting and resulting in substantial losses to nature and society. After the emergence of artificial intelligence (AI)-based methods, convection nowcasting has experienced rapid advancements, with its performance surpassing that of physics-based numerical weather prediction and other conventional approaches. However, the lead time and coverage of it still leave much to be desired and hardly meet the needs of disaster emergency response. Here, we propose deep diffusion models of satellite (DDMS) to establish an AI-based convection nowcasting system. On one hand, it employs diffusion processes to effectively simulate complicated spatiotemporal evolution patterns of convective clouds, significantly improving the forecast lead time. On the other hand, it utilizes geostationary satellite brightness temperature data, thereby achieving planetary-scale forecast coverage. During long-term tests and objective validation based on the FengYun-4A satellite, our system achieves, for the first time, effective convection nowcasting up to 4 hours, with broad coverage (about 20,000,000 km2), remarkable accuracy, and high resolution (15 minutes; 4 km). Its performance reaches a new height in convection nowcasting compared to the existing models. In terms of application, our system operates efficiently (forecasting 4 hours of convection in 8 minutes), and is highly transferable with the potential to collaborate with multiple satellites for global convection nowcasting. Furthermore, our results highlight the remarkable capabilities of diffusion models in convective clouds forecasting, as well as the significant value of geostationary satellite data when empowered by AI technologies.
♻ ☆ In-Context Learning with Hypothesis-Class Guidance
Recent research has investigated the underlying mechanisms of in-context learning (ICL) both theoretically and empirically, often using data generated from simple function classes. However, the existing work often focuses on the sequence consisting solely of labeled examples, while in practice, labeled examples are typically accompanied by an instruction, providing some side information about the task. In this work, we propose ICL with hypothesis-class guidance (ICL-HCG), a novel synthetic data model for ICL where the input context consists of the literal description of a (finite) hypothesis class H and $(x,y)$ pairs from a hypothesis chosen from H. Under our framework ICL-HCG, we conduct extensive experiments to explore: (i) a variety of generalization abilities to new hypothesis classes; (ii) different model architectures; (iii) sample complexity; (iv) in-context data imbalance; (v) the role of instruction; and (vi) the effect of pretraining hypothesis diversity. As a result, we show that (a) Transformers can successfully learn ICL-HCG and generalize to unseen hypotheses and unseen hypothesis classes, and (b) compared with ICL without instruction, ICL-HCG achieves significantly higher accuracy, demonstrating the role of instructions.
comment: 19 pages, 18 figures
♻ ☆ A Riemannian Framework for Learning Reduced-order Lagrangian Dynamics ICLR'25
By incorporating physical consistency as inductive bias, deep neural networks display increased generalization capabilities and data efficiency in learning nonlinear dynamic models. However, the complexity of these models generally increases with the system dimensionality, requiring larger datasets, more complex deep networks, and significant computational effort. We propose a novel geometric network architecture to learn physically-consistent reduced-order dynamic parameters that accurately describe the original high-dimensional system behavior. This is achieved by building on recent advances in model-order reduction and by adopting a Riemannian perspective to jointly learn a non-linear structure-preserving latent space and the associated low-dimensional dynamics. Our approach enables accurate long-term predictions of the high-dimensional dynamics of rigid and deformable systems with increased data efficiency by inferring interpretable and physically-plausible reduced Lagrangian models.
comment: 28 pages, 16 figures. Accepted for publication in ICLR'25
♻ ☆ Logic Synthesis Optimization with Predictive Self-Supervision via Causal Transformers
Contemporary hardware design benefits from the abstraction provided by high-level logic gates, streamlining the implementation of logic circuits. Logic Synthesis Optimization (LSO) operates at one level of abstraction within the Electronic Design Automation (EDA) workflow, targeting improvements in logic circuits with respect to performance metrics such as size and speed in the final layout. Recent trends in the field show a growing interest in leveraging Machine Learning (ML) for EDA, notably through ML-guided logic synthesis utilizing policy-based Reinforcement Learning (RL) methods.Despite these advancements, existing models face challenges such as overfitting and limited generalization, attributed to constrained public circuits and the expressiveness limitations of graph encoders. To address these hurdles, and tackle data scarcity issues, we introduce LSOformer, a novel approach harnessing Autoregressive transformer models and predictive SSL to predict the trajectory of Quality of Results (QoR). LSOformer integrates cross-attention modules to merge insights from circuit graphs and optimization sequences, thereby enhancing prediction accuracy for QoR metrics. Experimental studies validate the effectiveness of LSOformer, showcasing its superior performance over baseline architectures in QoR prediction tasks, where it achieves improvements of 5.74%, 4.35%, and 17.06% on the EPFL, OABCD, and proprietary circuits datasets, respectively, in inductive setup.
♻ ☆ The BrowserGym Ecosystem for Web Agent Research
The BrowserGym ecosystem addresses the growing need for efficient evaluation and benchmarking of web agents, particularly those leveraging automation and Large Language Models (LLMs). Many existing benchmarks suffer from fragmentation and inconsistent evaluation methodologies, making it challenging to achieve reliable comparisons and reproducible results. In an earlier work, Drouin et al. (2024) introduced BrowserGym which aims to solve this by providing a unified, gym-like environment with well-defined observation and action spaces, facilitating standardized evaluation across diverse benchmarks. We propose an extended BrowserGym-based ecosystem for web agent research, which unifies existing benchmarks from the literature and includes AgentLab, a complementary framework that aids in agent creation, testing, and analysis. Our proposed ecosystem offers flexibility for integrating new benchmarks while ensuring consistent evaluation and comprehensive experiment management. As a supporting evidence, we conduct the first large-scale, multi-benchmark web agent experiment and compare the performance of 6 state-of-the-art LLMs across 6 popular web agent benchmarks made available in BrowserGym. Among other findings, our results highlight a large discrepancy between OpenAI and Anthropic's latests models, with Claude-3.5-Sonnet leading the way on almost all benchmarks, except on vision-related tasks where GPT-4o is superior. Despite these advancements, our results emphasize that building robust and efficient web agents remains a significant challenge, due to the inherent complexity of real-world web environments and the limitations of current models.
♻ ☆ Evidence of Replica Symmetry Breaking under the Nishimori conditions in epidemic inference on graphs
In Bayesian inference, computing the posterior distribution from the data is typically a non-trivial problem, which usually requires approximations such as mean-field approaches or numerical methods, like the Monte Carlo Markov Chain. Being a high-dimensional distribution over a set of correlated variables, the posterior distribution can undergo the notorious replica symmetry breaking transition. When it happens, several mean-field methods and virtually every Monte Carlo scheme can not provide a reasonable approximation to the posterior and its marginals. Replica symmetry is believed to be guaranteed whenever the data is generated with known prior and likelihood distributions, namely under the so-called Nishimori conditions. In this paper, we break this belief, by providing a counter-example showing that, under the Nishimori conditions, replica symmetry breaking arises. Introducing a simple, geometrical model that can be thought of as a patient zero retrieval problem in a highly infectious regime of the epidemic Susceptible-Infectious model, we show that under the Nishimori conditions, there is evidence of replica symmetry breaking. We achieve this result by computing the instability of the replica symmetric cavity method toward the one step replica symmetry broken phase. The origin of this phenomenon -- replica symmetry breaking under the Nishimori conditions -- is likely due to the correlated disorder appearing in the epidemic models.
comment: 17 pages, 7 figures
♻ ☆ Graph Sampling for Scalable and Expressive Graph Neural Networks on Homophilic Graphs
Graph Neural Networks (GNNs) excel in many graph machine learning tasks but face challenges when scaling to large networks. GNN transferability allows training on smaller graphs and applying the model to larger ones, but existing methods often rely on random subsampling, leading to disconnected subgraphs and reduced model expressivity. We propose a novel graph sampling algorithm that leverages feature homophily to preserve graph structure. By minimizing the trace of the data correlation matrix, our method better preserves the graph Laplacian trace -- a proxy for the graph connectivity -- than random sampling, while achieving lower complexity than spectral methods. Experiments on citation networks show improved performance in preserving Laplacian trace and GNN transferability compared to random sampling.
♻ ☆ From Commands to Prompts: LLM-based Semantic File System for AIOS
Large language models (LLMs) have demonstrated significant potential in the development of intelligent applications and systems such as LLM-based agents and agent operating systems (AIOS). However, when these applications and systems interact with the underlying file system, the file system still remains the traditional paradigm: reliant on manual navigation through precise commands. This paradigm poses a bottleneck to the usability of these systems as users are required to navigate complex folder hierarchies and remember cryptic file names. To address this limitation, we propose an LLM-based semantic file system ( LSFS ) for prompt-driven file management. Unlike conventional approaches, LSFS incorporates LLMs to enable users or agents to interact with files through natural language prompts, facilitating semantic file management. At the macro-level, we develop a comprehensive API set to achieve semantic file management functionalities, such as semantic file retrieval, file update monitoring and summarization, and semantic file rollback). At the micro-level, we store files by constructing semantic indexes for them, design and implement syscalls of different semantic operations (e.g., CRUD, group by, join) powered by vector database. Our experiments show that LSFS offers significant improvements over traditional file systems in terms of user convenience, the diversity of supported functions, and the accuracy and efficiency of file operations. Additionally, with the integration of LLM, our system enables more intelligent file management tasks, such as content summarization and version comparison, further enhancing its capabilities.
♻ ☆ MuseGNN: Forming Scalable, Convergent GNN Layers that Minimize a Sampling-Based Energy ICLR 2025
Among the many variants of graph neural network (GNN) architectures capable of modeling data with cross-instance relations, an important subclass involves layers designed such that the forward pass iteratively reduces a graph-regularized energy function of interest. In this way, node embeddings produced at the output layer dually serve as both predictive features for solving downstream tasks (e.g., node classification) and energy function minimizers that inherit transparent, exploitable inductive biases and interpretability. However, scaling GNN architectures constructed in this way remains challenging, in part because the convergence of the forward pass may involve models with considerable depth. To tackle this limitation, we propose a sampling-based energy function and scalable GNN layers that iteratively reduce it, guided by convergence guarantees in certain settings. We also instantiate a full GNN architecture based on these designs, and the model achieves competitive accuracy and scalability when applied to the largest publicly-available node classification benchmark exceeding 1TB in size. Our source code is available at https://github.com/haitian-jiang/MuseGNN.
comment: Accepted by ICLR 2025
♻ ☆ Neural Context Flows for Meta-Learning of Dynamical Systems ICLR 2025
Neural Ordinary Differential Equations (NODEs) often struggle to adapt to new dynamic behaviors caused by parameter changes in the underlying physical system, even when these dynamics are similar to previously observed behaviors. This problem becomes more challenging when the changing parameters are unobserved, meaning their value or influence cannot be directly measured when collecting data. To address this issue, we introduce Neural Context Flow (NCF), a robust and interpretable Meta-Learning framework that includes uncertainty estimation. NCF uses Taylor expansion to enable contextual self-modulation, allowing context vectors to influence dynamics from other domains while also modulating themselves. After establishing theoretical guarantees, we empirically test NCF and compare it to related adaptation methods. Our results show that NCF achieves state-of-the-art Out-of-Distribution performance on 5 out of 6 linear and non-linear benchmark problems. Through extensive experiments, we explore the flexible model architecture of NCF and the encoded representations within the learned context vectors. Our findings highlight the potential implications of NCF for foundational models in the physical sciences, offering a promising approach to improving the adaptability and generalization of NODEs in various scientific applications. Our code is openly available at https://github.com/ddrous/ncflow.
comment: Accepted as a conference paper at ICLR 2025
♻ ☆ FINDER: Stochastic Mirroring of Noisy Quasi-Newton Search and Deep Network Training
Our proposal is on a new stochastic optimizer for non-convex and possibly non-smooth objective functions typically defined over large dimensional design spaces. Towards this, we have tried to bridge noise-assisted global search and faster local convergence, the latter being the characteristic feature of a Newton-like search. Our specific scheme -- acronymed FINDER (Filtering Informed Newton-like and Derivative-free Evolutionary Recursion), exploits the nonlinear stochastic filtering equations to arrive at a derivative-free update that has resemblance with the Newton search employing the inverse Hessian of the objective function. Following certain simplifications of the update to enable a linear scaling with dimension and a few other enhancements, we apply FINDER to a range of problems, starting with some IEEE benchmark objective functions to a couple of archetypal data-driven problems in deep networks to certain cases of physics-informed deep networks. The performance of the new method vis-\'a-vis the well-known Adam and a few others bears evidence to its promise and potentialities for large dimensional optimization problems of practical interest.
comment: 19 pages, 14 figures, 1 tables, 1 supplementary material. This work has been submitted to the IEEE for possible publication
♻ ☆ Grams: Gradient Descent with Adaptive Momentum Scaling for Training Large Language Models
We introduce $\mathbf{G}$radient Descent with $\mathbf{A}$daptive $\mathbf{M}$omentum $\mathbf{S}$caling ($\mathbf{Grams}$), a novel optimization algorithm that decouples the direction and magnitude of parameter updates in deep learning. Unlike traditional optimizers that directly integrate momentum into updates, Grams separates the update direction, derived from current gradients, from momentum, which is used solely for adaptive magnitude scaling. This approach enables Grams to achieve improved loss descent compared to state-of-the-art cautious and momentum-based optimizers. We theoretically demonstrate that Grams descents faster than other state-of-the-art optimizers and establish a global convergence guarantee for Grams. We also validate its effectiveness through extensive empirical evaluations. The results demonstrate Grams' superior performance, including faster convergence and better generalization, compared to widely-used optimizers such as Adam, Lion, and their cautious variants. Our results highlight Grams' potential as a transformative approach for efficiently training large language models. Code is available at $\href{https://github.com/Gunale0926/Grams}{\text{https://github.com/Gunale0926/Grams}}$.
♻ ☆ DKDM: Data-Free Knowledge Distillation for Diffusion Models with Any Architecture
Diffusion models (DMs) have demonstrated exceptional generative capabilities across various domains, including image, video, and so on. A key factor contributing to their effectiveness is the high quantity and quality of data used during training. However, mainstream DMs now consume increasingly large amounts of data. For example, training a Stable Diffusion model requires billions of image-text pairs. This enormous data requirement poses significant challenges for training large DMs due to high data acquisition costs and storage expenses. To alleviate this data burden, we propose a novel scenario: using existing DMs as data sources to train new DMs with any architecture. We refer to this scenario as Data-Free Knowledge Distillation for Diffusion Models (DKDM), where the generative ability of DMs is transferred to new ones in a data-free manner. To tackle this challenge, we make two main contributions. First, we introduce a DKDM objective that enables the training of new DMs via distillation, without requiring access to the data. Second, we develop a dynamic iterative distillation method that efficiently extracts time-domain knowledge from existing DMs, enabling direct retrieval of training data without the need for a prolonged generative process. To the best of our knowledge, we are the first to explore this scenario. Experimental results demonstrate that our data-free approach not only achieves competitive generative performance but also, in some instances, outperforms models trained with the entire dataset.
♻ ☆ Explainable AI for Classifying UTI Risk Groups Using a Real-World Linked EHR and Pathology Lab Dataset
The use of machine learning and AI on electronic health records (EHRs) holds substantial potential for clinical insight. However, this approach faces challenges due to data heterogeneity, sparsity, temporal misalignment, and limited labeled outcomes. In this context, we leverage a linked EHR dataset of approximately one million de-identified individuals from Bristol, North Somerset, and South Gloucestershire, UK, to characterize urinary tract infections (UTIs). We implemented a data pre-processing and curation pipeline that transforms the raw EHR data into a structured format suitable for developing predictive models focused on data fairness, accountability and transparency. Given the limited availability and biases of ground truth UTI outcomes, we introduce a UTI risk estimation framework informed by clinical expertise to estimate UTI risk across individual patient timelines. Pairwise XGBoost models are trained using this framework to differentiate UTI risk categories with explainable AI techniques applied to identify key predictors and support interpretability. Our findings reveal differences in clinical and demographic predictors across risk groups. While this study highlights the potential of AI-driven insights to support UTI clinical decision-making, further investigation of patient sub-strata and extensive validation are needed to ensure robustness and applicability in clinical practice.
♻ ☆ CS-Bench: A Comprehensive Benchmark for Large Language Models towards Computer Science Mastery ICLR 2025
Large language models (LLMs) have demonstrated significant potential in advancing various fields of research and society. However, the current community of LLMs overly focuses on benchmarks for analyzing specific foundational skills (e.g. mathematics and code generation), neglecting an all-round evaluation of the computer science field. To bridge this gap, we introduce CS-Bench, the first multilingual (English, Chinese, French, German) benchmark dedicated to evaluating the performance of LLMs in computer science. CS-Bench comprises approximately 10K meticulously curated test samples, covering 26 subfields across 4 key areas of computer science, encompassing various task forms and divisions of knowledge and reasoning. Utilizing CS-Bench, we conduct a comprehensive evaluation of over 30 mainstream LLMs, revealing the relationship between CS performance and model scales. We also quantitatively analyze the reasons for failures in existing LLMs and highlight directions for improvements, including knowledge supplementation and CS-specific reasoning. Further cross-capability experiments show a high correlation between LLMs' capabilities in computer science and their abilities in mathematics and coding. Moreover, expert LLMs specialized in mathematics and coding also demonstrate strong performances in several CS subfields. Looking ahead, we envision CS-Bench serving as a cornerstone for LLM applications in the CS field and paving new avenues in assessing LLMs' diverse reasoning capabilities. The CS-Bench data and evaluation code are available at https://github.com/csbench/csbench.
comment: Accepted at ICLR 2025
♻ ☆ SPAM: Spike-Aware Adam with Momentum Reset for Stable LLM Training
Large Language Models (LLMs) have demonstrated exceptional performance across diverse tasks, yet their training remains highly resource-intensive and susceptible to critical challenges such as training instability. A predominant source of this instability stems from gradient and loss spikes, which disrupt the learning process, often leading to costly interventions like checkpoint recovery and experiment restarts, further amplifying inefficiencies. This paper presents a comprehensive investigation into gradient spikes observed during LLM training, revealing their prevalence across multiple architectures and datasets. Our analysis shows that these spikes can be up to $1000\times$ larger than typical gradients, substantially deteriorating model performance. To address this issue, we propose Spike-Aware Adam with Momentum Reset SPAM, a novel optimizer designed to counteract gradient spikes through momentum reset and spike-aware gradient clipping. Extensive experiments, including both pre-training and fine-tuning, demonstrate that SPAM consistently surpasses Adam and its variants across various tasks, including (1) LLM pre-training from 60M to 1B, (2) 4-bit LLM pre-training,(3) reinforcement learning, and (4) Time Series Forecasting. Additionally, SPAM facilitates memory-efficient training by enabling sparse momentum, where only a subset of momentum terms are maintained and updated. When operating under memory constraints, SPAM outperforms state-of-the-art memory-efficient optimizers such as GaLore and Adam-Mini. Our work underscores the importance of mitigating gradient spikes in LLM training and introduces an effective optimization strategy that enhances both training stability and resource efficiency at scale. Code is available at https://github.com/TianjinYellow/SPAM-Optimizer.git
♻ ☆ AutoG: Towards automatic graph construction from tabular data
Recent years have witnessed significant advancements in graph machine learning (GML), with its applications spanning numerous domains. However, the focus of GML has predominantly been on developing powerful models, often overlooking a crucial initial step: constructing suitable graphs from common data formats, such as tabular data. This construction process is fundamental to applying graph-based models, yet it remains largely understudied and lacks formalization. Our research aims to address this gap by formalizing the graph construction problem and proposing an effective solution. We identify two critical challenges to achieve this goal: 1. The absence of dedicated datasets to formalize and evaluate the effectiveness of graph construction methods, and 2. Existing automatic construction methods can only be applied to some specific cases, while tedious human engineering is required to generate high-quality graphs. To tackle these challenges, we present a two-fold contribution. First, we introduce a set of datasets to formalize and evaluate graph construction methods. Second, we propose an LLM-based solution, AutoG, automatically generating high-quality graph schemas without human intervention. The experimental results demonstrate that the quality of constructed graphs is critical to downstream task performance, and AutoG can generate high-quality graphs that rival those produced by human experts. Our code can be accessible from https://github.com/amazon-science/Automatic-Table-to-Graph-Generation.
comment: camera ready version
♻ ☆ XpertAI: uncovering regression model strategies for sub-manifolds
In recent years, Explainable AI (XAI) methods have facilitated profound validation and knowledge extraction from ML models. While extensively studied for classification, few XAI solutions have addressed the challenges specific to regression models. In regression, explanations need to be precisely formulated to address specific user queries (e.g.\ distinguishing between `Why is the output above 0?' and `Why is the output above 50?'). They should furthermore reflect the model's behavior on the relevant data sub-manifold. In this paper, we introduce XpertAI, a framework that disentangles the prediction strategy into multiple range-specific sub-strategies and allows the formulation of precise queries about the model (the `explanandum') as a linear combination of those sub-strategies. XpertAI is formulated generally to work alongside popular XAI attribution techniques, based on occlusion, gradient integration, or reverse propagation. Qualitative and quantitative results, demonstrate the benefits of our approach.
♻ ☆ Legitimate ground-truth-free metrics for deep uncertainty classification scoring AISTATS2025
Despite the increasing demand for safer machine learning practices, the use of Uncertainty Quantification (UQ) methods in production remains limited. This limitation is exacerbated by the challenge of validating UQ methods in absence of UQ ground truth. In classification tasks, when only a usual set of test data is at hand, several authors suggested different metrics that can be computed from such test points while assessing the quality of quantified uncertainties. This paper investigates such metrics and proves that they are theoretically well-behaved and actually tied to some uncertainty ground truth which is easily interpretable in terms of model prediction trustworthiness ranking. Equipped with those new results, and given the applicability of those metrics in the usual supervised paradigm, we argue that our contributions will help promoting a broader use of UQ in deep learning.
comment: Accepted at AISTATS2025. Code is available at https://github.com/owkin/legitimate-uq-metrics
♻ ☆ Tensor Product Neural Networks for Functional ANOVA Model
Interpretability for machine learning models is becoming more and more important as machine learning models become more complex. The functional ANOVA model, which decomposes a high-dimensional function into a sum of lower dimensional functions (commonly referred to as components), is one of the most popular tools for interpretable AI, and recently, various neural networks have been developed for estimating each component in the functional ANOVA model. However, such neural networks are highly unstable when estimating each component since the components themselves are not uniquely defined. That is, there are multiple functional ANOVA decompositions for a given function. In this paper, we propose a novel neural network which guarantees a unique functional ANOVA decomposition and thus is able to estimate each component stably and accurately. We call our proposed neural network ANOVA Tensor Product Neural Network (ANOVA-TPNN) since it is motivated by the tensor product basis expansion. Theoretically, we prove that ANOVA-TPNN can approximate any smooth function well. Empirically, we show that ANOVA-TPNN provide much more stable estimation of each component and thus much more stable interpretation when training data and initial values of the model parameters vary than existing neural networks do.
comment: 45 pages
♻ ☆ Generative AI Policies under the Microscope: How CS Conferences Are Navigating the New Frontier in Scholarly Writing
As the use of Generative AI (Gen-AI) in scholarly writing and peer reviews continues to rise, it is essential for the computing field to establish and adopt clear Gen-AI policies. This study examines the landscape of Gen-AI policies across 64 major Computer Science conferences and offers recommendations for promoting more effective and responsible use of Gen-AI in the field.
comment: Accepted and to appear in Communications of the ACM (CACM) in 2025
♻ ☆ Non-Parametric Learning of Stochastic Differential Equations with Non-asymptotic Fast Rates of Convergence
We propose a novel non-parametric learning paradigm for the identification of drift and diffusion coefficients of multi-dimensional non-linear stochastic differential equations, which relies upon discrete-time observations of the state. The key idea essentially consists of fitting a RKHS-based approximation of the corresponding Fokker-Planck equation to such observations, yielding theoretical estimates of non-asymptotic learning rates which, unlike previous works, become increasingly tighter when the regularity of the unknown drift and diffusion coefficients becomes higher. Our method being kernel-based, offline pre-processing may be profitably leveraged to enable efficient numerical implementation, offering excellent balance between precision and computational complexity.
Learning diverse attacks on large language models for robust red-teaming and safety tuning ICLR 2025
Red-teaming, or identifying prompts that elicit harmful responses, is a critical step in ensuring the safe and responsible deployment of large language models (LLMs). Developing effective protection against many modes of attack prompts requires discovering diverse attacks. Automated red-teaming typically uses reinforcement learning to fine-tune an attacker language model to generate prompts that elicit undesirable responses from a target LLM, as measured, for example, by an auxiliary toxicity classifier. We show that even with explicit regularization to favor novelty and diversity, existing approaches suffer from mode collapse or fail to generate effective attacks. As a flexible and probabilistically principled alternative, we propose to use GFlowNet fine-tuning, followed by a secondary smoothing phase, to train the attacker model to generate diverse and effective attack prompts. We find that the attacks generated by our method are effective against a wide range of target LLMs, both with and without safety tuning, and transfer well between target LLMs. Finally, we demonstrate that models safety-tuned using a dataset of red-teaming prompts generated by our method are robust to attacks from other RL-based red-teaming approaches.
comment: ICLR 2025
♻ ☆ LLM Whisperer: An Inconspicuous Attack to Bias LLM Responses
Writing effective prompts for large language models (LLM) can be unintuitive and burdensome. In response, services that optimize or suggest prompts have emerged. While such services can reduce user effort, they also introduce a risk: the prompt provider can subtly manipulate prompts to produce heavily biased LLM responses. In this work, we show that subtle synonym replacements in prompts can increase the likelihood (by a difference up to 78%) that LLMs mention a target concept (e.g., a brand, political party, nation). We substantiate our observations through a user study, showing that our adversarially perturbed prompts 1) are indistinguishable from unaltered prompts by humans, 2) push LLMs to recommend target concepts more often, and 3) make users more likely to notice target concepts, all without arousing suspicion. The practicality of this attack has the potential to undermine user autonomy. Among other measures, we recommend implementing warnings against using prompts from untrusted parties.
♻ ☆ Data Quality Control in Federated Instruction-tuning of Large Language Models
Federated Learning (FL) enables privacy-preserving collaborative instruction tuning of large language models (LLMs) by leveraging massively distributed data. However, the decentralized nature of FL exacerbates data quality challenges, as local clients lack global visibility to filter noisy or low-quality samples before training. To resolve this issue, we propose FedDQC, a novel federated instruction tuning framework with dynamic data quality control. Our approach introduces two key innovations. First, we propose instruction-response alignment (IRA), an efficient client-side metric for quality evaluation requiring only low-cost inference. We validate that higher-IRA data corresponds to more relevant and easier-to-learn question-answer pairs. Second, mirroring the human easy-to-hard knowledge acquisition process, we design a quality-aware hierarchical FL training framework, where the LLM is progressively fine-tuned from high- to low-IRA data in a collaborative manner. The framework also supports adaptive data quality assessment at each hierarchy, enabling dynamic adjustments throughout the training process. Extensive experiments on synthetic and real-world datasets show that our method significantly improves LLM performance on mixed-quality data in FL.
♻ ☆ Zero-shot Imputation with Foundation Inference Models for Dynamical Systems
Dynamical systems governed by ordinary differential equations (ODEs) serve as models for a vast number of natural and social phenomena. In this work, we offer a fresh perspective on the classical problem of imputing missing time series data, whose underlying dynamics are assumed to be determined by ODEs. Specifically, we revisit ideas from amortized inference and neural operators, and propose a novel supervised learning framework for zero-shot time series imputation, through parametric functions satisfying some (hidden) ODEs. Our proposal consists of two components. First, a broad probability distribution over the space of ODE solutions, observation times and noise mechanisms, with which we generate a large, synthetic dataset of (hidden) ODE solutions, along with their noisy and sparse observations. Second, a neural recognition model that is trained offline, to map the generated time series onto the spaces of initial conditions and time derivatives of the (hidden) ODE solutions, which we then integrate to impute the missing data. We empirically demonstrate that one and the same (pretrained) recognition model can perform zero-shot imputation across 63 distinct time series with missing values, each sampled from widely different dynamical systems. Likewise, we demonstrate that it can perform zero-shot imputation of missing high-dimensional data in 10 vastly different settings, spanning human motion, air quality, traffic and electricity studies, as well as Navier-Stokes simulations -- without requiring any fine-tuning. What is more, our proposal often outperforms state-of-the-art methods, which are trained on the target datasets. Our pretrained model, repository and tutorials are available online.
♻ ☆ Kanana: Compute-efficient Bilingual Language Models
We introduce Kanana, a series of bilingual language models that demonstrate exceeding performance in Korean and competitive performance in English. The computational cost of Kanana is significantly lower than that of state-of-the-art models of similar size. The report details the techniques employed during pre-training to achieve compute-efficient yet competitive models, including high quality data filtering, staged pre-training, depth up-scaling, and pruning and distillation. Furthermore, the report outlines the methodologies utilized during the post-training of the Kanana models, encompassing supervised fine-tuning and preference optimization, aimed at enhancing their capability for seamless interaction with users. Lastly, the report elaborates on plausible approaches used for language model adaptation to specific scenarios, such as embedding, retrieval augmented generation, and function calling. The Kanana model series spans from 2.1B to 32.5B parameters with 2.1B models (base, instruct, embedding) publicly released to promote research on Korean language models.
comment: 40 pages, 15 figures
♻ ☆ Fast Training of Sinusoidal Neural Fields via Scaling Initialization ICLR 2025
Neural fields are an emerging paradigm that represent data as continuous functions parameterized by neural networks. Despite many advantages, neural fields often have a high training cost, which prevents a broader adoption. In this paper, we focus on a popular family of neural fields, called sinusoidal neural fields (SNFs), and study how it should be initialized to maximize the training speed. We find that the standard initialization scheme for SNFs -- designed based on the signal propagation principle -- is suboptimal. In particular, we show that by simply multiplying each weight (except for the last layer) by a constant, we can accelerate SNF training by 10$\times$. This method, coined $\textit{weight scaling}$, consistently provides a significant speedup over various data domains, allowing the SNFs to train faster than more recently proposed architectures. To understand why the weight scaling works well, we conduct extensive theoretical and empirical analyses which reveal that the weight scaling not only resolves the spectral bias quite effectively but also enjoys a well-conditioned optimization trajectory.
comment: ICLR 2025
♻ ☆ Exploring Information-Theoretic Metrics Associated with Neural Collapse in Supervised Training
In this paper, we introduce matrix entropy as an analytical tool for studying supervised learning, investigating the information content of data representations and classification head vectors, as well as the dynamic interactions between them during the supervised learning process. Our experimental results reveal that matrix entropy effectively captures the variations in information content of data representations and classification head vectors as neural networks approach Neural Collapse during supervised training, while also serving as a robust metric for measuring similarity among data samples. Leveraging this property, we propose Cross-Model Alignment (CMA) loss to optimize the fine-tuning of pretrained models. To characterize the dynamics of neural networks nearing the Neural Collapse state, we introduce two novel metrics: the Matrix Mutual Information Ratio (MIR) and the Matrix Entropy Difference Ratio (HDR), which quantitatively assess the interactions between data representations and classification heads in supervised learning, with theoretical optimal values derived under the Neural Collapse state. Our experiments demonstrate that MIR and HDR effectively explain various phenomena in neural networks, including the dynamics of standard supervised training, linear mode connectivity. Moreover, we use MIR and HDR to analyze the dynamics of grokking, which is a fascinating phenomenon in supervised learning where a model unexpectedly exhibits generalization long after achieving training data fit.
comment: arXiv admin note: text overlap with arXiv:2406.03999
♻ ☆ Towards understanding the bias in decision trees
There is a widespread and longstanding belief that machine learning models are biased towards the majority (or negative) class when learning from imbalanced data, leading them to neglect or ignore the minority (or positive) class. In this study, we show that this belief is not necessarily correct for decision trees, and that their bias can actually be in the opposite direction. Motivated by a recent simulation study that suggested that decision trees can be biased towards the minority class, our paper aims to reconcile the conflict between that study and decades of other works. First, we critically evaluate past literature on this problem, finding that failing to consider the data generating process has led to incorrect conclusions about the bias in decision trees. We then prove that, under specific conditions related to the predictors, decision trees fit to purity and trained on a dataset with only one positive case are biased towards the minority class. Finally, we demonstrate that splits in a decision tree are also biased when there is more than one positive case. Our findings have implications on the use of popular tree-based models, such as random forests.
♻ ☆ Learnable Expansion of Graph Operators for Multi-Modal Feature Fusion ICLR 2025
In computer vision tasks, features often come from diverse representations, domains (e.g., indoor and outdoor), and modalities (e.g., text, images, and videos). Effectively fusing these features is essential for robust performance, especially with the availability of powerful pre-trained models like vision-language models. However, common fusion methods, such as concatenation, element-wise operations, and non-linear techniques, often fail to capture structural relationships, deep feature interactions, and suffer from inefficiency or misalignment of features across domains or modalities. In this paper, we shift from high-dimensional feature space to a lower-dimensional, interpretable graph space by constructing relationship graphs that encode feature relationships at different levels, e.g., clip, frame, patch, token, etc. To capture deeper interactions, we expand graphs through iterative graph relationship updates and introduce a learnable graph fusion operator to integrate these expanded relationships for more effective fusion. Our approach is relationship-centric, operates in a homogeneous space, and is mathematically principled, resembling element-wise relationship score aggregation via multilinear polynomials. We demonstrate the effectiveness of our graph-based fusion method on video anomaly detection, showing strong performance across multi-representational, multi-modal, and multi-domain feature fusion tasks.
comment: Accepted at the Thirteenth International Conference on Learning Representations (ICLR 2025)
♻ ☆ Discovering physical laws with parallel combinatorial tree search
Symbolic regression plays a crucial role in modern scientific research thanks to its capability of discovering concise and interpretable mathematical expressions from data. A grand challenge lies in the arduous search for parsimonious and generalizable mathematical formulas, in an infinite search space, while intending to fit the training data. Existing algorithms have faced a critical bottleneck of accuracy and efficiency over a decade when handling problems of complexity, which essentially hinders the pace of applying symbolic regression for scientific exploration across interdisciplinary domains. To this end, we introduce a parallel combinatorial tree search (PCTS) model to efficiently distill generic mathematical expressions from limited data. Through a series of extensive experiments, we demonstrate the superior accuracy and efficiency of PCTS for equation discovery, which greatly outperforms the state-of-the-art baseline models on over 200 synthetic and experimental datasets (e.g., lifting its performance by up to 99% accuracy improvement and one-order of magnitude speed up). PCTS represents a key advance in accurate and efficient data-driven discovery of symbolic, interpretable models (e.g., underlying physical laws) and marks a pivotal transition towards scalable symbolic learning.
comment: Added new author
♻ ☆ Generating Physical Dynamics under Priors
Generating physically feasible dynamics in a data-driven context is challenging, especially when adhering to physical priors expressed in specific equations or formulas. Existing methodologies often overlook the integration of physical priors, resulting in violation of basic physical laws and suboptimal performance. In this paper, we introduce a novel framework that seamlessly incorporates physical priors into diffusion-based generative models to address this limitation. Our approach leverages two categories of priors: 1) distributional priors, such as roto-translational invariance, and 2) physical feasibility priors, including energy and momentum conservation laws and PDE constraints. By embedding these priors into the generative process, our method can efficiently generate physically realistic dynamics, encompassing trajectories and flows. Empirical evaluations demonstrate that our method produces high-quality dynamics across a diverse array of physical phenomena with remarkable robustness, underscoring its potential to advance data-driven studies in AI4Physics. Our contributions signify a substantial advancement in the field of generative modeling, offering a robust solution to generate accurate and physically consistent dynamics.
♻ ☆ Bayesian computation with generative diffusion models by Multilevel Monte Carlo
Generative diffusion models have recently emerged as a powerful strategy to perform stochastic sampling in Bayesian inverse problems, delivering remarkably accurate solutions for a wide range of challenging applications. However, diffusion models often require a large number of neural function evaluations per sample in order to deliver accurate posterior samples. As a result, using diffusion models as stochastic samplers for Monte Carlo integration in Bayesian computation can be highly computationally expensive, particularly in applications that require a substantial number of Monte Carlo samples for conducting uncertainty quantification analyses. This cost is especially high in large-scale inverse problems such as computational imaging, which rely on large neural networks that are expensive to evaluate. With quantitative imaging applications in mind, this paper presents a Multilevel Monte Carlo strategy that significantly reduces the cost of Bayesian computation with diffusion models. This is achieved by exploiting cost-accuracy trade-offs inherent to diffusion models to carefully couple models of different levels of accuracy in a manner that significantly reduces the overall cost of the calculation, without reducing the final accuracy. The proposed approach achieves a $4\times$-to-$8\times$ reduction in computational cost w.r.t. standard techniques across three benchmark imaging problems.
comment: 13 images
♻ ☆ Out-of-distribution Generalization for Total Variation based Invariant Risk Minimization ICLR 2025
Invariant risk minimization is an important general machine learning framework that has recently been interpreted as a total variation model (IRM-TV). However, how to improve out-of-distribution (OOD) generalization in the IRM-TV setting remains unsolved. In this paper, we extend IRM-TV to a Lagrangian multiplier model named OOD-TV-IRM. We find that the autonomous TV penalty hyperparameter is exactly the Lagrangian multiplier. Thus OOD-TV-IRM is essentially a primal-dual optimization model, where the primal optimization minimizes the entire invariant risk and the dual optimization strengthens the TV penalty. The objective is to reach a semi-Nash equilibrium where the balance between the training loss and OOD generalization is maintained. We also develop a convergent primal-dual algorithm that facilitates an adversarial learning scheme. Experimental results show that OOD-TV-IRM outperforms IRM-TV in most situations.
comment: ICLR 2025
♻ ☆ Training-Free Exponential Context Extension via Cascading KV Cache
The transformer's context window is vital for tasks such as few-shot learning and conditional generation as it preserves previous tokens for active memory. However, as the context lengths increase, the computational costs grow quadratically, hindering the deployment of large language models (LLMs) in real-world, long sequence scenarios. Although some recent key-value caching (KV Cache) methods offer linear inference complexity, they naively manage the stored context, prematurely evicting tokens and losing valuable information. Moreover, they lack an optimized prefill/prompt stage strategy, resulting in higher latency than even quadratic attention for realistic context sizes. In response, we introduce a novel mechanism that leverages cascading sub-cache buffers to selectively retain the most relevant tokens, enabling the model to maintain longer context histories without increasing the cache size. Our approach outperforms linear caching baselines across key benchmarks, including streaming perplexity, question answering, book summarization, and passkey retrieval, where it retains better retrieval accuracy at 1M tokens after four doublings of the cache size of 65K. Additionally, our method reduces prefill stage latency by a factor of 6.8 when compared to flash attention on 1M tokens. These innovations not only enhance the computational efficiency of LLMs but also pave the way for their effective deployment in resource-constrained environments, enabling large-scale, real-time applications with significantly reduced latency.
♻ ☆ On the Adversarial Risk of Test Time Adaptation: An Investigation into Realistic Test-Time Data Poisoning ICLR 2025
Test-time adaptation (TTA) updates the model weights during the inference stage using testing data to enhance generalization. However, this practice exposes TTA to adversarial risks. Existing studies have shown that when TTA is updated with crafted adversarial test samples, also known as test-time poisoned data, the performance on benign samples can deteriorate. Nonetheless, the perceived adversarial risk may be overstated if the poisoned data is generated under overly strong assumptions. In this work, we first review realistic assumptions for test-time data poisoning, including white-box versus grey-box attacks, access to benign data, attack order, and more. We then propose an effective and realistic attack method that better produces poisoned samples without access to benign samples, and derive an effective in-distribution attack objective. We also design two TTA-aware attack objectives. Our benchmarks of existing attack methods reveal that the TTA methods are more robust than previously believed. In addition, we analyze effective defense strategies to help develop adversarially robust TTA methods. The source code is available at https://github.com/Gorilla-Lab-SCUT/RTTDP.
comment: Accepted by ICLR 2025. 25 pages, 4 figures and 12 tables
♻ ☆ DropBP: Accelerating Fine-Tuning of Large Language Models by Dropping Backward Propagation
Large language models (LLMs) have achieved significant success across various domains. However, training these LLMs typically involves substantial memory and computational costs during both forward and backward propagation. While parameter-efficient fine-tuning (PEFT) considerably reduces the training memory associated with parameters, it does not address the significant computational costs and activation memory. In this paper, we propose Dropping Backward Propagation (DropBP), a novel approach designed to reduce computational costs and activation memory while maintaining accuracy. DropBP randomly drops layers during backward propagation, which is essentially equivalent to training shallow submodules generated by undropped layers and residual connections. Additionally, DropBP calculates the sensitivity of each layer to assign an appropriate drop rate, thereby stabilizing the training process. DropBP is not only applicable to full fine-tuning but can also be orthogonally integrated with all types of PEFT by dropping layers during backward propagation. Specifically, DropBP can reduce training time by 44% with comparable accuracy to the baseline, accelerate convergence to the same perplexity by 1.5x, and enable training with a sequence length 6.2x larger on a single NVIDIA-A100 GPU. Furthermore, our DropBP enabled a throughput increase of 79% on a NVIDIA A100 GPU and 117% on an Intel Gaudi2 HPU. The code is available at https://github.com/WooSunghyeon/dropbp.
♻ ☆ ForecastBench: A Dynamic Benchmark of AI Forecasting Capabilities
Forecasts of future events are essential inputs into informed decision-making. Machine learning (ML) systems have the potential to deliver forecasts at scale, but there is no framework for evaluating the accuracy of ML systems on a standardized set of forecasting questions. To address this gap, we introduce ForecastBench: a dynamic benchmark that evaluates the accuracy of ML systems on an automatically generated and regularly updated set of 1,000 forecasting questions. To avoid any possibility of data leakage, ForecastBench is comprised solely of questions about future events that have no known answer at the time of submission. We quantify the capabilities of current ML systems by collecting forecasts from expert (human) forecasters, the general public, and LLMs on a random subset of questions from the benchmark ($N=200$). While LLMs have achieved super-human performance on many benchmarks, they perform less well here: expert forecasters outperform the top-performing LLM ($p$-value $<0.001$). We display system and human scores in a public leaderboard at www.forecastbench.org.
♻ ☆ Hybrid deep learning-based strategy for the hepatocellular carcinoma cancer grade classification of H&E stained liver histopathology images
Hepatocellular carcinoma (HCC) is a common type of liver cancer whose early-stage diagnosis is a common challenge, mainly due to the manual assessment of hematoxylin and eosin-stained whole slide images, which is a time-consuming process and may lead to variability in decision-making. For accurate detection of HCC, we propose a hybrid deep learning-based architecture that uses transfer learning to extract the features from pre-trained convolutional neural network (CNN) models and a classifier made up of a sequence of fully connected layers. This study uses a publicly available The Cancer Genome Atlas Hepatocellular Carcinoma (TCGA-LIHC)database (n=491) for model development and database of Kasturba Gandhi Medical College (KMC), India for validation. The pre-processing step involves patch extraction, colour normalization, and augmentation that results in 3920 patches for the TCGA dataset. The developed hybrid deep neural network consisting of a CNN-based pre-trained feature extractor and a customized artificial neural network-based classifier is trained using five-fold cross-validation. For this study, eight different state-of-the-art models are trained and tested as feature extractors for the proposed hybrid model. The proposed hybrid model with ResNet50-based feature extractor provided the sensitivity, specificity, F1-score, accuracy, and AUC of 100.00%, 100.00%, 100.00%, 100.00%, and 1.00, respectively on the TCGA database. On the KMC database, EfficientNetb3 resulted in the optimal choice of the feature extractor giving sensitivity, specificity, F1-score, accuracy, and AUC of 96.97, 98.85, 96.71, 96.71, and 0.99, respectively. The proposed hybrid models showed improvement in accuracy of 2% and 4% over the pre-trained models in TCGA-LIHC and KMC databases.
comment: 14 figure, 9 tables
♻ ☆ Requirement falsification for cyber-physical systems using generative models
We present the OGAN algorithm for automatic requirement falsification of cyber-physical systems. System inputs and outputs are represented as piecewise constant signals over time while requirements are expressed in signal temporal logic. OGAN can find inputs that are counterexamples for the correctness of a system revealing design, software, or hardware defects before the system is taken into operation. The OGAN algorithm works by training a generative machine learning model to produce such counterexamples. It executes tests offline and does not require any previous model of the system under test. We evaluate OGAN using the ARCH-COMP benchmark problems, and the experimental results show that generative models are a viable method for requirement falsification. OGAN can be applied to new systems with little effort, has few requirements for the system under test, and exhibits state-of-the-art CPS falsification efficiency and effectiveness.
comment: 39 pages, 8 figures, 10 tables
♻ ☆ Highly Efficient Self-Adaptive Reward Shaping for Reinforcement Learning
Reward shaping is a technique in reinforcement learning that addresses the sparse-reward problem by providing more frequent and informative rewards. We introduce a self-adaptive and highly efficient reward shaping mechanism that incorporates success rates derived from historical experiences as shaped rewards. The success rates are sampled from Beta distributions, which dynamically evolve from uncertain to reliable values as data accumulates. Initially, the shaped rewards exhibit more randomness to encourage exploration, while over time, the increasing certainty enhances exploitation, naturally balancing exploration and exploitation. Our approach employs Kernel Density Estimation (KDE) combined with Random Fourier Features (RFF) to derive the Beta distributions, providing a computationally efficient, non-parametric, and learning-free solution for high-dimensional continuous state spaces. Our method is validated on various tasks with extremely sparse rewards, demonstrating notable improvements in sample efficiency and convergence stability over relevant baselines.
♻ ☆ D-NPC: Dynamic Neural Point Clouds for Non-Rigid View Synthesis from Monocular Video
Dynamic reconstruction and spatiotemporal novel-view synthesis of non-rigidly deforming scenes recently gained increased attention. While existing work achieves impressive quality and performance on multi-view or teleporting camera setups, most methods fail to efficiently and faithfully recover motion and appearance from casual monocular captures. This paper contributes to the field by introducing a new method for dynamic novel view synthesis from monocular video, such as casual smartphone captures. Our approach represents the scene as a $\textit{dynamic neural point cloud}$, an implicit time-conditioned point distribution that encodes local geometry and appearance in separate hash-encoded neural feature grids for static and dynamic regions. By sampling a discrete point cloud from our model, we can efficiently render high-quality novel views using a fast differentiable rasterizer and neural rendering network. Similar to recent work, we leverage advances in neural scene analysis by incorporating data-driven priors like monocular depth estimation and object segmentation to resolve motion and depth ambiguities originating from the monocular captures. In addition to guiding the optimization process, we show that these priors can be exploited to explicitly initialize our scene representation to drastically improve optimization speed and final image quality. As evidenced by our experimental evaluation, our dynamic point cloud model not only enables fast optimization and real-time frame rates for interactive applications, but also achieves competitive image quality on monocular benchmark sequences. Our code and data are available online: https://moritzkappel.github.io/projects/dnpc/.
comment: 18 pages, 8 figures, 12 tables. Project page: https://moritzkappel.github.io/projects/dnpc/
♻ ☆ Eliciting In-context Retrieval and Reasoning for Long-context Large Language Models
Recent advancements in long-context language models (LCLMs) promise to transform Retrieval-Augmented Generation (RAG) by simplifying pipelines. With their expanded context windows, LCLMs can process entire knowledge bases and perform retrieval and reasoning directly -- a capability we define as In-Context Retrieval and Reasoning (ICR^2). However, existing benchmarks like LOFT often overestimate LCLM performance by providing overly simplified contexts. To address this, we introduce ICR^2, a benchmark that evaluates LCLMs in more realistic scenarios by including confounding passages retrieved with strong retrievers. We then propose three methods to enhance LCLM performance: (1) retrieve-then-generate fine-tuning, (2) retrieval-attention-probing, which uses attention heads to filter and de-noise long contexts during decoding, and (3) joint retrieval head training alongside the generation head. Our evaluation of five well-known LCLMs on LOFT and ICR^2 demonstrates significant gains with our best approach applied to Mistral-7B: +17 and +15 points by Exact Match on LOFT, and +13 and +2 points on ICR^2, compared to vanilla RAG and supervised fine-tuning, respectively. It even outperforms GPT-4-Turbo on most tasks despite being a much smaller model.
♻ ☆ Do as I do (Safely): Mitigating Task-Specific Fine-tuning Risks in Large Language Models ICLR'25
Recent research shows that fine-tuning on benign instruction-following data can inadvertently undo the safety alignment process and increase a model's propensity to comply with harmful queries. While instruction-following fine-tuning is important, task-specific fine-tuning - where models are trained on datasets with clear ground truth answers (e.g., multiple choice questions) - can enhance model performance on specialized downstream tasks. Understanding and mitigating safety risks in the task-specific setting remains distinct from the instruction-following context due to structural differences in the data. Our work demonstrates how malicious actors can subtly manipulate the structure of almost any task-specific dataset to foster significantly more dangerous model behaviors, while maintaining an appearance of innocuity and reasonable downstream task performance. To address this issue, we propose a novel mitigation strategy that mixes in safety data which mimics the task format and prompting style of the user data, showing this is significantly more effective and efficient than existing baselines at re-establishing safety alignment while maintaining similar task performance.
comment: Accepted to ICLR'25
♻ ☆ Regional climate projections using a deep-learning-based model-ranking and downscaling framework: Application to European climate zones SP
Accurate regional climate forecast calls for high-resolution downscaling of Global Climate Models (GCMs). This work presents a deep-learning-based multi-model evaluation and downscaling framework ranking 32 Coupled Model Intercomparison Project Phase 6 (CMIP6) models using a Deep Learning-TOPSIS (DL-TOPSIS) mechanism and so refines outputs using advanced deep-learning models. Using nine performance criteria, five K\"oppen-Geiger climate zones -- Tropical, Arid, Temperate, Continental, and Polar -- are investigated over four seasons. While TaiESM1 and CMCC-CM2-SR5 show notable biases, ranking results show that NorESM2-LM, GISS-E2-1-G, and HadGEM3-GC31-LL outperform other models. Four models contribute to downscaling the top-ranked GCMs to 0.1$^{\circ}$ resolution: Vision Transformer (ViT), Geospatial Spatiotemporal Transformer with Attention and Imbalance-Aware Network (GeoSTANet), CNN-LSTM, and CNN-Long Short-Term Memory (ConvLSTM). Effectively capturing temperature extremes (TXx, TNn), GeoSTANet achieves the highest accuracy (Root Mean Square Error (RMSE) = 1.57$^{\circ}$C, Kling-Gupta Efficiency (KGE) = 0.89, Nash-Sutcliffe Efficiency (NSE) = 0.85, Correlation ($r$) = 0.92), so reducing RMSE by 20% over ConvLSTM. CNN-LSTM and ConvLSTM do well in Continental and Temperate zones; ViT finds fine-scale temperature fluctuations difficult. These results confirm that multi-criteria ranking improves GCM selection for regional climate studies and transformer-based downscaling exceeds conventional deep-learning methods. This framework offers a scalable method to enhance high-resolution climate projections, benefiting impact assessments and adaptation plans.
comment: This manuscript has been submitted to Environmental Science and Pollution Research (ESPR) for review
♻ ☆ Developing robust methods to handle missing data in real-world applications effectively ECML
Missing data is a pervasive challenge spanning diverse data types, including tabular, sensor data, time-series, images and so on. Its origins are multifaceted, resulting in various missing mechanisms. Prior research in this field has predominantly revolved around the assumption of the Missing Completely At Random (MCAR) mechanism. However, Missing At Random (MAR) and Missing Not At Random (MNAR) mechanisms, though equally prevalent, have often remained underexplored despite their significant influence. This PhD project presents a comprehensive research agenda designed to investigate the implications of diverse missing data mechanisms. The principal aim is to devise robust methodologies capable of effectively handling missing data while accommodating the unique characteristics of MCAR, MAR, and MNAR mechanisms. By addressing these gaps, this research contributes to an enriched understanding of the challenges posed by missing data across various industries and data modalities. It seeks to provide practical solutions that enable the effective management of missing data, empowering researchers and practitioners to leverage incomplete datasets confidently.
comment: This work was presented at the ECML PKDD 2024 PhD Forum. https://ecmlpkdd. org/2024/program-accepted-phd-forum/
♻ ☆ LoCoDL: Communication-Efficient Distributed Learning with Local Training and Compression
In Distributed optimization and Learning, and even more in the modern framework of federated learning, communication, which is slow and costly, is critical. We introduce LoCoDL, a communication-efficient algorithm that leverages the two popular and effective techniques of Local training, which reduces the communication frequency, and Compression, in which short bitstreams are sent instead of full-dimensional vectors of floats. LoCoDL works with a large class of unbiased compressors that includes widely-used sparsification and quantization methods. LoCoDL provably benefits from local training and compression and enjoys a doubly-accelerated communication complexity, with respect to the condition number of the functions and the model dimension, in the general heterogenous regime with strongly convex functions. This is confirmed in practice, with LoCoDL outperforming existing algorithms.
♻ ☆ HVI: A New Color Space for Low-light Image Enhancement
Low-Light Image Enhancement (LLIE) is a crucial computer vision task that aims to restore detailed visual information from corrupted low-light images. Many existing LLIE methods are based on standard RGB (sRGB) space, which often produce color bias and brightness artifacts due to inherent high color sensitivity in sRGB. While converting the images using Hue, Saturation and Value (HSV) color space helps resolve the brightness issue, it introduces significant red and black noise artifacts. To address this issue, we propose a new color space for LLIE, namely Horizontal/Vertical-Intensity (HVI), defined by polarized HS maps and learnable intensity. The former enforces small distances for red coordinates to remove the red artifacts, while the latter compresses the low-light regions to remove the black artifacts. To fully leverage the chromatic and intensity information, a novel Color and Intensity Decoupling Network (CIDNet) is further introduced to learn accurate photometric mapping function under different lighting conditions in the HVI space. Comprehensive results from benchmark and ablation experiments show that the proposed HVI color space with CIDNet outperforms the state-of-the-art methods on 10 datasets. The code is available at https://github.com/Fediory/HVI-CIDNet.
comment: Qingsen Yan, Yixu Feng, and Cheng Zhang contributed equally to this work
♻ ☆ Sparse-ProxSkip: Accelerated Sparse-to-Sparse Training in Federated Learning
In Federated Learning (FL), both client resource constraints and communication costs pose major problems for training large models. In the centralized setting, sparse training addresses resource constraints, while in the distributed setting, local training addresses communication costs. Recent work has shown that local training provably improves communication complexity through acceleration. In this work we show that in FL, naive integration of sparse training and acceleration fails, and we provide theoretical and empirical explanations of this phenomenon. We introduce Sparse-ProxSkip, addressing the issue and implementing the efficient technique of Straight-Through Estimator pruning into sparse training. We demonstrate the performance of Sparse-ProxSkip in extensive experiments.
♻ ☆ Fading memory and the convolution theorem
Several topological and analytical notions of continuity and fading memory for causal and time-invariant filters are introduced, and the relations between them are analyzed. A significant generalization of the convolution theorem that establishes the equivalence between the fading memory property and the availability of convolution representations of linear filters is proved. This result extends a previous similar characterization to a complete array of weighted norms in the definition of the fading memory property. Additionally, the main theorem shows that the availability of convolution representations can be characterized, at least when the codomain is finite-dimensional, not only by the fading memory property but also by the reunion of two purely topological notions that are called minimal continuity and minimal fading memory property. Finally, when the input space and the codomain of a linear functional are Hilbert spaces, it is shown that minimal continuity and the minimal fading memory property guarantee the existence of interesting embeddings of the associated reproducing kernel Hilbert spaces.
♻ ☆ LiNeS: Post-training Layer Scaling Prevents Forgetting and Enhances Model Merging ICLR 2025
Fine-tuning pre-trained models has become the standard approach to endow them with specialized knowledge, but it poses fundamental challenges. In particular, \textit{(i)} fine-tuning often leads to catastrophic forgetting, where improvements on a target domain degrade generalization on other tasks, and \textit{(ii)} merging fine-tuned checkpoints from disparate tasks can lead to significant performance loss. To address these challenges, we introduce LiNeS, Layer-increasing Network Scaling, a post-training editing technique designed to preserve pre-trained generalization while enhancing fine-tuned task performance. LiNeS scales parameter updates linearly based on their layer depth within the network, maintaining shallow layers close to their pre-trained values to preserve general features while allowing deeper layers to retain task-specific representations. In multi-task model merging scenarios, layer-wise scaling of merged parameters reduces negative task interference. LiNeS demonstrates significant improvements in both single-task and multi-task settings across various benchmarks in vision and natural language processing. It mitigates forgetting, enhances out-of-distribution generalization, integrates seamlessly with existing multi-task model merging baselines improving their performance across benchmarks and model sizes, and can boost generalization when merging LLM policies aligned with different rewards via RLHF. Our method is simple to implement, computationally efficient and complementary to many existing techniques. Our source code is available at https://github.com/wang-kee/LiNeS
comment: The first two authors contributed equally to this work. Accepted at ICLR 2025. Project website: https://lines-merging.github.io
♻ ☆ On Oversquashing in Graph Neural Networks Through the Lens of Dynamical Systems AAAI 2025
A common problem in Message-Passing Neural Networks is oversquashing -- the limited ability to facilitate effective information flow between distant nodes. Oversquashing is attributed to the exponential decay in information transmission as node distances increase. This paper introduces a novel perspective to address oversquashing, leveraging dynamical systems properties of global and local non-dissipativity, that enable the maintenance of a constant information flow rate. We present SWAN, a uniquely parameterized GNN model with antisymmetry both in space and weight domains, as a means to obtain non-dissipativity. Our theoretical analysis asserts that by implementing these properties, SWAN offers an enhanced ability to transmit information over extended distances. Empirical evaluations on synthetic and real-world benchmarks that emphasize long-range interactions validate the theoretical understanding of SWAN, and its ability to mitigate oversquashing.
comment: AAAI 2025
♻ ☆ Linear combinations of latents in generative models: subspaces and beyond ICLR
Sampling from generative models has become a crucial tool for applications like data synthesis and augmentation. Diffusion, Flow Matching and Continuous Normalizing Flows have shown effectiveness across various modalities, and rely on latent variables for generation. For experimental design or creative applications that require more control over the generation process, it has become common to manipulate the latent variable directly. However, existing approaches for performing such manipulations (e.g. interpolation or forming low-dimensional representations) only work well in special cases or are network or data-modality specific. We propose Linear combinations of Latent variables (LOL) as a general-purpose method to form linear combinations of latent variables that adhere to the assumptions of the generative model. As LOL is easy to implement and naturally addresses the broader task of forming any linear combinations, e.g. the construction of subspaces of the latent space, LOL dramatically simplifies the creation of expressive low-dimensional representations of high-dimensional objects.
comment: Published at International Conference on Learning Representations (ICLR) 2025
♻ ☆ ManiSkill-HAB: A Benchmark for Low-Level Manipulation in Home Rearrangement Tasks
High-quality benchmarks are the foundation for embodied AI research, enabling significant advancements in long-horizon navigation, manipulation and rearrangement tasks. However, as frontier tasks in robotics get more advanced, they require faster simulation speed, more intricate test environments, and larger demonstration datasets. To this end, we present MS-HAB, a holistic benchmark for low-level manipulation and in-home object rearrangement. First, we provide a GPU-accelerated implementation of the Home Assistant Benchmark (HAB). We support realistic low-level control and achieve over 3x the speed of prior magical grasp implementations at a fraction of the GPU memory usage. Second, we train extensive reinforcement learning (RL) and imitation learning (IL) baselines for future work to compare against. Finally, we develop a rule-based trajectory filtering system to sample specific demonstrations from our RL policies which match predefined criteria for robot behavior and safety. Combining demonstration filtering with our fast environments enables efficient, controlled data generation at scale.
♻ ☆ Understanding Virtual Nodes: Oversquashing and Node Heterogeneity
While message passing neural networks (MPNNs) have convincing success in a range of applications, they exhibit limitations such as the oversquashing problem and their inability to capture long-range interactions. Augmenting MPNNs with a virtual node (VN) removes the locality constraint of the layer aggregation and has been found to improve performance on a range of benchmarks. We provide a comprehensive theoretical analysis of the role of VNs and benefits thereof, through the lenses of oversquashing and sensitivity analysis. First, we characterize, precisely, how the improvement afforded by VNs on the mixing abilities of the network and hence in mitigating oversquashing, depends on the underlying topology. We then highlight that, unlike Graph-Transformers (GTs), classical instantiations of the VN are often constrained to assign uniform importance to different nodes. Consequently, we propose a variant of VN with the same computational complexity, which can have different sensitivity to nodes based on the graph structure. We show that this is an extremely effective and computationally efficient baseline for graph-level tasks.
♻ ☆ Utility-Directed Conformal Prediction: A Decision-Aware Framework for Actionable Uncertainty Quantification
Interest has been growing in decision-focused machine learning methods which train models to account for how their predictions are used in downstream optimization problems. Doing so can often improve performance on subsequent decision problems. However, current methods for uncertainty quantification do not incorporate any information about downstream decisions. We develop a methodology based on conformal prediction to identify prediction sets that account for a downstream cost function, making them more appropriate to inform high-stakes decision-making. Our approach harnesses the strengths of conformal methods -- modularity, model-agnosticism, and statistical coverage guarantees -- while incorporating downstream decisions and user-specified utility functions. We prove that our methods retain standard coverage guarantees. Empirical evaluation across a range of datasets and utility metrics demonstrates that our methods achieve significantly lower costs than standard conformal methods. We present a real-world use case in healthcare diagnosis, where our method effectively incorporates the hierarchical structure of dermatological diseases. The method successfully generates sets with coherent diagnostic meaning, potentially aiding triage for dermatology diagnosis and illustrating how our method can ground high-stakes decision-making employing domain knowledge.
♻ ☆ Small Models are LLM Knowledge Triggers on Medical Tabular Prediction ICLR 2025
Recent development in large language models (LLMs) has demonstrated impressive domain proficiency on unstructured textual or multi-modal tasks. However, despite with intrinsic world knowledge, their application on structured tabular data prediction still lags behind, primarily due to the numerical insensitivity and modality discrepancy that brings a gap between LLM reasoning and statistical tabular learning. Unlike textual or vision data (e.g., electronic clinical notes or medical imaging data), tabular data is often presented in heterogeneous numerical values (e.g., CBC reports). This ubiquitous data format requires intensive expert annotation, and its numerical nature limits LLMs' capability to effectively transfer untapped domain expertise. In this paper, we propose SERSAL, a general self-prompting method by synergy learning with small models to enhance LLM tabular prediction in an unsupervised manner. Specifically, SERSAL utilizes the LLM's prior outcomes as original soft noisy annotations, which are dynamically leveraged to teach a better small student model. Reversely, the outcomes from the trained small model are used to teach the LLM to further refine its real capability. This process can be repeatedly applied to gradually distill refined knowledge for continuous progress. Comprehensive experiments on widely used medical domain tabular datasets show that, without access to gold labels, applying SERSAL to OpenAI GPT reasoning process attains substantial improvement compared to linguistic prompting methods, which serves as an orthogonal direction for tabular LLM, and increasing prompting bonus is observed as more powerful LLMs appear.
comment: Accepted to ICLR 2025. Codes will be available at https://github.com/jyansir/sersal
♻ ☆ Unlocking State-Tracking in Linear RNNs Through Negative Eigenvalues ICLR
Linear Recurrent Neural Networks (LRNNs) such as Mamba, RWKV, GLA, mLSTM, and DeltaNet have emerged as efficient alternatives to Transformers for long sequences. However, both Transformers and LRNNs struggle to perform state-tracking, which may impair performance in tasks such as code evaluation. In one forward pass, current architectures are unable to solve even parity, the simplest state-tracking task, which non-linear RNNs can handle effectively. Recently, Sarrof et al. (2024) demonstrated that the failure of LRNNs like Mamba to solve parity stems from restricting the value range of their diagonal state-transition matrices to $[0, 1]$ and that incorporating negative values can resolve this issue. We extend this result to non-diagonal LRNNs such as DeltaNet. We prove that finite precision LRNNs with state-transition matrices having only positive eigenvalues cannot solve parity, while non-triangular matrices are needed to count modulo $3$. Notably, we also prove that LRNNs can learn any regular language when their state-transition matrices are products of identity minus vector outer product matrices, each with eigenvalues in the range $[-1, 1]$. Our experiments confirm that extending the eigenvalue range of Mamba and DeltaNet to include negative values not only enables them to solve parity but consistently improves their performance on state-tracking tasks. We also show that state-tracking enabled LRNNs can be pretrained stably and efficiently at scale (1.3B parameters), achieving competitive performance on language modeling and showing promise on code and math tasks.
comment: V2: Correction to Theorem 1 and 2 and to point 3 of Proposition 1. V3: ICLR Camera Ready
♻ ☆ UniGEM: A Unified Approach to Generation and Property Prediction for Molecules
Molecular generation and molecular property prediction are both crucial for drug discovery, but they are often developed independently. Inspired by recent studies, which demonstrate that diffusion model, a prominent generative approach, can learn meaningful data representations that enhance predictive tasks, we explore the potential for developing a unified generative model in the molecular domain that effectively addresses both molecular generation and property prediction tasks. However, the integration of these tasks is challenging due to inherent inconsistencies, making simple multi-task learning ineffective. To address this, we propose UniGEM, the first unified model to successfully integrate molecular generation and property prediction, delivering superior performance in both tasks. Our key innovation lies in a novel two-phase generative process, where predictive tasks are activated in the later stages, after the molecular scaffold is formed. We further enhance task balance through innovative training strategies. Rigorous theoretical analysis and comprehensive experiments demonstrate our significant improvements in both tasks. The principles behind UniGEM hold promise for broader applications, including natural language processing and computer vision.
comment: 11 pages, 5 figures
♻ ☆ PFGuard: A Generative Framework with Privacy and Fairness Safeguards ICLR
Generative models must ensure both privacy and fairness for Trustworthy AI. While these goals have been pursued separately, recent studies propose to combine existing privacy and fairness techniques to achieve both goals. However, naively combining these techniques can be insufficient due to privacy-fairness conflicts, where a sample in a minority group may be represented in ways that support fairness, only to be suppressed for privacy. We demonstrate how these conflicts lead to adverse effects, such as privacy violations and unexpected fairness-utility tradeoffs. To mitigate these risks, we propose PFGuard, a generative framework with privacy and fairness safeguards, which simultaneously addresses privacy, fairness, and utility. By using an ensemble of multiple teacher models, PFGuard balances privacy-fairness conflicts between fair and private training stages and achieves high utility based on ensemble learning. Extensive experiments show that PFGuard successfully generates synthetic data on high-dimensional data while providing both DP guarantees and convergence in fair generative modeling.
comment: In Proceedings of the 13th International Conference on Learning Representations (ICLR), 2025
♻ ☆ Discrete Diffusion Schrödinger Bridge Matching for Graph Transformation ICLR 2025
Transporting between arbitrary distributions is a fundamental goal in generative modeling. Recently proposed diffusion bridge models provide a potential solution, but they rely on a joint distribution that is difficult to obtain in practice. Furthermore, formulations based on continuous domains limit their applicability to discrete domains such as graphs. To overcome these limitations, we propose Discrete Diffusion Schr\"odinger Bridge Matching (DDSBM), a novel framework that utilizes continuous-time Markov chains to solve the SB problem in a high-dimensional discrete state space. Our approach extends Iterative Markovian Fitting to discrete domains, and we have proved its convergence to the SB. Furthermore, we adapt our framework for the graph transformation, and show that our design choice of underlying dynamics characterized by independent modifications of nodes and edges can be interpreted as the entropy-regularized version of optimal transport with a cost function described by the graph edit distance. To demonstrate the effectiveness of our framework, we have applied DDSBM to molecular optimization in the field of chemistry. Experimental results demonstrate that DDSBM effectively optimizes molecules' property-of-interest with minimal graph transformation, successfully retaining other features. Source code is available $\href{https://github.com/junhkim1226/DDSBM}{here}$.
comment: Accepted to ICLR 2025
♻ ☆ Deep Learning-Driven Malware Classification with API Call Sequence Analysis and Concept Drift Handling
Malware classification in dynamic environments presents a significant challenge due to concept drift, where the statistical properties of malware data evolve over time, complicating detection efforts. To address this issue, we propose a deep learning framework enhanced with a genetic algorithm to improve malware classification accuracy and adaptability. Our approach incorporates mutation operations and fitness score evaluations within genetic algorithms to continuously refine the deep learning model, ensuring robustness against evolving malware threats. Experimental results demonstrate that this hybrid method significantly enhances classification performance and adaptability, outperforming traditional static models. Our proposed approach offers a promising solution for real-time malware classification in ever-changing cybersecurity landscapes.
Artificial Intelligence 150
☆ FANformer: Improving Large Language Models Through Effective Periodicity Modeling
Periodicity, as one of the most important basic characteristics, lays the foundation for facilitating structured knowledge acquisition and systematic cognitive processes within human learning paradigms. However, the potential flaws of periodicity modeling in Transformer affect the learning efficiency and establishment of underlying principles from data for large language models (LLMs) built upon it. In this paper, we demonstrate that integrating effective periodicity modeling can improve the learning efficiency and performance of LLMs. We introduce FANformer, which integrates Fourier Analysis Network (FAN) into attention mechanism to achieve efficient periodicity modeling, by modifying the feature projection process of attention mechanism. Extensive experimental results on language modeling show that FANformer consistently outperforms Transformer when scaling up model size and training tokens, underscoring its superior learning efficiency. To further validate the effectiveness of FANformer, we pretrain a FANformer-1B on 1 trillion tokens. FANformer-1B exhibits marked improvements on downstream tasks compared to open-source LLMs with similar model parameters or training tokens. The results position FANformer as an effective and promising architecture for advancing LLMs.
☆ Clustering Context in Off-Policy Evaluation AISTATS 2025
Off-policy evaluation can leverage logged data to estimate the effectiveness of new policies in e-commerce, search engines, media streaming services, or automatic diagnostic tools in healthcare. However, the performance of baseline off-policy estimators like IPS deteriorates when the logging policy significantly differs from the evaluation policy. Recent work proposes sharing information across similar actions to mitigate this problem. In this work, we propose an alternative estimator that shares information across similar contexts using clustering. We study the theoretical properties of the proposed estimator, characterizing its bias and variance under different conditions. We also compare the performance of the proposed estimator and existing approaches in various synthetic problems, as well as a real-world recommendation dataset. Our experimental results confirm that clustering contexts improves estimation accuracy, especially in deficient information settings.
comment: 35 pages, 25 figures, 2 tables. AISTATS 2025
☆ Contextualizing biological perturbation experiments through language
High-content perturbation experiments allow scientists to probe biomolecular systems at unprecedented resolution, but experimental and analysis costs pose significant barriers to widespread adoption. Machine learning has the potential to guide efficient exploration of the perturbation space and extract novel insights from these data. However, current approaches neglect the semantic richness of the relevant biology, and their objectives are misaligned with downstream biological analyses. In this paper, we hypothesize that large language models (LLMs) present a natural medium for representing complex biological relationships and rationalizing experimental outcomes. We propose PerturbQA, a benchmark for structured reasoning over perturbation experiments. Unlike current benchmarks that primarily interrogate existing knowledge, PerturbQA is inspired by open problems in perturbation modeling: prediction of differential expression and change of direction for unseen perturbations, and gene set enrichment. We evaluate state-of-the-art machine learning and statistical approaches for modeling perturbations, as well as standard LLM reasoning strategies, and we find that current methods perform poorly on PerturbQA. As a proof of feasibility, we introduce Summer (SUMMarize, retrievE, and answeR, a simple, domain-informed LLM framework that matches or exceeds the current state-of-the-art. Our code and data are publicly available at https://github.com/genentech/PerturbQA.
comment: The Thirteenth International Conference on Learning Representations (2025)
☆ L-Lipschitz Gershgorin ResNet Network
Deep residual networks (ResNets) have demonstrated outstanding success in computer vision tasks, attributed to their ability to maintain gradient flow through deep architectures. Simultaneously, controlling the Lipschitz bound in neural networks has emerged as an essential area of research for enhancing adversarial robustness and network certifiability. This paper uses a rigorous approach to design $\mathcal{L}$-Lipschitz deep residual networks using a Linear Matrix Inequality (LMI) framework. The ResNet architecture was reformulated as a pseudo-tri-diagonal LMI with off-diagonal elements and derived closed-form constraints on network parameters to ensure $\mathcal{L}$-Lipschitz continuity. To address the lack of explicit eigenvalue computations for such matrix structures, the Gershgorin circle theorem was employed to approximate eigenvalue locations, guaranteeing the LMI's negative semi-definiteness. Our contributions include a provable parameterization methodology for constructing Lipschitz-constrained networks and a compositional framework for managing recursive systems within hierarchical architectures. These findings enable robust network designs applicable to adversarial robustness, certified training, and control systems. However, a limitation was identified in the Gershgorin-based approximations, which over-constrain the system, suppressing non-linear dynamics and diminishing the network's expressive capacity.
comment: 10 pages, 6 figures
☆ BAnG: Bidirectional Anchored Generation for Conditional RNA Design
Designing RNA molecules that interact with specific proteins is a critical challenge in experimental and computational biology. Existing computational approaches require a substantial amount of experimentally determined RNA sequences for each specific protein or a detailed knowledge of RNA structure, restricting their utility in practice. To address this limitation, we develop RNA-BAnG, a deep learning-based model designed to generate RNA sequences for protein interactions without these requirements. Central to our approach is a novel generative method, Bidirectional Anchored Generation (BAnG), which leverages the observation that protein-binding RNA sequences often contain functional binding motifs embedded within broader sequence contexts. We first validate our method on generic synthetic tasks involving similar localized motifs to those appearing in RNAs, demonstrating its benefits over existing generative approaches. We then evaluate our model on biological sequences, showing its effectiveness for conditional RNA sequence design given a binding protein.
☆ Adaptive Keyframe Sampling for Long Video Understanding CVPR2025
Multimodal large language models (MLLMs) have enabled open-world visual understanding by injecting visual input as extra tokens into large language models (LLMs) as contexts. However, when the visual input changes from a single image to a long video, the above paradigm encounters difficulty because the vast amount of video tokens has significantly exceeded the maximal capacity of MLLMs. Therefore, existing video-based MLLMs are mostly established upon sampling a small portion of tokens from input data, which can cause key information to be lost and thus produce incorrect answers. This paper presents a simple yet effective algorithm named Adaptive Keyframe Sampling (AKS). It inserts a plug-and-play module known as keyframe selection, which aims to maximize the useful information with a fixed number of video tokens. We formulate keyframe selection as an optimization involving (1) the relevance between the keyframes and the prompt, and (2) the coverage of the keyframes over the video, and present an adaptive algorithm to approximate the best solution. Experiments on two long video understanding benchmarks validate that Adaptive Keyframe Sampling improves video QA accuracy (beyond strong baselines) upon selecting informative keyframes. Our study reveals the importance of information pre-filtering in video-based MLLMs. Code is available at https://github.com/ncTimTang/AKS.
comment: CVPR2025
☆ Supporting the development of Machine Learning for fundamental science in a federated Cloud with the AI_INFN platform
Machine Learning (ML) is driving a revolution in the way scientists design, develop, and deploy data-intensive software. However, the adoption of ML presents new challenges for the computing infrastructure, particularly in terms of provisioning and orchestrating access to hardware accelerators for development, testing, and production. The INFN-funded project AI_INFN ("Artificial Intelligence at INFN") aims at fostering the adoption of ML techniques within INFN use cases by providing support on multiple aspects, including the provision of AI-tailored computing resources. It leverages cloud-native solutions in the context of INFN Cloud, to share hardware accelerators as effectively as possible, ensuring the diversity of the Institute's research activities is not compromised. In this contribution, we provide an update on the commissioning of a Kubernetes platform designed to ease the development of GPU-powered data analysis workflows and their scalability on heterogeneous, distributed computing resources, possibly federated as Virtual Kubelets with the interLink provider.
comment: Under review in EPJ Web of Conferences (CHEP 2024)
☆ ReaLJam: Real-Time Human-AI Music Jamming with Reinforcement Learning-Tuned Transformers
Recent advances in generative artificial intelligence (AI) have created models capable of high-quality musical content generation. However, little consideration is given to how to use these models for real-time or cooperative jamming musical applications because of crucial required features: low latency, the ability to communicate planned actions, and the ability to adapt to user input in real-time. To support these needs, we introduce ReaLJam, an interface and protocol for live musical jamming sessions between a human and a Transformer-based AI agent trained with reinforcement learning. We enable real-time interactions using the concept of anticipation, where the agent continually predicts how the performance will unfold and visually conveys its plan to the user. We conduct a user study where experienced musicians jam in real-time with the agent through ReaLJam. Our results demonstrate that ReaLJam enables enjoyable and musically interesting sessions, and we uncover important takeaways for future work.
comment: Published in Extended Abstracts of the CHI Conference on Human Factors in Computing Systems (CHI EA '25), April 26-May 1, 2025, Yokohama, Japan
☆ Foundation Models -- A Panacea for Artificial Intelligence in Pathology?
The role of artificial intelligence (AI) in pathology has evolved from aiding diagnostics to uncovering predictive morphological patterns in whole slide images (WSIs). Recently, foundation models (FMs) leveraging self-supervised pre-training have been widely advocated as a universal solution for diverse downstream tasks. However, open questions remain about their clinical applicability and generalization advantages over end-to-end learning using task-specific (TS) models. Here, we focused on AI with clinical-grade performance for prostate cancer diagnosis and Gleason grading. We present the largest validation of AI for this task, using over 100,000 core needle biopsies from 7,342 patients across 15 sites in 11 countries. We compared two FMs with a fully end-to-end TS model in a multiple instance learning framework. Our findings challenge assumptions that FMs universally outperform TS models. While FMs demonstrated utility in data-scarce scenarios, their performance converged with - and was in some cases surpassed by - TS models when sufficient labeled training data were available. Notably, extensive task-specific training markedly reduced clinically significant misgrading, misdiagnosis of challenging morphologies, and variability across different WSI scanners. Additionally, FMs used up to 35 times more energy than the TS model, raising concerns about their sustainability. Our results underscore that while FMs offer clear advantages for rapid prototyping and research, their role as a universal solution for clinically applicable medical AI remains uncertain. For high-stakes clinical applications, rigorous validation and consideration of task-specific training remain critically important. We advocate for integrating the strengths of FMs and end-to-end learning to achieve robust and resource-efficient AI pathology solutions fit for clinical use.
comment: 50 pages, 15 figures and an appendix (study protocol) which is previously published, see https://doi.org/10.1101/2024.07.04.24309948
☆ RuCCoD: Towards Automated ICD Coding in Russian
This study investigates the feasibility of automating clinical coding in Russian, a language with limited biomedical resources. We present a new dataset for ICD coding, which includes diagnosis fields from electronic health records (EHRs) annotated with over 10,000 entities and more than 1,500 unique ICD codes. This dataset serves as a benchmark for several state-of-the-art models, including BERT, LLaMA with LoRA, and RAG, with additional experiments examining transfer learning across domains (from PubMed abstracts to medical diagnosis) and terminologies (from UMLS concepts to ICD codes). We then apply the best-performing model to label an in-house EHR dataset containing patient histories from 2017 to 2021. Our experiments, conducted on a carefully curated test set, demonstrate that training with the automated predicted codes leads to a significant improvement in accuracy compared to manually annotated data from physicians. We believe our findings offer valuable insights into the potential for automating clinical coding in resource-limited languages like Russian, which could enhance clinical efficiency and data accuracy in these contexts.
☆ Modeling Human Beliefs about AI Behavior for Scalable Oversight
Contemporary work in AI alignment often relies on human feedback to teach AI systems human preferences and values. Yet as AI systems grow more capable, human feedback becomes increasingly unreliable. This raises the problem of scalable oversight: How can we supervise AI systems that exceed human capabilities? In this work, we propose to model the human evaluator's beliefs about the AI system's behavior to better interpret the human's feedback. We formalize human belief models and theoretically analyze their role in inferring human values. We then characterize the remaining ambiguity in this inference and conditions for which the ambiguity disappears. To mitigate reliance on exact belief models, we then introduce the relaxation of human belief model covering. Finally, we propose using foundation models to construct covering belief models, providing a new potential approach to scalable oversight.
comment: 53 pages
☆ Towards Developing Ethical Reasoners: Integrating Probabilistic Reasoning and Decision-Making for Complex AI Systems
A computational ethics framework is essential for AI and autonomous systems operating in complex, real-world environments. Existing approaches often lack the adaptability needed to integrate ethical principles into dynamic and ambiguous contexts, limiting their effectiveness across diverse scenarios. To address these challenges, we outline the necessary ingredients for building a holistic, meta-level framework that combines intermediate representations, probabilistic reasoning, and knowledge representation. The specifications therein emphasize scalability, supporting ethical reasoning at both individual decision-making levels and within the collective dynamics of multi-agent systems. By integrating theoretical principles with contextual factors, it facilitates structured and context-aware decision-making, ensuring alignment with overarching ethical standards. We further explore proposed theorems outlining how ethical reasoners should operate, offering a foundation for practical implementation. These constructs aim to support the development of robust and ethically reliable AI systems capable of navigating the complexities of real-world moral decision-making scenarios.
Transforming Tuberculosis Care: Optimizing Large Language Models For Enhanced Clinician-Patient Communication AAAI-25
Tuberculosis (TB) is the leading cause of death from an infectious disease globally, with the highest burden in low- and middle-income countries. In these regions, limited healthcare access and high patient-to-provider ratios impede effective patient support, communication, and treatment completion. To bridge this gap, we propose integrating a specialized Large Language Model into an efficacious digital adherence technology to augment interactive communication with treatment supporters. This AI-powered approach, operating within a human-in-the-loop framework, aims to enhance patient engagement and improve TB treatment outcomes.
comment: GenAI4Health at AAAI-25
☆ ByteScale: Efficient Scaling of LLM Training with a 2048K Context Length on More Than 12,000 GPUs
Scaling long-context ability is essential for Large Language Models (LLMs). To amortize the memory consumption across multiple devices in long-context training, inter-data partitioning (a.k.a. Data Parallelism) and intra-data partitioning (a.k.a. Context Parallelism) are commonly used. Current training frameworks predominantly treat the two techniques as orthogonal, and establish static communication groups to organize the devices as a static mesh (e.g., a 2D mesh). However, the sequences for LLM training typically vary in lengths, no matter for texts, multi-modalities or reinforcement learning. The mismatch between data heterogeneity and static mesh causes redundant communication and imbalanced computation, degrading the training efficiency. In this work, we introduce ByteScale, an efficient, flexible, and scalable LLM training framework for large-scale mixed training of long and short sequences. The core of ByteScale is a novel parallelism strategy, namely Hybrid Data Parallelism (HDP), which unifies the inter- and intra-data partitioning with a dynamic mesh design. In particular, we build a communication optimizer, which eliminates the redundant communication for short sequences by data-aware sharding and dynamic communication, and further compresses the communication cost for long sequences by selective offloading. Besides, we also develop a balance scheduler to mitigate the imbalanced computation by parallelism-aware data assignment. We evaluate ByteScale with the model sizes ranging from 7B to 141B, context lengths from 256K to 2048K, on a production cluster with more than 12,000 GPUs. Experiment results show that ByteScale outperforms the state-of-the-art training system by up to 7.89x.
comment: 12 pages, 21 figures
☆ ECLeKTic: a Novel Challenge Set for Evaluation of Cross-Lingual Knowledge Transfer
To achieve equitable performance across languages, multilingual large language models (LLMs) must be able to abstract knowledge beyond the language in which it was acquired. However, the current literature lacks reliable ways to measure LLMs' capability of cross-lingual knowledge transfer. To that end, we present ECLeKTic, a multilingual closed-book QA (CBQA) dataset that Evaluates Cross-Lingual Knowledge Transfer in a simple, black-box manner. We detected information with uneven coverage across languages by controlling for presence and absence of Wikipedia articles in 12 languages. We generated knowledge-seeking questions in a source language, for which the answer appears in a relevant Wikipedia article and translated them to all other 11 languages, for which the respective Wikipedias lack equivalent articles. Assuming that Wikipedia reflects the prominent knowledge in the LLM's training data, to solve ECLeKTic's CBQA task the model is required to transfer knowledge between languages. Experimenting with 8 LLMs, we show that SOTA models struggle to effectively share knowledge across, languages even if they can predict the answer well for queries in the same language the knowledge was acquired in.
☆ XAIxArts Manifesto: Explainable AI for the Arts
Explainable AI (XAI) is concerned with how to make AI models more understandable to people. To date these explanations have predominantly been technocentric - mechanistic or productivity oriented. This paper introduces the Explainable AI for the Arts (XAIxArts) manifesto to provoke new ways of thinking about explainability and AI beyond technocentric discourses. Manifestos offer a means to communicate ideas, amplify unheard voices, and foster reflection on practice. To supports the co-creation and revision of the XAIxArts manifesto we combine a World Caf\'e style discussion format with a living manifesto to question four core themes: 1) Empowerment, Inclusion, and Fairness; 2) Valuing Artistic Practice; 3) Hacking and Glitches; and 4) Openness. Through our interactive living manifesto experience we invite participants to actively engage in shaping this XIAxArts vision within the CHI community and beyond.
comment: Author version of paper in: Extended Abstracts of the CHI Conference on Human Factors in Computing Systems, April 26-May 1, 2025, Yokohama, Japan DOI 10.1145/3706599.3716227 ISBN 979-8-4007-1395-8/25/04
☆ An Algebraic Framework for Hierarchical Probabilistic Abstraction
Abstraction is essential for reducing the complexity of systems across diverse fields, yet designing effective abstraction methodology for probabilistic models is inherently challenging due to stochastic behaviors and uncertainties. Current approaches often distill detailed probabilistic data into higher-level summaries to support tractable and interpretable analyses, though they typically struggle to fully represent the relational and probabilistic hierarchies through single-layered abstractions. We introduce a hierarchical probabilistic abstraction framework aimed at addressing these challenges by extending a measure-theoretic foundation for hierarchical abstraction. The framework enables modular problem-solving via layered mappings, facilitating both detailed layer-specific analysis and a cohesive system-wide understanding. This approach bridges high-level conceptualization with low-level perceptual data, enhancing interpretability and allowing layered analysis. Our framework provides a robust foundation for abstraction analysis across AI subfields, particularly in aligning System 1 and System 2 thinking, thereby supporting the development of diverse abstraction methodologies.
Transformers Learn to Implement Multi-step Gradient Descent with Chain of Thought ICLR 2025
Chain of Thought (CoT) prompting has been shown to significantly improve the performance of large language models (LLMs), particularly in arithmetic and reasoning tasks, by instructing the model to produce intermediate reasoning steps. Despite the remarkable empirical success of CoT and its theoretical advantages in enhancing expressivity, the mechanisms underlying CoT training remain largely unexplored. In this paper, we study the training dynamics of transformers over a CoT objective on an in-context weight prediction task for linear regression. We prove that while a one-layer linear transformer without CoT can only implement a single step of gradient descent (GD) and fails to recover the ground-truth weight vector, a transformer with CoT prompting can learn to perform multi-step GD autoregressively, achieving near-exact recovery. Furthermore, we show that the trained transformer effectively generalizes on the unseen data. With our technique, we also show that looped transformers significantly improve final performance compared to transformers without looping in the in-context learning of linear regression. Empirically, we demonstrate that CoT prompting yields substantial performance improvements.
comment: ICLR 2025 Spotlight
☆ ARIES: Autonomous Reasoning with LLMs on Interactive Thought Graph Environments
Recent research has shown that LLM performance on reasoning tasks can be enhanced by scaling test-time compute. One promising approach, particularly with decomposable problems, involves arranging intermediate solutions as a graph on which transformations are performed to explore the solution space. However, prior works rely on pre-determined, task-specific transformation schedules which are subject to a set of searched hyperparameters. In this work, we view thought graph transformations as actions in a Markov decision process, and implement policy agents to drive effective action policies for the underlying reasoning LLM agent. In particular, we investigate the ability for another LLM to act as a policy agent on thought graph environments and introduce ARIES, a multi-agent architecture for reasoning with LLMs. In ARIES, reasoning LLM agents solve decomposed subproblems, while policy LLM agents maintain visibility of the thought graph states, and dynamically adapt the problem-solving strategy. Through extensive experiments, we observe that using off-the-shelf LLMs as policy agents with no supervised fine-tuning (SFT) can yield up to $29\%$ higher accuracy on HumanEval relative to static transformation schedules, as well as reducing inference costs by $35\%$ and avoid any search requirements. We also conduct a thorough analysis of observed failure modes, highlighting that limitations on LLM sizes and the depth of problem decomposition can be seen as challenges to scaling LLM-guided reasoning.
☆ The PanAf-FGBG Dataset: Understanding the Impact of Backgrounds in Wildlife Behaviour Recognition
Computer vision analysis of camera trap video footage is essential for wildlife conservation, as captured behaviours offer some of the earliest indicators of changes in population health. Recently, several high-impact animal behaviour datasets and methods have been introduced to encourage their use; however, the role of behaviour-correlated background information and its significant effect on out-of-distribution generalisation remain unexplored. In response, we present the PanAf-FGBG dataset, featuring 20 hours of wild chimpanzee behaviours, recorded at over 350 individual camera locations. Uniquely, it pairs every video with a chimpanzee (referred to as a foreground video) with a corresponding background video (with no chimpanzee) from the same camera location. We present two views of the dataset: one with overlapping camera locations and one with disjoint locations. This setup enables, for the first time, direct evaluation of in-distribution and out-of-distribution conditions, and for the impact of backgrounds on behaviour recognition models to be quantified. All clips come with rich behavioural annotations and metadata including unique camera IDs and detailed textual scene descriptions. Additionally, we establish several baselines and present a highly effective latent-space normalisation technique that boosts out-of-distribution performance by +5.42% mAP for convolutional and +3.75% mAP for transformer-based models. Finally, we provide an in-depth analysis on the role of backgrounds in out-of-distribution behaviour recognition, including the so far unexplored impact of background durations (i.e., the count of background frames within foreground videos).
comment: Accepted at the IEEE / CVF Computer Vision and Pattern Recognition Conference 2025
☆ AMPLE: Event-Driven Accelerator for Mixed-Precision Inference of Graph Neural Networks
Graph Neural Networks (GNNs) have recently gained attention due to their performance on non-Euclidean data. The use of custom hardware architectures proves particularly beneficial for GNNs due to their irregular memory access patterns, resulting from the sparse structure of graphs. However, existing FPGA accelerators are limited by their double buffering mechanism, which doesn't account for the irregular node distribution in typical graph datasets. To address this, we introduce \textbf{AMPLE} (Accelerated Message Passing Logic Engine), an FPGA accelerator leveraging a new event-driven programming flow. We develop a mixed-arithmetic architecture, enabling GNN inference to be quantized at a node-level granularity. Finally, prefetcher for data and instructions is implemented to optimize off-chip memory access and maximize node parallelism. Evaluation on citation and social media graph datasets ranging from $2$K to $700$K nodes showed a mean speedup of $243\times$ and $7.2\times$ against CPU and GPU counterparts, respectively.
☆ Scalable Decision-Making in Stochastic Environments through Learned Temporal Abstraction ICLR2025
Sequential decision-making in high-dimensional continuous action spaces, particularly in stochastic environments, faces significant computational challenges. We explore this challenge in the traditional offline RL setting, where an agent must learn how to make decisions based on data collected through a stochastic behavior policy. We present \textit{Latent Macro Action Planner} (L-MAP), which addresses this challenge by learning a set of temporally extended macro-actions through a state-conditional Vector Quantized Variational Autoencoder (VQ-VAE), effectively reducing action dimensionality. L-MAP employs a (separate) learned prior model that acts as a latent transition model and allows efficient sampling of plausible actions. During planning, our approach accounts for stochasticity in both the environment and the behavior policy by using Monte Carlo tree search (MCTS). In offline RL settings, including stochastic continuous control tasks, L-MAP efficiently searches over discrete latent actions to yield high expected returns. Empirical results demonstrate that L-MAP maintains low decision latency despite increased action dimensionality. Notably, across tasks ranging from continuous control with inherently stochastic dynamics to high-dimensional robotic hand manipulation, L-MAP significantly outperforms existing model-based methods and performs on-par with strong model-free actor-critic baselines, highlighting the effectiveness of the proposed approach in planning in complex and stochastic environments with high-dimensional action spaces.
comment: Accepted by ICLR2025. Code would be available at \href{https://github.com/BaitingLuo/L-MAP.git}{this https URL}
☆ A Survey of Link Prediction in Temporal Networks
Temporal networks have gained significant prominence in the past decade for modelling dynamic interactions within complex systems. A key challenge in this domain is Temporal Link Prediction (TLP), which aims to forecast future connections by analysing historical network structures across various applications including social network analysis. While existing surveys have addressed specific aspects of TLP, they typically lack a comprehensive framework that distinguishes between representation and inference methods. This survey bridges this gap by introducing a novel taxonomy that explicitly examines representation and inference from existing methods, providing a novel classification of approaches for TLP. We analyse how different representation techniques capture temporal and structural dynamics, examining their compatibility with various inference methods for both transductive and inductive prediction tasks. Our taxonomy not only clarifies the methodological landscape but also reveals promising unexplored combinations of existing techniques. This taxonomy provides a systematic foundation for emerging challenges in TLP, including model explainability and scalable architectures for complex temporal networks.
☆ Multimodal Dreaming: A Global Workspace Approach to World Model-Based Reinforcement Learning
Humans leverage rich internal models of the world to reason about the future, imagine counterfactuals, and adapt flexibly to new situations. In Reinforcement Learning (RL), world models aim to capture how the environment evolves in response to the agent's actions, facilitating planning and generalization. However, typical world models directly operate on the environment variables (e.g. pixels, physical attributes), which can make their training slow and cumbersome; instead, it may be advantageous to rely on high-level latent dimensions that capture relevant multimodal variables. Global Workspace (GW) Theory offers a cognitive framework for multimodal integration and information broadcasting in the brain, and recent studies have begun to introduce efficient deep learning implementations of GW. Here, we evaluate the capabilities of an RL system combining GW with a world model. We compare our GW-Dreamer with various versions of the standard PPO and the original Dreamer algorithms. We show that performing the dreaming process (i.e., mental simulation) inside the GW latent space allows for training with fewer environment steps. As an additional emergent property, the resulting model (but not its comparison baselines) displays strong robustness to the absence of one of its observation modalities (images or simulation attributes). We conclude that the combination of GW with World Models holds great potential for improving decision-making in RL agents.
comment: Under review in a conference
☆ Predicting clinical outcomes from patient care pathways represented with temporal knowledge graphs
Background: With the increasing availability of healthcare data, predictive modeling finds many applications in the biomedical domain, such as the evaluation of the level of risk for various conditions, which in turn can guide clinical decision making. However, it is unclear how knowledge graph data representations and their embedding, which are competitive in some settings, could be of interest in biomedical predictive modeling. Method: We simulated synthetic but realistic data of patients with intracranial aneurysm and experimented on the task of predicting their clinical outcome. We compared the performance of various classification approaches on tabular data versus a graph-based representation of the same data. Next, we investigated how the adopted schema for representing first individual data and second temporal data impacts predictive performances. Results: Our study illustrates that in our case, a graph representation and Graph Convolutional Network (GCN) embeddings reach the best performance for a predictive task from observational data. We emphasize the importance of the adopted schema and of the consideration of literal values in the representation of individual data. Our study also moderates the relative impact of various time encoding on GCN performance.
☆ Dynamically Local-Enhancement Planner for Large-Scale Autonomous Driving
Current autonomous vehicles operate primarily within limited regions, but there is increasing demand for broader applications. However, as models scale, their limited capacity becomes a significant challenge for adapting to novel scenarios. It is increasingly difficult to improve models for new situations using a single monolithic model. To address this issue, we introduce the concept of dynamically enhancing a basic driving planner with local driving data, without permanently modifying the planner itself. This approach, termed the Dynamically Local-Enhancement (DLE) Planner, aims to improve the scalability of autonomous driving systems without significantly expanding the planner's size. Our approach introduces a position-varying Markov Decision Process formulation coupled with a graph neural network that extracts region-specific driving features from local observation data. The learned features describe the local behavior of the surrounding objects, which is then leveraged to enhance a basic reinforcement learning-based policy. We evaluated our approach in multiple scenarios and compared it with a one-for-all driving model. The results show that our method outperforms the baseline policy in both safety (collision rate) and average reward, while maintaining a lighter scale. This approach has the potential to benefit large-scale autonomous vehicles without the need for largely expanding on-device driving models.
☆ Einleitung [Introduction]
Hilary Putnam's biography and philosophical development reflect the history of Anglo-Saxon philosophy over the last 40 years. Putnam has influenced this history significantly for almost as long. In this introduction, the main aim is to present the context in which Putnam stands and from which his philosophical contributions can be understood. In the context of a sketch of Putnam's philosophical development, a preliminary historical classification of his work will also be attempted, even if this is not the place for a comprehensive critique or presentation: The introduction must remain at a fairly elementary level and of course cannot replace a reading of the texts. Since Putnam's work is certainly part of a rapprochement between 'analytic' and 'continental' philosophy, the introduction to the texts translated here should finally make clear what Putnam has to offer non-analytically oriented readers. Hilary Putnams Biographie und philosophische Entwicklung spiegeln die Geschichte der angels\"achsischen Philosophie in den letzten 40 Jahren. Beinahe ebenso lange hat Putnam diese Geschichte wesentlich beeinflu{\ss}t. In der vorliegenden Einleitung soll vor allem der Kontext dargestellt werden, in dem Putnam steht und aus dem heraus verst\"andlich wird, was er philosophisch zu sagen hat. Im Rahmen einer Skizze von Putnams philosophischer Entwicklung soll zudem eine vorl\"aufige philosophiehistorische Einordnung versucht werden, auch wenn hier nicht der Ort f\"ur eine umfassende Kritik oder Darstellung sein kann: Die Einleitung mu{\ss} auf recht elementarem Niveau bleiben und kann eine Lekt\"ure der Texte nat\"urlich nicht ersetzen. Da Putnams Werk sicherlich Teil einer Ann\"aherung von 'analytischer' und 'kontinentaler' Philosophie ist, soll bei der Einf\"uhrung in die hier \"ubersetzten Texte schlie{\ss}lich deutlich werden, was Putnam nicht analytisch orientierten Lesern zu bieten hat.
comment: in German language
☆ Causality Is Key to Understand and Balance Multiple Goals in Trustworthy ML and Foundation Models
Ensuring trustworthiness in machine learning (ML) systems is crucial as they become increasingly embedded in high-stakes domains. This paper advocates for the integration of causal methods into machine learning to navigate the trade-offs among key principles of trustworthy ML, including fairness, privacy, robustness, accuracy, and explainability. While these objectives should ideally be satisfied simultaneously, they are often addressed in isolation, leading to conflicts and suboptimal solutions. Drawing on existing applications of causality in ML that successfully align goals such as fairness and accuracy or privacy and robustness, this paper argues that a causal approach is essential for balancing multiple competing objectives in both trustworthy ML and foundation models. Beyond highlighting these trade-offs, we examine how causality can be practically integrated into ML and foundation models, offering solutions to enhance their reliability and interpretability. Finally, we discuss the challenges, limitations, and opportunities in adopting causal frameworks, paving the way for more accountable and ethically sound AI systems.
☆ Optimizing Large Language Models for ESG Activity Detection in Financial Texts
The integration of Environmental, Social, and Governance (ESG) factors into corporate decision-making is a fundamental aspect of sustainable finance. However, ensuring that business practices align with evolving regulatory frameworks remains a persistent challenge. AI-driven solutions for automatically assessing the alignment of sustainability reports and non-financial disclosures with specific ESG activities could greatly support this process. Yet, this task remains complex due to the limitations of general-purpose Large Language Models (LLMs) in domain-specific contexts and the scarcity of structured, high-quality datasets. In this paper, we investigate the ability of current-generation LLMs to identify text related to environmental activities. Furthermore, we demonstrate that their performance can be significantly enhanced through fine-tuning on a combination of original and synthetically generated data. To this end, we introduce ESG-Activities, a benchmark dataset containing 1,325 labelled text segments classified according to the EU ESG taxonomy. Our experimental results show that fine-tuning on ESG-Activities significantly enhances classification accuracy, with open models such as Llama 7B and Gemma 7B outperforming large proprietary solutions in specific configurations. These findings have important implications for financial analysts, policymakers, and AI researchers seeking to enhance ESG transparency and compliance through advanced natural language processing techniques.
☆ AuthSim: Towards Authentic and Effective Safety-critical Scenario Generation for Autonomous Driving Tests
Generating adversarial safety-critical scenarios is a pivotal method for testing autonomous driving systems, as it identifies potential weaknesses and enhances system robustness and reliability. However, existing approaches predominantly emphasize unrestricted collision scenarios, prompting non-player character (NPC) vehicles to attack the ego vehicle indiscriminately. These works overlook these scenarios' authenticity, rationality, and relevance, resulting in numerous extreme, contrived, and largely unrealistic collision events involving aggressive NPC vehicles. To rectify this issue, we propose a three-layer relative safety region model, which partitions the area based on danger levels and increases the likelihood of NPC vehicles entering relative boundary regions. This model directs NPC vehicles to engage in adversarial actions within relatively safe boundary regions, thereby augmenting the scenarios' authenticity. We introduce AuthSim, a comprehensive platform for generating authentic and effective safety-critical scenarios by integrating the three-layer relative safety region model with reinforcement learning. To our knowledge, this is the first attempt to address the authenticity and effectiveness of autonomous driving system test scenarios comprehensively. Extensive experiments demonstrate that AuthSim outperforms existing methods in generating effective safety-critical scenarios. Notably, AuthSim achieves a 5.25% improvement in average cut-in distance and a 27.12% enhancement in average collision interval time, while maintaining higher efficiency in generating effective safety-critical scenarios compared to existing methods. This underscores its significant advantage in producing authentic scenarios over current methodologies.
☆ Re-evaluating Theory of Mind evaluation in large language models
The question of whether large language models (LLMs) possess Theory of Mind (ToM) -- often defined as the ability to reason about others' mental states -- has sparked significant scientific and public interest. However, the evidence as to whether LLMs possess ToM is mixed, and the recent growth in evaluations has not resulted in a convergence. Here, we take inspiration from cognitive science to re-evaluate the state of ToM evaluation in LLMs. We argue that a major reason for the disagreement on whether LLMs have ToM is a lack of clarity on whether models should be expected to match human behaviors, or the computations underlying those behaviors. We also highlight ways in which current evaluations may be deviating from "pure" measurements of ToM abilities, which also contributes to the confusion. We conclude by discussing several directions for future research, including the relationship between ToM and pragmatic communication, which could advance our understanding of artificial systems as well as human cognition.
comment: under review
☆ An LLM-based Delphi Study to Predict GenAI Evolution
Predicting the future trajectory of complex and rapidly evolving systems remains a significant challenge, particularly in domains where data is scarce or unreliable. This study introduces a novel approach to qualitative forecasting by leveraging Large Language Models to conduct Delphi studies. The methodology was applied to explore the future evolution of Generative Artificial Intelligence, revealing insights into key factors such as geopolitical tensions, economic disparities, regulatory frameworks, and ethical considerations. The results highlight how LLM-based Delphi studies can facilitate structured scenario analysis, capturing diverse perspectives while mitigating issues such as respondent fatigue. However, limitations emerge in terms of knowledge cutoffs, inherent biases, and sensitivity to initial conditions. While the approach provides an innovative means for structured foresight, this method could be also considered as a novel form of reasoning. further research is needed to refine its ability to manage heterogeneity, improve reliability, and integrate external data sources.
☆ PASemiQA: Plan-Assisted Agent for Question Answering on Semi-Structured Data with Text and Relational Information
Large language models (LLMs) have shown impressive abilities in answering questions across various domains, but they often encounter hallucination issues on questions that require professional and up-to-date knowledge. To address this limitation, retrieval-augmented generation (RAG) techniques have been proposed, which retrieve relevant information from external sources to inform their responses. However, existing RAG methods typically focus on a single type of external data, such as vectorized text database or knowledge graphs, and cannot well handle real-world questions on semi-structured data containing both text and relational information. To bridge this gap, we introduce PASemiQA, a novel approach that jointly leverages text and relational information in semi-structured data to answer questions. PASemiQA first generates a plan to identify relevant text and relational information to answer the question in semi-structured data, and then uses an LLM agent to traverse the semi-structured data and extract necessary information. Our empirical results demonstrate the effectiveness of PASemiQA across different semi-structured datasets from various domains, showcasing its potential to improve the accuracy and reliability of question answering systems on semi-structured data.
☆ Are foundation models useful feature extractors for electroencephalography analysis?
The success of foundation models in natural language processing and computer vision has motivated similar approaches for general time series analysis. While these models are effective for a variety of tasks, their applicability in medical domains with limited data remains largely unexplored. To address this, we investigate the effectiveness of foundation models in medical time series analysis involving electroencephalography (EEG). Through extensive experiments on tasks such as age prediction, seizure detection, and the classification of clinically relevant EEG events, we compare their diagnostic accuracy with that of specialised EEG models. Our analysis shows that foundation models extract meaningful EEG features, outperform specialised models even without domain adaptation, and localise task-specific biomarkers. Moreover, we demonstrate that diagnostic accuracy is substantially influenced by architectural choices such as context length. Overall, our study reveals that foundation models with general time series understanding eliminate the dependency on large domain-specific datasets, making them valuable tools for clinical practice.
☆ Enhancing deep neural networks through complex-valued representations and Kuramoto synchronization dynamics
Neural synchrony is hypothesized to play a crucial role in how the brain organizes visual scenes into structured representations, enabling the robust encoding of multiple objects within a scene. However, current deep learning models often struggle with object binding, limiting their ability to represent multiple objects effectively. Inspired by neuroscience, we investigate whether synchrony-based mechanisms can enhance object encoding in artificial models trained for visual categorization. Specifically, we combine complex-valued representations with Kuramoto dynamics to promote phase alignment, facilitating the grouping of features belonging to the same object. We evaluate two architectures employing synchrony: a feedforward model and a recurrent model with feedback connections to refine phase synchronization using top-down information. Both models outperform their real-valued counterparts and complex-valued models without Kuramoto synchronization on tasks involving multi-object images, such as overlapping handwritten digits, noisy inputs, and out-of-distribution transformations. Our findings highlight the potential of synchrony-driven mechanisms to enhance deep learning models, improving their performance, robustness, and generalization in complex visual categorization tasks.
☆ FC-Attack: Jailbreaking Large Vision-Language Models via Auto-Generated Flowcharts
Large Vision-Language Models (LVLMs) have become powerful and widely adopted in some practical applications. However, recent research has revealed their vulnerability to multimodal jailbreak attacks, whereby the model can be induced to generate harmful content, leading to safety risks. Although most LVLMs have undergone safety alignment, recent research shows that the visual modality is still vulnerable to jailbreak attacks. In our work, we discover that by using flowcharts with partially harmful information, LVLMs can be induced to provide additional harmful details. Based on this, we propose a jailbreak attack method based on auto-generated flowcharts, FC-Attack. Specifically, FC-Attack first fine-tunes a pre-trained LLM to create a step-description generator based on benign datasets. The generator is then used to produce step descriptions corresponding to a harmful query, which are transformed into flowcharts in 3 different shapes (vertical, horizontal, and S-shaped) as visual prompts. These flowcharts are then combined with a benign textual prompt to execute a jailbreak attack on LVLMs. Our evaluations using the Advbench dataset show that FC-Attack achieves over 90% attack success rates on Gemini-1.5, Llaval-Next, Qwen2-VL, and InternVL-2.5 models, outperforming existing LVLM jailbreak methods. Additionally, we investigate factors affecting the attack performance, including the number of steps and the font styles in the flowcharts. Our evaluation shows that FC-Attack can improve the jailbreak performance from 4% to 28% in Claude-3.5 by changing the font style. To mitigate the attack, we explore several defenses and find that AdaShield can largely reduce the jailbreak performance but with the cost of utility drop.
comment: 13 pages, 6 figures
☆ Robust Deterministic Policy Gradient for Disturbance Attenuation and Its Application to Quadrotor Control
Practical control systems pose significant challenges in identifying optimal control policies due to uncertainties in the system model and external disturbances. While $H_\infty$ control techniques are commonly used to design robust controllers that mitigate the effects of disturbances, these methods often require complex and computationally intensive calculations. To address this issue, this paper proposes a reinforcement learning algorithm called Robust Deterministic Policy Gradient (RDPG), which formulates the $H_\infty$ control problem as a two-player zero-sum dynamic game. In this formulation, one player (the user) aims to minimize the cost, while the other player (the adversary) seeks to maximize it. We then employ deterministic policy gradient (DPG) and its deep reinforcement learning counterpart to train a robust control policy with effective disturbance attenuation. In particular, for practical implementation, we introduce an algorithm called robust deep deterministic policy gradient (RDDPG), which employs a deep neural network architecture and integrates techniques from the twin-delayed deep deterministic policy gradient (TD3) to enhance stability and learning efficiency. To evaluate the proposed algorithm, we implement it on an unmanned aerial vehicle (UAV) tasked with following a predefined path in a disturbance-prone environment. The experimental results demonstrate that the proposed method outperforms other control approaches in terms of robustness against disturbances, enabling precise real-time tracking of moving targets even under severe disturbance conditions.
☆ Synthesizing Individualized Aging Brains in Health and Disease with Generative Models and Parallel Transport
Simulating prospective magnetic resonance imaging (MRI) scans from a given individual brain image is challenging, as it requires accounting for canonical changes in aging and/or disease progression while also considering the individual brain's current status and unique characteristics. While current deep generative models can produce high-resolution anatomically accurate templates for population-wide studies, their ability to predict future aging trajectories for individuals remains limited, particularly in capturing subject-specific neuroanatomical variations over time. In this study, we introduce Individualized Brain Synthesis (InBrainSyn), a framework for synthesizing high-resolution subject-specific longitudinal MRI scans that simulate neurodegeneration in both Alzheimer's disease (AD) and normal aging. InBrainSyn uses a parallel transport algorithm to adapt the population-level aging trajectories learned by a generative deep template network, enabling individualized aging synthesis. As InBrainSyn uses diffeomorphic transformations to simulate aging, the synthesized images are topologically consistent with the original anatomy by design. We evaluated InBrainSyn both quantitatively and qualitatively on AD and healthy control cohorts from the Open Access Series of Imaging Studies - version 3 dataset. Experimentally, InBrainSyn can also model neuroanatomical transitions between normal aging and AD. An evaluation of an external set supports its generalizability. Overall, with only a single baseline scan, InBrainSyn synthesizes realistic 3D spatiotemporal T1w MRI scans, producing personalized longitudinal aging trajectories. The code for InBrainSyn is available at: https://github.com/Fjr9516/InBrainSyn.
comment: 20 pages, 9 figures, 6 tables, diffeomorphic registration, parallel transport, brain aging, medical image generation, Alzheimer's disease
☆ Fast Adversarial Training against Sparse Attacks Requires Loss Smoothing
This paper studies fast adversarial training against sparse adversarial perturbations bounded by $l_0$ norm. We demonstrate the challenges of employing $1$-step attacks on $l_0$ bounded perturbations for fast adversarial training, including degraded performance and the occurrence of catastrophic overfitting (CO). We highlight that CO in $l_0$ adversarial training is caused by sub-optimal perturbation locations of $1$-step attack. Theoretical and empirical analyses reveal that the loss landscape of $l_0$ adversarial training is more craggy compared to its $l_\infty$, $l_2$ and $l_1$ counterparts. Moreover, we corroborate that the craggy loss landscape can aggravate CO. To address these issues, we propose Fast-LS-$l_0$ that incorporates soft labels and the trade-off loss function to smooth the adversarial loss landscape. Extensive experiments demonstrate our method can overcome the challenge of catastrophic overfitting, achieve state-of-the-art performance, and narrow down the performance gap between $1$-step and multi-step adversarial training against sparse attacks.
☆ Reward Learning from Multiple Feedback Types ICLR 2025
Learning rewards from preference feedback has become an important tool in the alignment of agentic models. Preference-based feedback, often implemented as a binary comparison between multiple completions, is an established method to acquire large-scale human feedback. However, human feedback in other contexts is often much more diverse. Such diverse feedback can better support the goals of a human annotator, and the simultaneous use of multiple sources might be mutually informative for the learning process or carry type-dependent biases for the reward learning process. Despite these potential benefits, learning from different feedback types has yet to be explored extensively. In this paper, we bridge this gap by enabling experimentation and evaluating multi-type feedback in a broad set of environments. We present a process to generate high-quality simulated feedback of six different types. Then, we implement reward models and downstream RL training for all six feedback types. Based on the simulated feedback, we investigate the use of types of feedback across ten RL environments and compare them to pure preference-based baselines. We show empirically that diverse types of feedback can be utilized and lead to strong reward modeling performance. This work is the first strong indicator of the potential of multi-type feedback for RLHF.
comment: Published as a conference paper at ICLR 2025
☆ Synthesizing Tabular Data Using Selectivity Enhanced Generative Adversarial Networks
As E-commerce platforms face surging transactions during major shopping events like Black Friday, stress testing with synthesized data is crucial for resource planning. Most recent studies use Generative Adversarial Networks (GANs) to generate tabular data while ensuring privacy and machine learning utility. However, these methods overlook the computational demands of processing GAN-generated data, making them unsuitable for E-commerce stress testing. This thesis introduces a novel GAN-based approach incorporating query selectivity constraints, a key factor in database transaction processing. We integrate a pre-trained deep neural network to maintain selectivity consistency between real and synthetic data. Our method, tested on five real-world datasets, outperforms three state-of-the-art GANs and a VAE model, improving selectivity estimation accuracy by up to 20pct and machine learning utility by up to 6 pct.
comment: This thesis submitted to the University of Melbourne for partial fulfillment of the degree of Master of Data Science
☆ Beyond Words: A Latent Memory Approach to Internal Reasoning in LLMs
Recent advances in large language models (LLMs) have popularized the chain-of-thought (CoT) paradigm, in which models produce explicit reasoning steps in natural language. Although this approach improves interpretability and facilitates external auditing, it may not represent the most computationally efficient method for internal reasoning. In contrast, human cognition relies on implicit mental representations that recall past sensory and episodic information without requiring complete verbalization. In this paper, we propose a framework that integrates implicit mental representations into the internal reasoning processes of LLMs. Preliminary experiments indicate that incorporating an Implicit Memory Module (IMM) into a simple GPT model yields a reduction of between 35% and 57% in final training loss compared to a regular GPT baseline. The addition of an explicit interpretability channel (e.g., a chain-of-thought decoder) is straightforward to implement within this approach. We outline theoretical foundations, propose technical mechanisms to scale the memory module, and discuss how these ideas may lead to more efficient and robust reasoning, with optional future extensions for explicit auditability.
comment: 13 pages, 5 figures
☆ Measuring and identifying factors of individuals' trust in Large Language Models
Large Language Models (LLMs) can engage in human-looking conversational exchanges. Although conversations can elicit trust between users and LLMs, scarce empirical research has examined trust formation in human-LLM contexts, beyond LLMs' trustworthiness or human trust in AI in general. Here, we introduce the Trust-In-LLMs Index (TILLMI) as a new framework to measure individuals' trust in LLMs, extending McAllister's cognitive and affective trust dimensions to LLM-human interactions. We developed TILLMI as a psychometric scale, prototyped with a novel protocol we called LLM-simulated validity. The LLM-based scale was then validated in a sample of 1,000 US respondents. Exploratory Factor Analysis identified a two-factor structure. Two items were then removed due to redundancy, yielding a final 6-item scale with a 2-factor structure. Confirmatory Factor Analysis on a separate subsample showed strong model fit ($CFI = .995$, $TLI = .991$, $RMSEA = .046$, $p_{X^2} > .05$). Convergent validity analysis revealed that trust in LLMs correlated positively with openness to experience, extraversion, and cognitive flexibility, but negatively with neuroticism. Based on these findings, we interpreted TILLMI's factors as "closeness with LLMs" (affective dimension) and "reliance on LLMs" (cognitive dimension). Younger males exhibited higher closeness with- and reliance on LLMs compared to older women. Individuals with no direct experience with LLMs exhibited lower levels of trust compared to LLMs' users. These findings offer a novel empirical foundation for measuring trust in AI-driven verbal communication, informing responsible design, and fostering balanced human-AI collaboration.
comment: 24 pages, 6 figures
☆ Merging Clinical Knowledge into Large Language Models for Medical Research and Applications: A Survey
Clinical knowledge is the collection of information learned from studies on the causes, prognosis, diagnosis, and treatment of diseases. This type of knowledge can improve curing performances, and promote physical health. With the emergence of large language models (LLMs), medical artificial intelligence (medical AI), which aims to apply academic medical AI systems to real-world medical scenarios, has entered a new age of development, resulting in excellent works such as DoctorGPT and Pangu-Drug from academic and industrial researches. However, the field lacks a comprehensive compendium and comparison of building medical AI systems from academia and industry. Therefore, this survey focuses on the building paradigms of medical AI systems including the use of clinical databases, datasets, training pipelines, integrating medical knowledge graphs, system applications, and evaluation systems. We hope that this survey can help relevant practical researchers understand the current performance of academic models in various fields of healthcare, as well as the potential problems and future directions for implementing these scientific achievements.
☆ LesionLocator: Zero-Shot Universal Tumor Segmentation and Tracking in 3D Whole-Body Imaging CVPR 2025
In this work, we present LesionLocator, a framework for zero-shot longitudinal lesion tracking and segmentation in 3D medical imaging, establishing the first end-to-end model capable of 4D tracking with dense spatial prompts. Our model leverages an extensive dataset of 23,262 annotated medical scans, as well as synthesized longitudinal data across diverse lesion types. The diversity and scale of our dataset significantly enhances model generalizability to real-world medical imaging challenges and addresses key limitations in longitudinal data availability. LesionLocator outperforms all existing promptable models in lesion segmentation by nearly 10 dice points, reaching human-level performance, and achieves state-of-the-art results in lesion tracking, with superior lesion retrieval and segmentation accuracy. LesionLocator not only sets a new benchmark in universal promptable lesion segmentation and automated longitudinal lesion tracking but also provides the first open-access solution of its kind, releasing our synthetic 4D dataset and model to the community, empowering future advancements in medical imaging. Code is available at: www.github.com/MIC-DKFZ/LesionLocator
comment: Accepted at CVPR 2025
☆ UoR-NCL at SemEval-2025 Task 1: Using Generative LLMs and CLIP Models for Multilingual Multimodal Idiomaticity Representation
SemEval-2025 Task 1 focuses on ranking images based on their alignment with a given nominal compound that may carry idiomatic meaning in both English and Brazilian Portuguese. To address this challenge, this work uses generative large language models (LLMs) and multilingual CLIP models to enhance idiomatic compound representations. LLMs generate idiomatic meanings for potentially idiomatic compounds, enriching their semantic interpretation. These meanings are then encoded using multilingual CLIP models, serving as representations for image ranking. Contrastive learning and data augmentation techniques are applied to fine-tune these embeddings for improved performance. Experimental results show that multimodal representations extracted through this method outperformed those based solely on the original nominal compounds. The fine-tuning approach shows promising outcomes but is less effective than using embeddings without fine-tuning. The source code used in this paper is available at https://github.com/tongwu17/SemEval-2025-Task1-UoR-NCL.
☆ Improving Open-world Continual Learning under the Constraints of Scarce Labeled Data
Open-world continual learning (OWCL) adapts to sequential tasks with open samples, learning knowledge incrementally while preventing forgetting. However, existing OWCL still requires a large amount of labeled data for training, which is often impractical in real-world applications. Given that new categories/entities typically come with limited annotations and are in small quantities, a more realistic situation is OWCL with scarce labeled data, i.e., few-shot training samples. Hence, this paper investigates the problem of open-world few-shot continual learning (OFCL), challenging in (i) learning unbounded tasks without forgetting previous knowledge and avoiding overfitting, (ii) constructing compact decision boundaries for open detection with limited labeled data, and (iii) transferring knowledge about knowns and unknowns and even update the unknowns to knowns once the labels of open samples are learned. In response, we propose a novel OFCL framework that integrates three key components: (1) an instance-wise token augmentation (ITA) that represents and enriches sample representations with additional knowledge, (2) a margin-based open boundary (MOB) that supports open detection with new tasks emerge over time, and (3) an adaptive knowledge space (AKS) that endows unknowns with knowledge for the updating from unknowns to knowns. Finally, extensive experiments show the proposed OFCL framework outperforms all baselines remarkably with practical importance and reproducibility. The source code is released at https://github.com/liyj1201/OFCL.
☆ Fine-Grained Retrieval-Augmented Generation for Visual Question Answering
Visual Question Answering (VQA) focuses on providing answers to natural language questions by utilizing information from images. Although cutting-edge multimodal large language models (MLLMs) such as GPT-4o achieve strong performance on VQA tasks, they frequently fall short in accessing domain-specific or the latest knowledge. To mitigate this issue, retrieval-augmented generation (RAG) leveraging external knowledge bases (KBs), referred to as KB-VQA, emerges as a promising approach. Nevertheless, conventional unimodal retrieval techniques, which translate images into textual descriptions, often result in the loss of critical visual details. This study presents fine-grained knowledge units, which merge textual snippets with entity images stored in vector databases. Furthermore, we introduce a knowledge unit retrieval-augmented generation framework (KU-RAG) that integrates fine-grained retrieval with MLLMs. The proposed KU-RAG framework ensures precise retrieval of relevant knowledge and enhances reasoning capabilities through a knowledge correction chain. Experimental findings demonstrate that our approach significantly boosts the performance of leading KB-VQA methods, achieving improvements of up to 10%.
☆ Retrieval Augmented Generation for Topic Modeling in Organizational Research: An Introduction with Empirical Demonstration
Analyzing textual data is the cornerstone of qualitative research. While traditional methods such as grounded theory and content analysis are widely used, they are labor-intensive and time-consuming. Topic modeling offers an automated complement. Yet, existing approaches, including LLM-based topic modeling, still struggle with issues such as high data preprocessing requirements, interpretability, and reliability. This paper introduces Agentic Retrieval-Augmented Generation (Agentic RAG) as a method for topic modeling with LLMs. It integrates three key components: (1) retrieval, enabling automatized access to external data beyond an LLM's pre-trained knowledge; (2) generation, leveraging LLM capabilities for text synthesis; and (3) agent-driven learning, iteratively refining retrieval and query formulation processes. To empirically validate Agentic RAG for topic modeling, we reanalyze a Twitter/X dataset, previously examined by Mu et al. (2024a). Our findings demonstrate that the approach is more efficient, interpretable and at the same time achieves higher reliability and validity in comparison to the standard machine learning approach but also in comparison to LLM prompting for topic modeling. These results highlight Agentic RAG's ability to generate semantically relevant and reproducible topics, positioning it as a robust, scalable, and transparent alternative for AI-driven qualitative research in leadership, managerial, and organizational research.
comment: 30 pages, 4 figures
☆ Concealed Adversarial attacks on neural networks for sequential data
The emergence of deep learning led to the broad usage of neural networks in the time series domain for various applications, including finance and medicine. While powerful, these models are prone to adversarial attacks: a benign targeted perturbation of input data leads to significant changes in a classifier's output. However, formally small attacks in the time series domain become easily detected by the human eye or a simple detector model. We develop a concealed adversarial attack for different time-series models: it provides more realistic perturbations, being hard to detect by a human or model discriminator. To achieve this goal, the proposed adversarial attack maximizes an aggregation of a classifier and a trained discriminator loss. To make the attack stronger, we also propose a training procedure for a discriminator that provides broader coverage of possible attacks. Extensive benchmarking on six UCR time series datasets across four diverse architectures - including recurrent, convolutional, state-space, and transformer-based models - demonstrates the superiority of our attack for a concealability-efficiency trade-off. Our findings highlight the growing challenge of designing robust time series models, emphasizing the need for improved defenses against realistic and effective attacks.
☆ Generative Uncertainty in Diffusion Models
Diffusion models have recently driven significant breakthroughs in generative modeling. While state-of-the-art models produce high-quality samples on average, individual samples can still be low quality. Detecting such samples without human inspection remains a challenging task. To address this, we propose a Bayesian framework for estimating generative uncertainty of synthetic samples. We outline how to make Bayesian inference practical for large, modern generative models and introduce a new semantic likelihood (evaluated in the latent space of a feature extractor) to address the challenges posed by high-dimensional sample spaces. Through our experiments, we demonstrate that the proposed generative uncertainty effectively identifies poor-quality samples and significantly outperforms existing uncertainty-based methods. Notably, our Bayesian framework can be applied post-hoc to any pretrained diffusion or flow matching model (via the Laplace approximation), and we propose simple yet effective techniques to minimize its computational overhead during sampling.
☆ A Deep User Interface for Exploring LLaMa
The growing popularity and widespread adoption of large language models (LLMs) necessitates the development of tools that enhance the effectiveness of user interactions with these models. Understanding the structures and functions of these models poses a significant challenge for users. Visual analytics-driven tools enables users to explore and compare, facilitating better decision-making. This paper presents a visual analytics-driven tool equipped with interactive controls for key hyperparameters, including top-p, frequency and presence penalty, enabling users to explore, examine and compare the outputs of LLMs. In a user study, we assessed the tool's effectiveness, which received favorable feedback for its visual design, with particular commendation for the interface layout and ease of navigation. Additionally, the feedback provided valuable insights for enhancing the effectiveness of Human-LLM interaction tools.
☆ WebFAQ: A Multilingual Collection of Natural Q&A Datasets for Dense Retrieval
We present WebFAQ, a large-scale collection of open-domain question answering datasets derived from FAQ-style schema.org annotations. In total, the data collection consists of 96 million natural question-answer (QA) pairs across 75 languages, including 47 million (49%) non-English samples. WebFAQ further serves as the foundation for 20 monolingual retrieval benchmarks with a total size of 11.2 million QA pairs (5.9 million non-English). These datasets are carefully curated through refined filtering and near-duplicate detection, yielding high-quality resources for training and evaluating multilingual dense retrieval models. To empirically confirm WebFAQ's efficacy, we use the collected QAs to fine-tune an in-domain pretrained XLM-RoBERTa model. Through this process of dataset-specific fine-tuning, the model achieves significant retrieval performance gains, which generalize - beyond WebFAQ - to other multilingual retrieval benchmarks evaluated in zero-shot setting. Last but not least, we utilize WebFAQ to construct a set of QA-aligned bilingual corpora spanning over 1000 language pairs using state-of-the-art bitext mining and automated LLM-assessed translation evaluation. Due to our advanced, automated method of bitext dataset generation, the resulting bilingual corpora demonstrate higher translation quality compared to similar datasets. WebFAQ and all associated resources are publicly available on GitHub and HuggingFace.
comment: 10 pages, 3 figures, 7 tables
☆ Less is More? Revisiting the Importance of Frame Rate in Real-Time Zero-Shot Surgical Video Segmentation
Real-time video segmentation is a promising feature for AI-assisted surgery, providing intraoperative guidance by identifying surgical tools and anatomical structures. However, deploying state-of-the-art segmentation models, such as SAM2, in real-time settings is computationally demanding, which makes it essential to balance frame rate and segmentation performance. In this study, we investigate the impact of frame rate on zero-shot surgical video segmentation, evaluating SAM2's effectiveness across multiple frame sampling rates for cholecystectomy procedures. Surprisingly, our findings indicate that in conventional evaluation settings, frame rates as low as a single frame per second can outperform 25 FPS, as fewer frames smooth out segmentation inconsistencies. However, when assessed in a real-time streaming scenario, higher frame rates yield superior temporal coherence and stability, particularly for dynamic objects such as surgical graspers. Finally, we investigate human perception of real-time surgical video segmentation among professionals who work closely with such data and find that respondents consistently prefer high FPS segmentation mask overlays, reinforcing the importance of real-time evaluation in AI-assisted surgery.
☆ Everything, Everywhere, All at Once: Is Mechanistic Interpretability Identifiable?
As AI systems are used in high-stakes applications, ensuring interpretability is crucial. Mechanistic Interpretability (MI) aims to reverse-engineer neural networks by extracting human-understandable algorithms to explain their behavior. This work examines a key question: for a given behavior, and under MI's criteria, does a unique explanation exist? Drawing on identifiability in statistics, where parameters are uniquely inferred under specific assumptions, we explore the identifiability of MI explanations. We identify two main MI strategies: (1) "where-then-what," which isolates a circuit replicating model behavior before interpreting it, and (2) "what-then-where," which starts with candidate algorithms and searches for neural activation subspaces implementing them, using causal alignment. We test both strategies on Boolean functions and small multi-layer perceptrons, fully enumerating candidate explanations. Our experiments reveal systematic non-identifiability: multiple circuits can replicate behavior, a circuit can have multiple interpretations, several algorithms can align with the network, and one algorithm can align with different subspaces. Is uniqueness necessary? A pragmatic approach may require only predictive and manipulability standards. If uniqueness is essential for understanding, stricter criteria may be needed. We also reference the inner interpretability framework, which validates explanations through multiple criteria. This work contributes to defining explanation standards in AI.
☆ DexGraspVLA: A Vision-Language-Action Framework Towards General Dexterous Grasping
Dexterous grasping remains a fundamental yet challenging problem in robotics. A general-purpose robot must be capable of grasping diverse objects in arbitrary scenarios. However, existing research typically relies on specific assumptions, such as single-object settings or limited environments, leading to constrained generalization. Our solution is DexGraspVLA, a hierarchical framework that utilizes a pre-trained Vision-Language model as the high-level task planner and learns a diffusion-based policy as the low-level Action controller. The key insight lies in iteratively transforming diverse language and visual inputs into domain-invariant representations, where imitation learning can be effectively applied due to the alleviation of domain shift. Thus, it enables robust generalization across a wide range of real-world scenarios. Notably, our method achieves a 90+% success rate under thousands of unseen object, lighting, and background combinations in a ``zero-shot'' environment. Empirical analysis further confirms the consistency of internal model behavior across environmental variations, thereby validating our design and explaining its generalization performance. We hope our work can be a step forward in achieving general dexterous grasping. Our demo and code can be found at https://dexgraspvla.github.io/.
comment: 22 pages, 10 figures
☆ A Fused Gromov-Wasserstein Approach to Subgraph Contrastive Learning
Self-supervised learning has become a key method for training deep learning models when labeled data is scarce or unavailable. While graph machine learning holds great promise across various domains, the design of effective pretext tasks for self-supervised graph representation learning remains challenging. Contrastive learning, a popular approach in graph self-supervised learning, leverages positive and negative pairs to compute a contrastive loss function. However, current graph contrastive learning methods often struggle to fully use structural patterns and node similarities. To address these issues, we present a new method called Fused Gromov Wasserstein Subgraph Contrastive Learning (FOSSIL). Our model integrates node-level and subgraph-level contrastive learning, seamlessly combining a standard node-level contrastive loss with the Fused Gromov-Wasserstein distance. This combination helps our method capture both node features and graph structure together. Importantly, our approach works well with both homophilic and heterophilic graphs and can dynamically create views for generating positive and negative pairs. Through extensive experiments on benchmark graph datasets, we show that FOSSIL outperforms or achieves competitive performance compared to current state-of-the-art methods.
☆ A Pilot Empirical Study on When and How to Use Knowledge Graphs as Retrieval Augmented Generation
The integration of Knowledge Graphs (KGs) into the Retrieval Augmented Generation (RAG) framework has attracted significant interest, with early studies showing promise in mitigating hallucinations and improving model accuracy. However, a systematic understanding and comparative analysis of the rapidly emerging KG-RAG methods are still lacking. This paper seeks to lay the foundation for systematically answering the question of when and how to use KG-RAG by analyzing their performance in various application scenarios associated with different technical configurations. After outlining the mind map using KG-RAG framework and summarizing its popular pipeline, we conduct a pilot empirical study of KG-RAG works to reimplement and evaluate 6 KG-RAG methods across 7 datasets in diverse scenarios, analyzing the impact of 9 KG-RAG configurations in combination with 17 LLMs. Our results underscore the critical role of appropriate application conditions and optimal configurations of KG-RAG components.
comment: 8 pages, 2 figures, 14 tables
☆ Oscillation-Reduced MXFP4 Training for Vision Transformers
Pre-training Transformers in FP4 precision is becoming a promising approach to gain substantial speedup, but it comes with a considerable loss of accuracy. Microscaling (MX) data format provides a fine-grained per-group quantization method to improve the representation ability of the FP4 format and is supported by the next-generation Blackwell GPU architecture. However, training with MXFP4 data format still results in significant degradation and there is a lack of systematic research on the reason. In this work, we propose a novel training method TetraJet for a more accurate FP4 training. We comprehensively evaluate all of the quantizers involved in the training, and identify the weight oscillation problem in the forward pass as the main source of the degradation in MXFP4 training. Therefore, we introduce two novel methods, EMA Quantizer (Q-EMA) and Adaptive Ramping Optimizer (Q-Ramping), to resolve the oscillation problem. Extensive experiments on Vision Transformers demonstrate that TetraJet consistently outperforms the existing 4-bit training methods, and Q-EMA & Q-Ramping can provide additional enhancement by effectively reducing oscillation. We decreased the accuracy degradation by more than $50\%$ compared to the baseline, and can even achieve competitive performance compared to full precision training. The codes are available at https://github.com/thu-ml/TetraJet-MXFP4Training
☆ Reinforcement Learning with Curriculum-inspired Adaptive Direct Policy Guidance for Truck Dispatching
Efficient truck dispatching via Reinforcement Learning (RL) in open-pit mining is often hindered by reliance on complex reward engineering and value-based methods. This paper introduces Curriculum-inspired Adaptive Direct Policy Guidance, a novel curriculum learning strategy for policy-based RL to address these issues. We adapt Proximal Policy Optimization (PPO) for mine dispatching's uneven decision intervals using time deltas in Temporal Difference and Generalized Advantage Estimation, and employ a Shortest Processing Time teacher policy for guided exploration via policy regularization and adaptive guidance. Evaluations in OpenMines demonstrate our approach yields a 10% performance gain and faster convergence over standard PPO across sparse and dense reward settings, showcasing improved robustness to reward design. This direct policy guidance method provides a general and effective curriculum learning technique for RL-based truck dispatching, enabling future work on advanced architectures.
☆ Neuro-Symbolic Learning for Galois Groups: Unveiling Probabilistic Trends in Polynomials
This paper presents a neurosymbolic approach to classifying Galois groups of polynomials, integrating classical Galois theory with machine learning to address challenges in algebraic computation. By combining neural networks with symbolic reasoning we develop a model that outperforms purely numerical methods in accuracy and interpretability. Focusing on sextic polynomials with height $\leq 6$, we analyze a database of 53,972 irreducible examples, uncovering novel distributional trends, such as the 20 sextic polynomials with Galois group $C_6$ spanning just seven invariant-defined equivalence classes. These findings offer the first empirical insights into Galois group probabilities under height constraints and lay the groundwork for exploring solvability by radicals. Demonstrating AI's potential to reveal patterns beyond traditional symbolic techniques, this work paves the way for future research in computational algebra, with implications for probabilistic conjectures and higher degree classifications.
☆ Hierarchical and Modular Network on Non-prehensile Manipulation in General Environments
For robots to operate in general environments like households, they must be able to perform non-prehensile manipulation actions such as toppling and rolling to manipulate ungraspable objects. However, prior works on non-prehensile manipulation cannot yet generalize across environments with diverse geometries. The main challenge lies in adapting to varying environmental constraints: within a cabinet, the robot must avoid walls and ceilings; to lift objects to the top of a step, the robot must account for the step's pose and extent. While deep reinforcement learning (RL) has demonstrated impressive success in non-prehensile manipulation, accounting for such variability presents a challenge for the generalist policy, as it must learn diverse strategies for each new combination of constraints. To address this, we propose a modular and reconfigurable architecture that adaptively reconfigures network modules based on task requirements. To capture the geometric variability in environments, we extend the contact-based object representation (CORN) to environment geometries, and propose a procedural algorithm for generating diverse environments to train our agent. Taken together, the resulting policy can zero-shot transfer to novel real-world environments and objects despite training entirely within a simulator. We additionally release a simulation-based benchmark featuring nine digital twins of real-world scenes with 353 objects to facilitate non-prehensile manipulation research in realistic domains.
comment: http://unicorn-hamnet.github.io/
☆ Weakly Supervised Multiple Instance Learning for Whale Call Detection and Localization in Long-Duration Passive Acoustic Monitoring
Marine ecosystem monitoring via Passive Acoustic Monitoring (PAM) generates vast data, but deep learning often requires precise annotations and short segments. We introduce DSMIL-LocNet, a Multiple Instance Learning framework for whale call detection and localization using only bag-level labels. Our dual-stream model processes 2-30 minute audio segments, leveraging spectral and temporal features with attention-based instance selection. Tests on Antarctic whale data show longer contexts improve classification (F1: 0.8-0.9) while medium instances ensure localization precision (0.65-0.70). This suggests MIL can enhance scalable marine monitoring. Code: https://github.com/Ragib-Amin-Nihal/DSMIL-Loc
☆ LADs: Leveraging LLMs for AI-Driven DevOps
Automating cloud configuration and deployment remains a critical challenge due to evolving infrastructures, heterogeneous hardware, and fluctuating workloads. Existing solutions lack adaptability and require extensive manual tuning, leading to inefficiencies and misconfigurations. We introduce LADs, the first LLM-driven framework designed to tackle these challenges by ensuring robustness, adaptability, and efficiency in automated cloud management. Instead of merely applying existing techniques, LADs provides a principled approach to configuration optimization through in-depth analysis of what optimization works under which conditions. By leveraging Retrieval-Augmented Generation, Few-Shot Learning, Chain-of-Thought, and Feedback-Based Prompt Chaining, LADs generates accurate configurations and learns from deployment failures to iteratively refine system settings. Our findings reveal key insights into the trade-offs between performance, cost, and scalability, helping practitioners determine the right strategies for different deployment scenarios. For instance, we demonstrate how prompt chaining-based adaptive feedback loops enhance fault tolerance in multi-tenant environments and how structured log analysis with example shots improves configuration accuracy. Through extensive evaluations, LADs reduces manual effort, optimizes resource utilization, and improves system reliability. By open-sourcing LADs, we aim to drive further innovation in AI-powered DevOps automation.
comment: 17 pages with Appendix, 8 figures, and 7 tables. This paper is currently Under Review
☆ MV-MATH: Evaluating Multimodal Math Reasoning in Multi-Visual Contexts
Multimodal Large Language Models (MLLMs) have shown promising capabilities in mathematical reasoning within visual contexts across various datasets. However, most existing multimodal math benchmarks are limited to single-visual contexts, which diverges from the multi-visual scenarios commonly encountered in real-world mathematical applications. To address this gap, we introduce MV-MATH: a meticulously curated dataset of 2,009 high-quality mathematical problems. Each problem integrates multiple images interleaved with text, derived from authentic K-12 scenarios, and enriched with detailed annotations. MV-MATH includes multiple-choice, free-form, and multi-step questions, covering 11 subject areas across 3 difficulty levels, and serves as a comprehensive and rigorous benchmark for assessing MLLMs' mathematical reasoning in multi-visual contexts. Through extensive experimentation, we observe that MLLMs encounter substantial challenges in multi-visual math tasks, with a considerable performance gap relative to human capabilities on MV-MATH. Furthermore, we analyze the performance and error patterns of various models, providing insights into MLLMs' mathematical reasoning capabilities within multi-visual settings.
comment: 47 pages
☆ Multimodal Learning for Just-In-Time Software Defect Prediction in Autonomous Driving Systems
In recent years, the rise of autonomous driving technologies has highlighted the critical importance of reliable software for ensuring safety and performance. This paper proposes a novel approach for just-in-time software defect prediction (JIT-SDP) in autonomous driving software systems using multimodal learning. The proposed model leverages the multimodal transformers in which the pre-trained transformers and a combining module deal with the multiple data modalities of the software system datasets such as code features, change metrics, and contextual information. The key point for adapting multimodal learning is to utilize the attention mechanism between the different data modalities such as text, numerical, and categorical. In the combining module, the output of a transformer model on text data and tabular features containing categorical and numerical data are combined to produce the predictions using the fully connected layers. Experiments conducted on three open-source autonomous driving system software projects collected from the GitHub repository (Apollo, Carla, and Donkeycar) demonstrate that the proposed approach significantly outperforms state-of-the-art deep learning and machine learning models regarding evaluation metrics. Our findings highlight the potential of multimodal learning to enhance the reliability and safety of autonomous driving software through improved defect prediction.
comment: 9
☆ Characteristics Analysis of Autonomous Vehicle Pre-crash Scenarios
To date, hundreds of crashes have occurred in open road testing of automated vehicles (AVs), highlighting the need for improving AV reliability and safety. Pre-crash scenario typology classifies crashes based on vehicle dynamics and kinematics features. Building on this, characteristics analysis can identify similar features under comparable crashes, offering a more effective reflection of general crash patterns and providing more targeted recommendations for enhancing AV performance. However, current studies primarily concentrated on crashes among conventional human-driven vehicles, leaving a gap in research dedicated to in-depth AV crash analyses. In this paper, we analyzed the latest California AV collision reports and used the newly revised pre-crash scenario typology to identify pre-crash scenarios. We proposed a set of mapping rules for automatically extracting these AV pre-crash scenarios, successfully identifying 24 types with a 98.1% accuracy rate, and obtaining two key scenarios of AV crashes (i.e., rear-end scenarios and intersection scenarios) through detailed analysis. Association analyses of rear-end scenarios showed that the significant environmental influencing factors were traffic control type, location type, light, etc. For intersection scenarios prone to severe crashes with detailed descriptions, we employed causal analyses to obtain the significant causal factors: habitual violations and expectations of certain behavior. Optimization recommendations were then formulated, addressing both governmental oversight and AV manufacturers' potential improvements. The findings of this paper could guide government authorities to develop related regulations, help manufacturers design AV test scenarios, and identify potential shortcomings in control algorithms specific to various real-world scenarios, thereby optimizing AV systems effectively.
☆ Flattening Supply Chains: When do Technology Improvements lead to Disintermediation?
In the digital economy, technological innovations make it cheaper to produce high-quality content. For example, generative AI tools reduce costs for creators who develop content to be distributed online, but can also reduce production costs for the users who consume that content. These innovations can thus lead to disintermediation, since consumers may choose to use these technologies directly, bypassing intermediaries. To investigate when technological improvements lead to disintermediation, we study a game with an intermediary, suppliers of a production technology, and consumers. First, we show disintermediation occurs whenever production costs are too high or too low. We then investigate the consequences of disintermediation for welfare and content quality at equilibrium. While the intermediary is welfare-improving, the intermediary extracts all gains to social welfare and its presence can raise or lower content quality. We further analyze how disintermediation is affected by the level of competition between suppliers and the intermediary's fee structure. More broadly, our results take a step towards assessing how production technology innovations affect the survival of intermediaries and impact the digital economy.
☆ MedHallTune: An Instruction-Tuning Benchmark for Mitigating Medical Hallucination in Vision-Language Models
The increasing use of vision-language models (VLMs) in healthcare applications presents great challenges related to hallucinations, in which the models may generate seemingly plausible results that are in fact incorrect. Such hallucinations can jeopardize clinical decision making, potentially harming the diagnosis and treatments. In this work, we propose MedHallTune, a large-scale benchmark designed specifically to evaluate and mitigate hallucinations in medical VLMs. Comprising over 100,000 images and 1,000,000 instruction pairs, MedHallTune includes both hallucination and non-hallucination samples, each with ground-truth annotations. We conduct a comprehensive evaluation of current medical and general VLMs using MedHallTune, assessing their performance across key metrics, including clinical accuracy, relevance, detail level, and risk level. The experimental results show that fine-tuning with MedHallTune successfully improves the ability of several existing models to manage hallucinations and boost their zero-shot performance on downstream visual-question-answering (VQA) tasks, making them more reliable for practical medical applications. Our work contributes to the development of more trustworthy VLMs. Codes and dataset will be available at \href{https://github.com/russellyq/MedHallTune}{MedHallTune}.
☆ Triple Phase Transitions: Understanding the Learning Dynamics of Large Language Models from a Neuroscience Perspective
Large language models (LLMs) often exhibit abrupt emergent behavior, whereby new abilities arise at certain points during their training. This phenomenon, commonly referred to as a ''phase transition'', remains poorly understood. In this study, we conduct an integrative analysis of such phase transitions by examining three interconnected perspectives: the similarity between LLMs and the human brain, the internal states of LLMs, and downstream task performance. We propose a novel interpretation for the learning dynamics of LLMs that vary in both training data and architecture, revealing that three phase transitions commonly emerge across these models during training: (1) alignment with the entire brain surges as LLMs begin adhering to task instructions Brain Alignment and Instruction Following, (2) unexpectedly, LLMs diverge from the brain during a period in which downstream task accuracy temporarily stagnates Brain Detachment and Stagnation, and (3) alignment with the brain reoccurs as LLMs become capable of solving the downstream tasks Brain Realignment and Consolidation. These findings illuminate the underlying mechanisms of phase transitions in LLMs, while opening new avenues for interdisciplinary research bridging AI and neuroscience.
comment: 46 pages
♻ ☆ Toward Foundational Model for Sleep Analysis Using a Multimodal Hybrid Self-Supervised Learning Framework
Sleep is essential for maintaining human health and quality of life. Analyzing physiological signals during sleep is critical in assessing sleep quality and diagnosing sleep disorders. However, manual diagnoses by clinicians are time-intensive and subjective. Despite advances in deep learning that have enhanced automation, these approaches remain heavily dependent on large-scale labeled datasets. This study introduces SynthSleepNet, a multimodal hybrid self-supervised learning framework designed for analyzing polysomnography (PSG) data. SynthSleepNet effectively integrates masked prediction and contrastive learning to leverage complementary features across multiple modalities, including electroencephalogram (EEG), electrooculography (EOG), electromyography (EMG), and electrocardiogram (ECG). This approach enables the model to learn highly expressive representations of PSG data. Furthermore, a temporal context module based on Mamba was developed to efficiently capture contextual information across signals. SynthSleepNet achieved superior performance compared to state-of-the-art methods across three downstream tasks: sleep-stage classification, apnea detection, and hypopnea detection, with accuracies of 89.89%, 99.75%, and 89.60%, respectively. The model demonstrated robust performance in a semi-supervised learning environment with limited labels, achieving accuracies of 87.98%, 99.37%, and 77.52% in the same tasks. These results underscore the potential of the model as a foundational tool for the comprehensive analysis of PSG data. SynthSleepNet demonstrates comprehensively superior performance across multiple downstream tasks compared to other methodologies, making it expected to set a new standard for sleep disorder monitoring and diagnostic systems.
comment: 18 pages, 5 figures
♻ ☆ The GUS Framework: Benchmarking Social Bias Classification with Discriminative (Encoder-Only) and Generative (Decoder-Only) Language Models
The detection of social bias in text is a critical challenge, particularly due to the limitations of binary classification methods. These methods often oversimplify nuanced biases, leading to high emotional impact when content is misclassified as either "biased" or "fair." To address these shortcomings, we propose a more nuanced framework that focuses on three key linguistic components underlying social bias: Generalizations, Unfairness, and Stereotypes (the GUS framework). The GUS framework employs a semi-automated approach to create a comprehensive synthetic dataset, which is then verified by humans to maintain ethical standards. This dataset enables robust multi-label token classification. Our methodology, which combines discriminative (encoder-only) models and generative (auto-regressive large language models), identifies biased entities in text. Through extensive experiments, we demonstrate that encoder-only models are effective for this complex task, often outperforming state-of-the-art methods, both in terms of macro and entity-wise F1-score and Hamming loss. These findings can guide the choice of model for different use cases, highlighting the GUS framework's effectiveness in capturing explicit and implicit biases across diverse contexts, and offering a pathway for future research and applications in various fields.
♻ ☆ Can Large Language Models Predict the Outcome of Judicial Decisions?
Large Language Models (LLMs) have shown exceptional capabilities in Natural Language Processing (NLP) across diverse domains. However, their application in specialized tasks such as Legal Judgment Prediction (LJP) for low-resource languages like Arabic remains underexplored. In this work, we address this gap by developing an Arabic LJP dataset, collected and preprocessed from Saudi commercial court judgments. We benchmark state-of-the-art open-source LLMs, including LLaMA-3.2-3B and LLaMA-3.1-8B, under varying configurations such as zero-shot, one-shot, and fine-tuning using LoRA. Additionally, we employed a comprehensive evaluation framework that integrates both quantitative metrics (such as BLEU, ROUGE, and BERT) and qualitative assessments (including Coherence, Legal Language, Clarity, etc.) using an LLM. Our results demonstrate that fine-tuned smaller models achieve comparable performance to larger models in task-specific contexts while offering significant resource efficiency. Furthermore, we investigate the impact of fine-tuning the model on a diverse set of instructions, offering valuable insights into the development of a more human-centric and adaptable LLM. We have made the dataset, code, and models publicly available to provide a solid foundation for future research in Arabic legal NLP.
♻ ☆ Learning Multi-Modal Whole-Body Control for Real-World Humanoid Robots
The foundational capabilities of humanoid robots should include robustly standing, walking, and mimicry of whole and partial-body motions. This work introduces the Masked Humanoid Controller (MHC), which supports all of these capabilities by tracking target trajectories over selected subsets of humanoid state variables while ensuring balance and robustness against disturbances. The MHC is trained in simulation using a carefully designed curriculum that imitates partially masked motions from a library of behaviors spanning standing, walking, optimized reference trajectories, re-targeted video clips, and human motion capture data. It also allows for combining joystick-based control with partial-body motion mimicry. We showcase simulation experiments validating the MHC's ability to execute a wide variety of behaviors from partially-specified target motions. Moreover, we demonstrate sim-to-real transfer on the real-world Digit V3 humanoid robot. To our knowledge, this is the first instance of a learned controller that can realize whole-body control of a real-world humanoid for such diverse multi-modal targets.
comment: Website: https://masked-humanoid.github.io/mhc/
♻ ☆ Connecting Federated ADMM to Bayes
We provide new connections between two distinct federated learning approaches based on (i) ADMM and (ii) Variational Bayes (VB), and propose new variants by combining their complementary strengths. Specifically, we show that the dual variables in ADMM naturally emerge through the 'site' parameters used in VB with isotropic Gaussian covariances. Using this, we derive two versions of ADMM from VB that use flexible covariances and functional regularisation, respectively. Through numerical experiments, we validate the improvements obtained in performance. The work shows connection between two fields that are believed to be fundamentally different and combines them to improve federated learning.
♻ ☆ Explaining Humour Style Classifications: An XAI Approach to Understanding Computational Humour Analysis
Humour styles can have either a negative or a positive impact on well-being. Given the importance of these styles to mental health, significant research has been conducted on their automatic identification. However, the automated machine learning models used for this purpose are black boxes, making their prediction decisions opaque. Clarity and transparency are vital in the field of mental health. This paper presents an explainable AI (XAI) framework for understanding humour style classification, building upon previous work in computational humour analysis. Using the best-performing single model (ALI+XGBoost) from prior research, we apply comprehensive XAI techniques to analyse how linguistic, emotional, and semantic features contribute to humour style classification decisions. Our analysis reveals distinct patterns in how different humour styles are characterised and misclassified, with particular emphasis on the challenges in distinguishing affiliative humour from other styles. Through detailed examination of feature importance, error patterns, and misclassification cases, we identify key factors influencing model decisions, including emotional ambiguity, context misinterpretation, and target identification. The framework demonstrates significant utility in understanding model behaviour, achieving interpretable insights into the complex interplay of features that define different humour styles. Our findings contribute to both the theoretical understanding of computational humour analysis and practical applications in mental health, content moderation, and digital humanities research.
♻ ☆ Logicbreaks: A Framework for Understanding Subversion of Rule-based Inference
We study how to subvert large language models (LLMs) from following prompt-specified rules. We first formalize rule-following as inference in propositional Horn logic, a mathematical system in which rules have the form "if $P$ and $Q$, then $R$" for some propositions $P$, $Q$, and $R$. Next, we prove that although small transformers can faithfully follow such rules, maliciously crafted prompts can still mislead both theoretical constructions and models learned from data. Furthermore, we demonstrate that popular attack algorithms on LLMs find adversarial prompts and induce attention patterns that align with our theory. Our novel logic-based framework provides a foundation for studying LLMs in rule-based settings, enabling a formal analysis of tasks like logical reasoning and jailbreak attacks.
♻ ☆ Cell-ontology guided transcriptome foundation model NeurIPS 2024
Transcriptome foundation models TFMs hold great promises of deciphering the transcriptomic language that dictate diverse cell functions by self-supervised learning on large-scale single-cell gene expression data, and ultimately unraveling the complex mechanisms of human diseases. However, current TFMs treat cells as independent samples and ignore the taxonomic relationships between cell types, which are available in cell ontology graphs. We argue that effectively leveraging this ontology information during the TFM pre-training can improve learning biologically meaningful gene co-expression patterns while preserving TFM as a general purpose foundation model for downstream zero-shot and fine-tuning tasks. To this end, we present single cell, Cell-ontology guided TFM scCello. We introduce cell-type coherence loss and ontology alignment loss, which are minimized along with the masked gene expression prediction loss during the pre-training. The novel loss component guide scCello to learn the cell-type-specific representation and the structural relation between cell types from the cell ontology graph, respectively. We pre-trained scCello on 22 million cells from CellxGene database leveraging their cell-type labels mapped to the cell ontology graph from Open Biological and Biomedical Ontology Foundry. Our TFM demonstrates competitive generalization and transferability performance over the existing TFMs on biologically important tasks including identifying novel cell types of unseen cells, prediction of cell-type-specific marker genes, and cancer drug responses.
comment: Accepted to NeurIPS 2024 as Spotlight
♻ ☆ Dual Thinking and Logical Processing -- Are Multi-modal Large Language Models Closing the Gap with Human Vision ?
The dual thinking framework considers fast, intuitive, and slower logical processing. The perception of dual thinking in vision requires images where inferences from intuitive and logical processing differ, and the latter is under-explored in current studies. We introduce a novel adversarial dataset to provide evidence for the dual thinking framework in human vision, which also facilitates the study of the qualitative behavior of deep learning models. Our psychophysical studies show the presence of multiple inferences in rapid succession, and analysis of errors shows that the early stopping of visual processing can result in missing relevant information. MLLMs (Multi-modal Large Language Models) and VLMs (Vision Language Models) have made significant progress in correcting errors in intuitive processing in human vision and showed enhanced performance on images requiring logical processing. However, their improvements in logical processing have not kept pace with their advancements in intuitive processing. In contrast, segmentation models exhibit errors similar to those seen in intuitive human processing and lack understanding of sub-structures, as indicated by errors related to sub-components in identified instances. As AI (Artificial Intelligence)-based systems find increasing applications in safety-critical domains like autonomous driving, the integration of logical processing capabilities becomes essential. This not only enhances performance but also addresses the limitations of scaling-based approaches while ensuring robustness and reliability in real-world environments.
♻ ☆ FORM: Learning Expressive and Transferable First-Order Logic Reward Machines AAMAS'25
Reward machines (RMs) are an effective approach for addressing non-Markovian rewards in reinforcement learning (RL) through finite-state machines. Traditional RMs, which label edges with propositional logic formulae, inherit the limited expressivity of propositional logic. This limitation hinders the learnability and transferability of RMs since complex tasks will require numerous states and edges. To overcome these challenges, we propose First-Order Reward Machines ($\texttt{FORM}$s), which use first-order logic to label edges, resulting in more compact and transferable RMs. We introduce a novel method for $\textbf{learning}$ $\texttt{FORM}$s and a multi-agent formulation for $\textbf{exploiting}$ them and facilitate their transferability, where multiple agents collaboratively learn policies for a shared $\texttt{FORM}$. Our experimental results demonstrate the scalability of $\texttt{FORM}$s with respect to traditional RMs. Specifically, we show that $\texttt{FORM}$s can be effectively learnt for tasks where traditional RM learning approaches fail. We also show significant improvements in learning speed and task transferability thanks to the multi-agent learning framework and the abstraction provided by the first-order language.
comment: AAMAS'25
♻ ☆ Beyond the Kolmogorov Barrier: A Learnable Weighted Hybrid Autoencoder for Model Order Reduction
Representation learning for high-dimensional, complex physical systems aims to identify a low-dimensional intrinsic latent space, which is crucial for reduced-order modeling and modal analysis. To overcome the well-known Kolmogorov barrier, deep autoencoders (AEs) have been introduced in recent years, but they often suffer from poor convergence behavior as the rank of the latent space increases. To address this issue, we propose the learnable weighted hybrid autoencoder, a hybrid approach that combines the strengths of singular value decomposition (SVD) with deep autoencoders through a learnable weighted framework. We find that the introduction of learnable weighting parameters is essential -- without them, the resulting model would either collapse into a standard POD or fail to exhibit the desired convergence behavior. Interestingly, we empirically find that our trained model has a sharpness thousands of times smaller compared to other models. Our experiments on classical chaotic PDE systems, including the 1D Kuramoto-Sivashinsky and forced isotropic turbulence datasets, demonstrate that our approach significantly improves generalization performance compared to several competing methods. Additionally, when combining with time series modeling techniques (e.g., Koopman operator, LSTM), the proposed technique offers significant improvements for surrogate modeling of high-dimensional multi-scale PDE systems.
comment: 31 pages
♻ ☆ SemlaFlow -- Efficient 3D Molecular Generation with Latent Attention and Equivariant Flow Matching AISTATS 2025
Methods for jointly generating molecular graphs along with their 3D conformations have gained prominence recently due to their potential impact on structure-based drug design. Current approaches, however, often suffer from very slow sampling times or generate molecules with poor chemical validity. Addressing these limitations, we propose Semla, a scalable E(3)-equivariant message passing architecture. We further introduce an unconditional 3D molecular generation model, SemlaFlow, which is trained using equivariant flow matching to generate a joint distribution over atom types, coordinates, bond types and formal charges. Our model produces state-of-the-art results on benchmark datasets with as few as 20 sampling steps, corresponding to a two order-of-magnitude speedup compared to state-of-the-art. Furthermore, we highlight limitations of current evaluation methods for 3D generation and propose new benchmark metrics for unconditional molecular generators. Finally, using these new metrics, we compare our model's ability to generate high quality samples against current approaches and further demonstrate SemlaFlow's strong performance.
comment: AISTATS 2025
♻ ☆ Efficiently Learning Probabilistic Logical Models by Cheaply Ranking Mined Rules
Probabilistic logical models are a core component of neurosymbolic AI and are important in their own right for tasks that require high explainability. Unlike neural networks, logical theories that underlie the model are often handcrafted using domain expertise, making their development costly and prone to errors. While there are algorithms that learn logical theories from data, they are generally prohibitively expensive, limiting their applicability in real-world settings. Here, we introduce precision and recall for logical rules and define their composition as rule utility -- a cost-effective measure of the predictive power of logical theories. We also introduce SPECTRUM, a scalable framework for learning logical theories from relational data. Its scalability derives from a linear-time algorithm that mines recurrent subgraphs in the data graph along with a second algorithm that, using the cheap utility measure, efficiently ranks rules derived from these subgraphs. Finally, we prove theoretical guarantees on the utility of the learnt logical theory. As a result, we demonstrate across various tasks that SPECTRUM scales to larger datasets, often learning more accurate logical theories on CPUs in < 1% the runtime of SOTA neural network approaches on GPUs.
comment: 21 pages
♻ ☆ Stochasticity in Motion: An Information-Theoretic Approach to Trajectory Prediction IROS 2025
In autonomous driving, accurate motion prediction is crucial for safe and efficient motion planning. To ensure safety, planners require reliable uncertainty estimates of the predicted behavior of surrounding agents, yet this aspect has received limited attention. In particular, decomposing uncertainty into its aleatoric and epistemic components is essential for distinguishing between inherent environmental randomness and model uncertainty, thereby enabling more robust and informed decision-making. This paper addresses the challenge of uncertainty modeling in trajectory prediction with a holistic approach that emphasizes uncertainty quantification, decomposition, and the impact of model composition. Our method, grounded in information theory, provides a theoretically principled way to measure uncertainty and decompose it into aleatoric and epistemic components. Unlike prior work, our approach is compatible with state-of-the-art motion predictors, allowing for broader applicability. We demonstrate its utility by conducting extensive experiments on the nuScenes dataset, which shows how different architectures and configurations influence uncertainty quantification and model robustness.
comment: 8 pages, 5 figures, submitted to International Conference on Intelligent Robots and Systems (IROS 2025)
♻ ☆ Atomas: Hierarchical Alignment on Molecule-Text for Unified Molecule Understanding and Generation
Molecule-and-text cross-modal representation learning has emerged as a promising direction for enhancing the quality of molecular representation, thereby improving performance in various scientific fields, including drug discovery and materials science. Existing studies adopt a global alignment approach to learn the knowledge from different modalities. These global alignment approaches fail to capture fine-grained information, such as molecular fragments and their corresponding textual description, which is crucial for downstream tasks. Furthermore, it is incapable to model such information using a similar global alignment strategy due to data scarcity of paired local part annotated data from existing datasets. In this paper, we propose Atomas, a multi-modal molecular representation learning framework to jointly learn representations from SMILES string and text. We design a Hierarchical Adaptive Alignment model to concurrently learn the fine-grained fragment correspondence between two modalities and align these representations of fragments in three levels. Additionally, Atomas's end-to-end training framework incorporates the tasks of understanding and generating molecule, thereby supporting a wider range of downstream tasks. In the retrieval task, Atomas exhibits robust generalization ability and outperforms the baseline by 30.8% of recall@1 on average. In the generation task, Atomas achieves state-of-the-art results in both molecule captioning task and molecule generation task. Moreover, the visualization of the Hierarchical Adaptive Alignment model further confirms the chemical significance of our approach. Our codes can be found at https://anonymous.4open.science/r/Atomas-03C3.
♻ ☆ Logic Synthesis Optimization with Predictive Self-Supervision via Causal Transformers
Contemporary hardware design benefits from the abstraction provided by high-level logic gates, streamlining the implementation of logic circuits. Logic Synthesis Optimization (LSO) operates at one level of abstraction within the Electronic Design Automation (EDA) workflow, targeting improvements in logic circuits with respect to performance metrics such as size and speed in the final layout. Recent trends in the field show a growing interest in leveraging Machine Learning (ML) for EDA, notably through ML-guided logic synthesis utilizing policy-based Reinforcement Learning (RL) methods.Despite these advancements, existing models face challenges such as overfitting and limited generalization, attributed to constrained public circuits and the expressiveness limitations of graph encoders. To address these hurdles, and tackle data scarcity issues, we introduce LSOformer, a novel approach harnessing Autoregressive transformer models and predictive SSL to predict the trajectory of Quality of Results (QoR). LSOformer integrates cross-attention modules to merge insights from circuit graphs and optimization sequences, thereby enhancing prediction accuracy for QoR metrics. Experimental studies validate the effectiveness of LSOformer, showcasing its superior performance over baseline architectures in QoR prediction tasks, where it achieves improvements of 5.74%, 4.35%, and 17.06% on the EPFL, OABCD, and proprietary circuits datasets, respectively, in inductive setup.
♻ ☆ The BrowserGym Ecosystem for Web Agent Research
The BrowserGym ecosystem addresses the growing need for efficient evaluation and benchmarking of web agents, particularly those leveraging automation and Large Language Models (LLMs). Many existing benchmarks suffer from fragmentation and inconsistent evaluation methodologies, making it challenging to achieve reliable comparisons and reproducible results. In an earlier work, Drouin et al. (2024) introduced BrowserGym which aims to solve this by providing a unified, gym-like environment with well-defined observation and action spaces, facilitating standardized evaluation across diverse benchmarks. We propose an extended BrowserGym-based ecosystem for web agent research, which unifies existing benchmarks from the literature and includes AgentLab, a complementary framework that aids in agent creation, testing, and analysis. Our proposed ecosystem offers flexibility for integrating new benchmarks while ensuring consistent evaluation and comprehensive experiment management. As a supporting evidence, we conduct the first large-scale, multi-benchmark web agent experiment and compare the performance of 6 state-of-the-art LLMs across 6 popular web agent benchmarks made available in BrowserGym. Among other findings, our results highlight a large discrepancy between OpenAI and Anthropic's latests models, with Claude-3.5-Sonnet leading the way on almost all benchmarks, except on vision-related tasks where GPT-4o is superior. Despite these advancements, our results emphasize that building robust and efficient web agents remains a significant challenge, due to the inherent complexity of real-world web environments and the limitations of current models.
♻ ☆ Graph Sampling for Scalable and Expressive Graph Neural Networks on Homophilic Graphs
Graph Neural Networks (GNNs) excel in many graph machine learning tasks but face challenges when scaling to large networks. GNN transferability allows training on smaller graphs and applying the model to larger ones, but existing methods often rely on random subsampling, leading to disconnected subgraphs and reduced model expressivity. We propose a novel graph sampling algorithm that leverages feature homophily to preserve graph structure. By minimizing the trace of the data correlation matrix, our method better preserves the graph Laplacian trace -- a proxy for the graph connectivity -- than random sampling, while achieving lower complexity than spectral methods. Experiments on citation networks show improved performance in preserving Laplacian trace and GNN transferability compared to random sampling.
♻ ☆ From Commands to Prompts: LLM-based Semantic File System for AIOS
Large language models (LLMs) have demonstrated significant potential in the development of intelligent applications and systems such as LLM-based agents and agent operating systems (AIOS). However, when these applications and systems interact with the underlying file system, the file system still remains the traditional paradigm: reliant on manual navigation through precise commands. This paradigm poses a bottleneck to the usability of these systems as users are required to navigate complex folder hierarchies and remember cryptic file names. To address this limitation, we propose an LLM-based semantic file system ( LSFS ) for prompt-driven file management. Unlike conventional approaches, LSFS incorporates LLMs to enable users or agents to interact with files through natural language prompts, facilitating semantic file management. At the macro-level, we develop a comprehensive API set to achieve semantic file management functionalities, such as semantic file retrieval, file update monitoring and summarization, and semantic file rollback). At the micro-level, we store files by constructing semantic indexes for them, design and implement syscalls of different semantic operations (e.g., CRUD, group by, join) powered by vector database. Our experiments show that LSFS offers significant improvements over traditional file systems in terms of user convenience, the diversity of supported functions, and the accuracy and efficiency of file operations. Additionally, with the integration of LLM, our system enables more intelligent file management tasks, such as content summarization and version comparison, further enhancing its capabilities.
♻ ☆ Disentangling Uncertainty for Safe Social Navigation using Deep Reinforcement Learning
Autonomous mobile robots are increasingly used in pedestrian-rich environments where safe navigation and appropriate human interaction are crucial. While Deep Reinforcement Learning (DRL) enables socially integrated robot behavior, challenges persist in novel or perturbed scenarios to indicate when and why the policy is uncertain. Unknown uncertainty in decision-making can lead to collisions or human discomfort and is one reason why safe and risk-aware navigation is still an open problem. This work introduces a novel approach that integrates aleatoric, epistemic, and predictive uncertainty estimation into a DRL navigation framework for policy distribution uncertainty estimates. We, therefore, incorporate Observation-Dependent Variance (ODV) and dropout into the Proximal Policy Optimization (PPO) algorithm. For different types of perturbations, we compare the ability of deep ensembles and Monte-Carlo dropout (MC-dropout) to estimate the uncertainties of the policy. In uncertain decision-making situations, we propose to change the robot's social behavior to conservative collision avoidance. The results show improved training performance with ODV and dropout in PPO and reveal that the training scenario has an impact on the generalization. In addition, MC-dropout is more sensitive to perturbations and correlates the uncertainty type to the perturbation better. With the safe action selection, the robot can navigate in perturbed environments with fewer collisions.
comment: Submitted to the IEEE for possible publication, 8 pages, 6 figures and 4 tables
♻ ☆ LLMs in the Heart of Differential Testing: A Case Study on a Medical Rule Engine
The Cancer Registry of Norway (CRN) uses an automated cancer registration support system (CaReSS) to support core cancer registry activities, i.e, data capture, data curation, and producing data products and statistics for various stakeholders. GURI is a core component of CaReSS, which is responsible for validating incoming data with medical rules. Such medical rules are manually implemented by medical experts based on medical standards, regulations, and research. Since large language models (LLMs) have been trained on a large amount of public information, including these documents, they can be employed to generate tests for GURI. Thus, we propose an LLM-based test generation and differential testing approach (LLMeDiff) to test GURI. We experimented with four different LLMs, two medical rule engine implementations, and 58 real medical rules to investigate the hallucination, success, time efficiency, and robustness of the LLMs to generate tests, and these tests' ability to find potential issues in GURI. Our results showed that GPT-3.5 hallucinates the least, is the most successful, and is generally the most robust; however, it has the worst time efficiency. Our differential testing revealed 22 medical rules where implementation inconsistencies were discovered (e.g., regarding handling rule versions). Finally, we provide insights for practitioners and researchers based on the results.
comment: 12 pages, 6 figures, 4 tables, 1 listing, revised arguments
♻ ☆ Grams: Gradient Descent with Adaptive Momentum Scaling for Training Large Language Models
We introduce $\mathbf{G}$radient Descent with $\mathbf{A}$daptive $\mathbf{M}$omentum $\mathbf{S}$caling ($\mathbf{Grams}$), a novel optimization algorithm that decouples the direction and magnitude of parameter updates in deep learning. Unlike traditional optimizers that directly integrate momentum into updates, Grams separates the update direction, derived from current gradients, from momentum, which is used solely for adaptive magnitude scaling. This approach enables Grams to achieve improved loss descent compared to state-of-the-art cautious and momentum-based optimizers. We theoretically demonstrate that Grams descents faster than other state-of-the-art optimizers and establish a global convergence guarantee for Grams. We also validate its effectiveness through extensive empirical evaluations. The results demonstrate Grams' superior performance, including faster convergence and better generalization, compared to widely-used optimizers such as Adam, Lion, and their cautious variants. Our results highlight Grams' potential as a transformative approach for efficiently training large language models. Code is available at $\href{https://github.com/Gunale0926/Grams}{\text{https://github.com/Gunale0926/Grams}}$.
♻ ☆ DKDM: Data-Free Knowledge Distillation for Diffusion Models with Any Architecture
Diffusion models (DMs) have demonstrated exceptional generative capabilities across various domains, including image, video, and so on. A key factor contributing to their effectiveness is the high quantity and quality of data used during training. However, mainstream DMs now consume increasingly large amounts of data. For example, training a Stable Diffusion model requires billions of image-text pairs. This enormous data requirement poses significant challenges for training large DMs due to high data acquisition costs and storage expenses. To alleviate this data burden, we propose a novel scenario: using existing DMs as data sources to train new DMs with any architecture. We refer to this scenario as Data-Free Knowledge Distillation for Diffusion Models (DKDM), where the generative ability of DMs is transferred to new ones in a data-free manner. To tackle this challenge, we make two main contributions. First, we introduce a DKDM objective that enables the training of new DMs via distillation, without requiring access to the data. Second, we develop a dynamic iterative distillation method that efficiently extracts time-domain knowledge from existing DMs, enabling direct retrieval of training data without the need for a prolonged generative process. To the best of our knowledge, we are the first to explore this scenario. Experimental results demonstrate that our data-free approach not only achieves competitive generative performance but also, in some instances, outperforms models trained with the entire dataset.
♻ ☆ Explainable AI for Classifying UTI Risk Groups Using a Real-World Linked EHR and Pathology Lab Dataset
The use of machine learning and AI on electronic health records (EHRs) holds substantial potential for clinical insight. However, this approach faces challenges due to data heterogeneity, sparsity, temporal misalignment, and limited labeled outcomes. In this context, we leverage a linked EHR dataset of approximately one million de-identified individuals from Bristol, North Somerset, and South Gloucestershire, UK, to characterize urinary tract infections (UTIs). We implemented a data pre-processing and curation pipeline that transforms the raw EHR data into a structured format suitable for developing predictive models focused on data fairness, accountability and transparency. Given the limited availability and biases of ground truth UTI outcomes, we introduce a UTI risk estimation framework informed by clinical expertise to estimate UTI risk across individual patient timelines. Pairwise XGBoost models are trained using this framework to differentiate UTI risk categories with explainable AI techniques applied to identify key predictors and support interpretability. Our findings reveal differences in clinical and demographic predictors across risk groups. While this study highlights the potential of AI-driven insights to support UTI clinical decision-making, further investigation of patient sub-strata and extensive validation are needed to ensure robustness and applicability in clinical practice.
♻ ☆ CS-Bench: A Comprehensive Benchmark for Large Language Models towards Computer Science Mastery ICLR 2025
Large language models (LLMs) have demonstrated significant potential in advancing various fields of research and society. However, the current community of LLMs overly focuses on benchmarks for analyzing specific foundational skills (e.g. mathematics and code generation), neglecting an all-round evaluation of the computer science field. To bridge this gap, we introduce CS-Bench, the first multilingual (English, Chinese, French, German) benchmark dedicated to evaluating the performance of LLMs in computer science. CS-Bench comprises approximately 10K meticulously curated test samples, covering 26 subfields across 4 key areas of computer science, encompassing various task forms and divisions of knowledge and reasoning. Utilizing CS-Bench, we conduct a comprehensive evaluation of over 30 mainstream LLMs, revealing the relationship between CS performance and model scales. We also quantitatively analyze the reasons for failures in existing LLMs and highlight directions for improvements, including knowledge supplementation and CS-specific reasoning. Further cross-capability experiments show a high correlation between LLMs' capabilities in computer science and their abilities in mathematics and coding. Moreover, expert LLMs specialized in mathematics and coding also demonstrate strong performances in several CS subfields. Looking ahead, we envision CS-Bench serving as a cornerstone for LLM applications in the CS field and paving new avenues in assessing LLMs' diverse reasoning capabilities. The CS-Bench data and evaluation code are available at https://github.com/csbench/csbench.
comment: Accepted at ICLR 2025
♻ ☆ SPAM: Spike-Aware Adam with Momentum Reset for Stable LLM Training
Large Language Models (LLMs) have demonstrated exceptional performance across diverse tasks, yet their training remains highly resource-intensive and susceptible to critical challenges such as training instability. A predominant source of this instability stems from gradient and loss spikes, which disrupt the learning process, often leading to costly interventions like checkpoint recovery and experiment restarts, further amplifying inefficiencies. This paper presents a comprehensive investigation into gradient spikes observed during LLM training, revealing their prevalence across multiple architectures and datasets. Our analysis shows that these spikes can be up to $1000\times$ larger than typical gradients, substantially deteriorating model performance. To address this issue, we propose Spike-Aware Adam with Momentum Reset SPAM, a novel optimizer designed to counteract gradient spikes through momentum reset and spike-aware gradient clipping. Extensive experiments, including both pre-training and fine-tuning, demonstrate that SPAM consistently surpasses Adam and its variants across various tasks, including (1) LLM pre-training from 60M to 1B, (2) 4-bit LLM pre-training,(3) reinforcement learning, and (4) Time Series Forecasting. Additionally, SPAM facilitates memory-efficient training by enabling sparse momentum, where only a subset of momentum terms are maintained and updated. When operating under memory constraints, SPAM outperforms state-of-the-art memory-efficient optimizers such as GaLore and Adam-Mini. Our work underscores the importance of mitigating gradient spikes in LLM training and introduces an effective optimization strategy that enhances both training stability and resource efficiency at scale. Code is available at https://github.com/TianjinYellow/SPAM-Optimizer.git
♻ ☆ SPHERE: Unveiling Spatial Blind Spots in Vision-Language Models Through Hierarchical Evaluation
Current vision-language models may grasp basic spatial cues and simple directions (e.g. left, right, front, back), but struggle with the multi-dimensional spatial reasoning necessary for human-like understanding and real-world applications. To address this gap, we develop SPHERE (Spatial Perception and Hierarchical Evaluation of REasoning), a hierarchical evaluation framework supported by a new human-annotated dataset. SPHERE systematically probes models across increasing levels of complexity, from fundamental skills to multi-skill integration and high-level reasoning that combines spatial, visual, and logical understanding. Benchmark evaluation of state-of-the-art models reveals significant deficiencies, especially in reasoning about distance and proximity, understanding both egocentric and allocentric perspectives, and applying spatial logic in physical contexts. These findings expose critical blind spots in existing models and underscore the need for more advanced spatial reasoning techniques, driving the development of vision-language models that align more closely with human spatial cognition. The SPHERE benchmark is available at https://github.com/zwenyu/SPHERE-VLM.
♻ ☆ GOAT-Bench: Safety Insights to Large Multimodal Models through Meme-Based Social Abuse
The exponential growth of social media has profoundly transformed how information is created, disseminated, and absorbed, exceeding any precedent in the digital age. Regrettably, this explosion has also spawned a significant increase in the online abuse of memes. Evaluating the negative impact of memes is notably challenging, owing to their often subtle and implicit meanings, which are not directly conveyed through the overt text and image. In light of this, large multimodal models (LMMs) have emerged as a focal point of interest due to their remarkable capabilities in handling diverse multimodal tasks. In response to this development, our paper aims to thoroughly examine the capacity of various LMMs (e.g., GPT-4o) to discern and respond to the nuanced aspects of social abuse manifested in memes. We introduce the comprehensive meme benchmark, GOAT-Bench, comprising over 6K varied memes encapsulating themes such as implicit hate speech, sexism, and cyberbullying, etc. Utilizing GOAT-Bench, we delve into the ability of LMMs to accurately assess hatefulness, misogyny, offensiveness, sarcasm, and harmful content. Our extensive experiments across a range of LMMs reveal that current models still exhibit a deficiency in safety awareness, showing insensitivity to various forms of implicit abuse. We posit that this shortfall represents a critical impediment to the realization of safe artificial intelligence. The GOAT-Bench and accompanying resources are publicly accessible at https://goatlmm.github.io/, contributing to ongoing research in this vital field.
comment: The first work to benchmark Large Multimodal Models in safety insight on social media
♻ ☆ AdEval: Alignment-based Dynamic Evaluation to Mitigate Data Contamination in Large Language Models
As Large Language Models (LLMs) are pretrained on massive-scale corpora, the issue of data contamination has become increasingly severe, leading to potential overestimation of model performance during evaluation. To address this, we propose AdEval (Alignment-based Dynamic Evaluation), a dynamic data evaluation method aimed at mitigating the impact of data contamination on evaluation reliability. AdEval extracts key knowledge points and main ideas to align dynamically generated questions with static data's core concepts. It also leverages online search to provide detailed explanations of related knowledge points, thereby creating high-quality evaluation samples with robust knowledge support. Furthermore, AdEval incorporates mechanisms to control the number and complexity of questions, enabling dynamic alignment and flexible adjustment. This ensures that the generated questions align with the complexity of static data while supporting varied complexity levels. Based on Bloom's taxonomy, AdEval conducts a multi-dimensional evaluation of LLMs across six cognitive levels: remembering, understanding, applying, analyzing, evaluating, and creating. Experimental results on multiple datasets demonstrate that AdEval effectively reduces the impact of data contamination on evaluation outcomes, enhancing both the fairness and reliability of the evaluation process.
comment: There are serious academic problems in this paper, such as data falsification and plagiarism in the method of the paper
♻ ☆ Progressive Curriculum Learning with Scale-Enhanced U-Net for Continuous Airway Segmentation
Continuous and accurate segmentation of airways in chest CT images is essential for preoperative planning and real-time bronchoscopy navigation. Despite advances in deep learning for medical image segmentation, maintaining airway continuity remains a challenge, particularly due to intra-class imbalance between large and small branches and blurred CT scan details. To address these challenges, we propose a progressive curriculum learning pipeline and a Scale-Enhanced U-Net (SE-UNet) to enhance segmentation continuity. Specifically, our progressive curriculum learning pipeline consists of three stages: extracting main airways, identifying small airways, and repairing discontinuities. The cropping sampling strategy in each stage reduces feature interference between airways of different scales, effectively addressing the challenge of intra-class imbalance. In the third training stage, we present an Adaptive Topology-Responsive Loss (ATRL) to guide the network to focus on airway continuity. The progressive training pipeline shares the same SE-UNet, integrating multi-scale inputs and Detail Information Enhancers (DIEs) to enhance information flow and effectively capture the intricate details of small airways. Additionally, we propose a robust airway tree parsing method and hierarchical evaluation metrics to provide more clinically relevant and precise analysis. Experiments on both in-house and public datasets demonstrate that our method outperforms existing approaches, significantly improving the accuracy of small airways and the completeness of the airway tree. The code will be released upon publication.
♻ ☆ Generative AI Policies under the Microscope: How CS Conferences Are Navigating the New Frontier in Scholarly Writing
As the use of Generative AI (Gen-AI) in scholarly writing and peer reviews continues to rise, it is essential for the computing field to establish and adopt clear Gen-AI policies. This study examines the landscape of Gen-AI policies across 64 major Computer Science conferences and offers recommendations for promoting more effective and responsible use of Gen-AI in the field.
comment: Accepted and to appear in Communications of the ACM (CACM) in 2025
♻ ☆ LLM Whisperer: An Inconspicuous Attack to Bias LLM Responses
Writing effective prompts for large language models (LLM) can be unintuitive and burdensome. In response, services that optimize or suggest prompts have emerged. While such services can reduce user effort, they also introduce a risk: the prompt provider can subtly manipulate prompts to produce heavily biased LLM responses. In this work, we show that subtle synonym replacements in prompts can increase the likelihood (by a difference up to 78%) that LLMs mention a target concept (e.g., a brand, political party, nation). We substantiate our observations through a user study, showing that our adversarially perturbed prompts 1) are indistinguishable from unaltered prompts by humans, 2) push LLMs to recommend target concepts more often, and 3) make users more likely to notice target concepts, all without arousing suspicion. The practicality of this attack has the potential to undermine user autonomy. Among other measures, we recommend implementing warnings against using prompts from untrusted parties.
♻ ☆ Fast Training of Sinusoidal Neural Fields via Scaling Initialization ICLR 2025
Neural fields are an emerging paradigm that represent data as continuous functions parameterized by neural networks. Despite many advantages, neural fields often have a high training cost, which prevents a broader adoption. In this paper, we focus on a popular family of neural fields, called sinusoidal neural fields (SNFs), and study how it should be initialized to maximize the training speed. We find that the standard initialization scheme for SNFs -- designed based on the signal propagation principle -- is suboptimal. In particular, we show that by simply multiplying each weight (except for the last layer) by a constant, we can accelerate SNF training by 10$\times$. This method, coined $\textit{weight scaling}$, consistently provides a significant speedup over various data domains, allowing the SNFs to train faster than more recently proposed architectures. To understand why the weight scaling works well, we conduct extensive theoretical and empirical analyses which reveal that the weight scaling not only resolves the spectral bias quite effectively but also enjoys a well-conditioned optimization trajectory.
comment: ICLR 2025
♻ ☆ Representation Learning of Point Cloud Upsampling in Global and Local Inputs
In recent years, point cloud upsampling has been widely applied in fields such as 3D reconstruction. Our study investigates the factors influencing point cloud upsampling on both global and local levels through representation learning. Specifically, the paper inputs global and local information of the same point cloud model object into two encoders to extract these features, fuses them, and then feeds the combined features into an upsampling decoder. The goal is to address issues of sparsity and noise in point clouds by leveraging prior knowledge from both global and local inputs. And the proposed framework can be applied to any state-of-the-art point cloud upsampling neural network. Experiments were conducted on a series of autoencoder-based models utilizing deep learning, yielding interpretability for both global and local inputs, and it has been proven in the results that our proposed framework can further improve the upsampling effect in previous SOTA works. At the same time, the Saliency Map reflects the differences between global and local feature inputs, as well as the effectiveness of training with both inputs in parallel.
♻ ☆ The Explanation Necessity for Healthcare AI
Explainability is a critical factor in enhancing the trustworthiness and acceptance of artificial intelligence (AI) in healthcare, where decisions directly impact patient outcomes. Despite advancements in AI interpretability, clear guidelines on when and to what extent explanations are required in medical applications remain lacking. We propose a novel categorization system comprising four classes of explanation necessity (self-explainable, semi-explainable, non-explainable, and new-patterns discovery), guiding the required level of explanation; whether local (patient or sample level), global (cohort or dataset level), or both. To support this system, we introduce a mathematical formulation that incorporates three key factors: (i) robustness of the evaluation protocol, (ii) variability of expert observations, and (iii) representation dimensionality of the application. This framework provides a practical tool for researchers to determine the appropriate depth of explainability needed, addressing the critical question: When does an AI medical application need to be explained, and at what level of detail?
comment: accepted paper in IEEE CITREx 2025 : IEEE Symposium on Explainable, Responsible, and Trustworthy Computational Intelligence
♻ ☆ TSPRank: Bridging Pairwise and Listwise Methods with a Bilinear Travelling Salesman Model KDD 2025
Traditional Learning-To-Rank (LETOR) approaches, including pairwise methods like RankNet and LambdaMART, often fall short by solely focusing on pairwise comparisons, leading to sub-optimal global rankings. Conversely, deep learning based listwise methods, while aiming to optimise entire lists, require complex tuning and yield only marginal improvements over robust pairwise models. To overcome these limitations, we introduce Travelling Salesman Problem Rank (TSPRank), a hybrid pairwise-listwise ranking method. TSPRank reframes the ranking problem as a Travelling Salesman Problem (TSP), a well-known combinatorial optimisation challenge that has been extensively studied for its numerous solution algorithms and applications. This approach enables the modelling of pairwise relationships and leverages combinatorial optimisation to determine the listwise ranking. This approach can be directly integrated as an additional component into embeddings generated by existing backbone models to enhance ranking performance. Our extensive experiments across three backbone models on diverse tasks, including stock ranking, information retrieval, and historical events ordering, demonstrate that TSPRank significantly outperforms both pure pairwise and listwise methods. Our qualitative analysis reveals that TSPRank's main advantage over existing methods is its ability to harness global information better while ranking. TSPRank's robustness and superior performance across different domains highlight its potential as a versatile and effective LETOR solution.
comment: Accepted to ACM SIGKDD 2025 Research Track. The code and preprocessed data are available at https://github.com/waylonli/TSPRank-KDD2025
♻ ☆ Learnable Expansion of Graph Operators for Multi-Modal Feature Fusion ICLR 2025
In computer vision tasks, features often come from diverse representations, domains (e.g., indoor and outdoor), and modalities (e.g., text, images, and videos). Effectively fusing these features is essential for robust performance, especially with the availability of powerful pre-trained models like vision-language models. However, common fusion methods, such as concatenation, element-wise operations, and non-linear techniques, often fail to capture structural relationships, deep feature interactions, and suffer from inefficiency or misalignment of features across domains or modalities. In this paper, we shift from high-dimensional feature space to a lower-dimensional, interpretable graph space by constructing relationship graphs that encode feature relationships at different levels, e.g., clip, frame, patch, token, etc. To capture deeper interactions, we expand graphs through iterative graph relationship updates and introduce a learnable graph fusion operator to integrate these expanded relationships for more effective fusion. Our approach is relationship-centric, operates in a homogeneous space, and is mathematically principled, resembling element-wise relationship score aggregation via multilinear polynomials. We demonstrate the effectiveness of our graph-based fusion method on video anomaly detection, showing strong performance across multi-representational, multi-modal, and multi-domain feature fusion tasks.
comment: Accepted at the Thirteenth International Conference on Learning Representations (ICLR 2025)
♻ ☆ Super(ficial)-alignment: Strong Models May Deceive Weak Models in Weak-to-Strong Generalization ICLR 2025
Superalignment, where humans act as weak supervisors for superhuman models, has become a crucial problem with the rapid development of Large Language Models (LLMs). Recent work has preliminarily studied this problem by using weak models to supervise strong models, and discovered that weakly supervised strong students can consistently outperform weak teachers towards the alignment target, leading to a weak-to-strong generalization phenomenon. However, we are concerned that behind such a promising phenomenon, whether there exists an issue of weak-to-strong deception, where strong models deceive weak models by exhibiting well-aligned in areas known to weak models but producing misaligned behaviors in cases weak models do not know. We take an initial step towards exploring this security issue in a specific but realistic multi-objective alignment case, where there may be some alignment targets conflicting with each other (e.g., helpfulness v.s. harmlessness). We aim to explore whether, in such cases, strong models might deliberately make mistakes in areas known to them but unknown to weak models within one alignment dimension, in exchange for a higher reward in another dimension. Through extensive experiments in both the reward modeling and preference optimization scenarios, we find: (1) The weak-to-strong deception phenomenon exists across all settings. (2) The deception intensifies as the capability gap between weak and strong models increases. (3) Bootstrapping with an intermediate model can mitigate the deception to some extent, though its effectiveness remains limited. Our work highlights the urgent need to pay more attention to the true reliability of superalignment.
comment: Accepted at ICLR 2025, camera-ready version
♻ ☆ Discovering physical laws with parallel combinatorial tree search
Symbolic regression plays a crucial role in modern scientific research thanks to its capability of discovering concise and interpretable mathematical expressions from data. A grand challenge lies in the arduous search for parsimonious and generalizable mathematical formulas, in an infinite search space, while intending to fit the training data. Existing algorithms have faced a critical bottleneck of accuracy and efficiency over a decade when handling problems of complexity, which essentially hinders the pace of applying symbolic regression for scientific exploration across interdisciplinary domains. To this end, we introduce a parallel combinatorial tree search (PCTS) model to efficiently distill generic mathematical expressions from limited data. Through a series of extensive experiments, we demonstrate the superior accuracy and efficiency of PCTS for equation discovery, which greatly outperforms the state-of-the-art baseline models on over 200 synthetic and experimental datasets (e.g., lifting its performance by up to 99% accuracy improvement and one-order of magnitude speed up). PCTS represents a key advance in accurate and efficient data-driven discovery of symbolic, interpretable models (e.g., underlying physical laws) and marks a pivotal transition towards scalable symbolic learning.
comment: Added new author
♻ ☆ Pragmatic Reasoning improves LLM Code Generation
Large Language Models (LLMs) have demonstrated impressive potential in translating natural language (NL) instructions into program code. However, user instructions often contain inherent ambiguities, making it challenging for LLMs to generate code that accurately reflects the user's true intent. To address this challenge, researchers have proposed to produce multiple candidates of the program code and then rerank them to identify the best solution. In this paper, we propose CodeRSA, a novel code candidate reranking mechanism built upon the Rational Speech Act (RSA) framework, designed to guide LLMs toward more comprehensive pragmatic reasoning about user intent. We evaluate CodeRSA using one of the latest LLMs on a popular code generation dataset. Our experiment results show that CodeRSA consistently outperforms common baselines, surpasses the state-of-the-art approach in most cases, and demonstrates robust overall performance. These findings underscore the effectiveness of integrating pragmatic reasoning into code candidate reranking, offering a promising direction for enhancing code generation quality in LLMs.
♻ ☆ Training-Free Exponential Context Extension via Cascading KV Cache
The transformer's context window is vital for tasks such as few-shot learning and conditional generation as it preserves previous tokens for active memory. However, as the context lengths increase, the computational costs grow quadratically, hindering the deployment of large language models (LLMs) in real-world, long sequence scenarios. Although some recent key-value caching (KV Cache) methods offer linear inference complexity, they naively manage the stored context, prematurely evicting tokens and losing valuable information. Moreover, they lack an optimized prefill/prompt stage strategy, resulting in higher latency than even quadratic attention for realistic context sizes. In response, we introduce a novel mechanism that leverages cascading sub-cache buffers to selectively retain the most relevant tokens, enabling the model to maintain longer context histories without increasing the cache size. Our approach outperforms linear caching baselines across key benchmarks, including streaming perplexity, question answering, book summarization, and passkey retrieval, where it retains better retrieval accuracy at 1M tokens after four doublings of the cache size of 65K. Additionally, our method reduces prefill stage latency by a factor of 6.8 when compared to flash attention on 1M tokens. These innovations not only enhance the computational efficiency of LLMs but also pave the way for their effective deployment in resource-constrained environments, enabling large-scale, real-time applications with significantly reduced latency.
♻ ☆ LLM2: Let Large Language Models Harness System 2 Reasoning NAACL 2025
Large language models (LLMs) have exhibited impressive capabilities across a myriad of tasks, yet they occasionally yield undesirable outputs. We posit that these limitations are rooted in the foundational autoregressive architecture of LLMs, which inherently lacks mechanisms for differentiating between desirable and undesirable results. Drawing inspiration from the dual-process theory of human cognition, we introduce LLM2, a novel framework that combines an LLM (System 1) with a process-based verifier (System 2). Within LLM2, the LLM is responsible for generating plausible candidates, while the verifier provides timely process-based feedback to distinguish desirable and undesirable outputs. The verifier is trained with a pairwise comparison loss on synthetic process-supervision data generated through our token quality exploration strategy. Empirical results on mathematical reasoning benchmarks substantiate the efficacy of LLM2, exemplified by an accuracy enhancement from 50.3 to 57.8 (+7.5) for Llama3-1B on GSM8K. Furthermore, when combined with self-consistency, LLM2 achieves additional improvements, boosting major@20 accuracy from 56.2 to 70.2 (+14.0).
comment: Accepted to NAACL 2025 Main Conference
♻ ☆ Behind the Tip of Efficiency: Uncovering the Submerged Threats of Jailbreak Attacks in Small Language Models
Small language models (SLMs) have become increasingly prominent in the deployment on edge devices due to their high efficiency and low computational cost. While researchers continue to advance the capabilities of SLMs through innovative training strategies and model compression techniques, the security risks of SLMs have received considerably less attention compared to large language models (LLMs).To fill this gap, we provide a comprehensive empirical study to evaluate the security performance of 13 state-of-the-art SLMs under various jailbreak attacks. Our experiments demonstrate that most SLMs are quite susceptible to existing jailbreak attacks, while some of them are even vulnerable to direct harmful prompts.To address the safety concerns, we evaluate several representative defense methods and demonstrate their effectiveness in enhancing the security of SLMs. We further analyze the potential security degradation caused by different SLM techniques including architecture compression, quantization, knowledge distillation, and so on. We expect that our research can highlight the security challenges of SLMs and provide valuable insights to future work in developing more robust and secure SLMs.
comment: 12 pages. 6 figures
♻ ☆ ForecastBench: A Dynamic Benchmark of AI Forecasting Capabilities
Forecasts of future events are essential inputs into informed decision-making. Machine learning (ML) systems have the potential to deliver forecasts at scale, but there is no framework for evaluating the accuracy of ML systems on a standardized set of forecasting questions. To address this gap, we introduce ForecastBench: a dynamic benchmark that evaluates the accuracy of ML systems on an automatically generated and regularly updated set of 1,000 forecasting questions. To avoid any possibility of data leakage, ForecastBench is comprised solely of questions about future events that have no known answer at the time of submission. We quantify the capabilities of current ML systems by collecting forecasts from expert (human) forecasters, the general public, and LLMs on a random subset of questions from the benchmark ($N=200$). While LLMs have achieved super-human performance on many benchmarks, they perform less well here: expert forecasters outperform the top-performing LLM ($p$-value $<0.001$). We display system and human scores in a public leaderboard at www.forecastbench.org.
♻ ☆ Highly Efficient Self-Adaptive Reward Shaping for Reinforcement Learning
Reward shaping is a technique in reinforcement learning that addresses the sparse-reward problem by providing more frequent and informative rewards. We introduce a self-adaptive and highly efficient reward shaping mechanism that incorporates success rates derived from historical experiences as shaped rewards. The success rates are sampled from Beta distributions, which dynamically evolve from uncertain to reliable values as data accumulates. Initially, the shaped rewards exhibit more randomness to encourage exploration, while over time, the increasing certainty enhances exploitation, naturally balancing exploration and exploitation. Our approach employs Kernel Density Estimation (KDE) combined with Random Fourier Features (RFF) to derive the Beta distributions, providing a computationally efficient, non-parametric, and learning-free solution for high-dimensional continuous state spaces. Our method is validated on various tasks with extremely sparse rewards, demonstrating notable improvements in sample efficiency and convergence stability over relevant baselines.
♻ ☆ Explore the Reasoning Capability of LLMs in the Chess Testbed NAACL2025
Reasoning is a central capability of human intelligence. In recent years, with the advent of large-scale datasets, pretrained large language models have emerged with new capabilities, including reasoning. However, these models still struggle with long-term, complex reasoning tasks, such as playing chess. Based on the observation that expert chess players employ a dual approach combining long-term strategic play with short-term tactical play along with language explanation, we propose improving the reasoning capability of large language models in chess by integrating annotated strategy and tactic. Specifically, we collect a dataset named MATE, which consists of 1 million chess positions with candidate moves annotated by chess experts for strategy and tactics. We finetune the LLaMA-3-8B model and compare it against state-of-the-art commercial language models in the task of selecting better chess moves. Our experiments show that our models perform better than GPT, Claude, and Gemini models. We find that language explanations can enhance the reasoning capability of large language models.
comment: NAACL2025 Main Conference. Data and models are available: https://mate-chess.github.io/
♻ ☆ Eliciting In-context Retrieval and Reasoning for Long-context Large Language Models
Recent advancements in long-context language models (LCLMs) promise to transform Retrieval-Augmented Generation (RAG) by simplifying pipelines. With their expanded context windows, LCLMs can process entire knowledge bases and perform retrieval and reasoning directly -- a capability we define as In-Context Retrieval and Reasoning (ICR^2). However, existing benchmarks like LOFT often overestimate LCLM performance by providing overly simplified contexts. To address this, we introduce ICR^2, a benchmark that evaluates LCLMs in more realistic scenarios by including confounding passages retrieved with strong retrievers. We then propose three methods to enhance LCLM performance: (1) retrieve-then-generate fine-tuning, (2) retrieval-attention-probing, which uses attention heads to filter and de-noise long contexts during decoding, and (3) joint retrieval head training alongside the generation head. Our evaluation of five well-known LCLMs on LOFT and ICR^2 demonstrates significant gains with our best approach applied to Mistral-7B: +17 and +15 points by Exact Match on LOFT, and +13 and +2 points on ICR^2, compared to vanilla RAG and supervised fine-tuning, respectively. It even outperforms GPT-4-Turbo on most tasks despite being a much smaller model.
♻ ☆ HVI: A New Color Space for Low-light Image Enhancement
Low-Light Image Enhancement (LLIE) is a crucial computer vision task that aims to restore detailed visual information from corrupted low-light images. Many existing LLIE methods are based on standard RGB (sRGB) space, which often produce color bias and brightness artifacts due to inherent high color sensitivity in sRGB. While converting the images using Hue, Saturation and Value (HSV) color space helps resolve the brightness issue, it introduces significant red and black noise artifacts. To address this issue, we propose a new color space for LLIE, namely Horizontal/Vertical-Intensity (HVI), defined by polarized HS maps and learnable intensity. The former enforces small distances for red coordinates to remove the red artifacts, while the latter compresses the low-light regions to remove the black artifacts. To fully leverage the chromatic and intensity information, a novel Color and Intensity Decoupling Network (CIDNet) is further introduced to learn accurate photometric mapping function under different lighting conditions in the HVI space. Comprehensive results from benchmark and ablation experiments show that the proposed HVI color space with CIDNet outperforms the state-of-the-art methods on 10 datasets. The code is available at https://github.com/Fediory/HVI-CIDNet.
comment: Qingsen Yan, Yixu Feng, and Cheng Zhang contributed equally to this work
♻ ☆ Immunocto: a massive immune cell database auto-generated for histopathology
With the advent of novel cancer treatment options such as immunotherapy, studying the tumour immune micro-environment (TIME) is crucial to inform on prognosis and understand potential response to therapeutic agents. A key approach to characterising the TIME may be through combining (1) digitised microscopic high-resolution optical images of hematoxylin and eosin (H&E) stained tissue sections obtained in routine histopathology examinations with (2) automated immune cell detection and classification methods. In this work, we introduce a workflow to automatically generate robust single cell contours and labels from dually stained tissue sections with H&E and multiplexed immunofluorescence (IF) markers. The approach harnesses the Segment Anything Model and requires minimal human intervention compared to existing single cell databases. With this methodology, we create Immunocto, a massive, multi-million automatically generated database of 6,848,454 human cells and objects, including 2,282,818 immune cells distributed across 4 subtypes: CD4$^+$ T cell lymphocytes, CD8$^+$ T cell lymphocytes, CD20$^+$ B cell lymphocytes, and CD68$^+$/CD163$^+$ macrophages. For each cell, we provide a 64$\times$64 pixels$^2$ H&E image at $\mathbf{40}\times$ magnification, along with a binary mask of the nucleus and a label. The database, which is made publicly available, can be used to train models to study the TIME on routine H&E slides. We show that deep learning models trained on Immunocto result in state-of-the-art performance for lymphocyte detection. The approach demonstrates the benefits of using matched H&E and IF data to generate robust databases for computational pathology applications.
♻ ☆ Cost-Effective, High-Performance Open-Source LLMs via Optimized Context Retrieval
Large Language Models (LLMs) in healthcare promise transformation, yet adoption is limited by concerns over factual accuracy and the high cost of proprietary models. This study demonstrates that optimized context retrieval unlocks cost-effective, high-performance healthcare AI using open-source LLMs, achieving a significantly improved cost-accuracy Pareto frontier for medical question answering and showcasing that open models can rival proprietary systems at a fraction of the cost. A key contribution is OpenMedQA, a novel benchmark for open-ended medical question answering that overcomes the limitations of multiple-choice formats - formats that we show lead to performance degradation in open-ended settings and often lack clinical realism. Further contributions include: (1) practical guidelines for implementing optimized context retrieval; (2) empirical validation of enhanced cost-effectiveness via the improved Pareto frontier; (3) the introduction of OpenMedQA for rigorous evaluation of open-ended medical QA; and (4) the release of prompt_engine alongside CoT/ToT/Thinking databases as community resources for cost-effective healthcare AI. Advancing optimized retrieval and open-ended QA benchmarking, we pave the way for more accessible and impactful LLM-powered healthcare solutions. All the materials have been made public.
comment: 14 pages, 3 figures, 5 tables
♻ ☆ ManiSkill-HAB: A Benchmark for Low-Level Manipulation in Home Rearrangement Tasks
High-quality benchmarks are the foundation for embodied AI research, enabling significant advancements in long-horizon navigation, manipulation and rearrangement tasks. However, as frontier tasks in robotics get more advanced, they require faster simulation speed, more intricate test environments, and larger demonstration datasets. To this end, we present MS-HAB, a holistic benchmark for low-level manipulation and in-home object rearrangement. First, we provide a GPU-accelerated implementation of the Home Assistant Benchmark (HAB). We support realistic low-level control and achieve over 3x the speed of prior magical grasp implementations at a fraction of the GPU memory usage. Second, we train extensive reinforcement learning (RL) and imitation learning (IL) baselines for future work to compare against. Finally, we develop a rule-based trajectory filtering system to sample specific demonstrations from our RL policies which match predefined criteria for robot behavior and safety. Combining demonstration filtering with our fast environments enables efficient, controlled data generation at scale.
♻ ☆ HybridGS: Decoupling Transients and Statics with 2D and 3D Gaussian Splatting CVPR 2025
Generating high-quality novel view renderings of 3D Gaussian Splatting (3DGS) in scenes featuring transient objects is challenging. We propose a novel hybrid representation, termed as HybridGS, using 2D Gaussians for transient objects per image and maintaining traditional 3D Gaussians for the whole static scenes. Note that, the 3DGS itself is better suited for modeling static scenes that assume multi-view consistency, but the transient objects appear occasionally and do not adhere to the assumption, thus we model them as planar objects from a single view, represented with 2D Gaussians. Our novel representation decomposes the scene from the perspective of fundamental viewpoint consistency, making it more reasonable. Additionally, we present a novel multi-view regulated supervision method for 3DGS that leverages information from co-visible regions, further enhancing the distinctions between the transients and statics. Then, we propose a straightforward yet effective multi-stage training strategy to ensure robust training and high-quality view synthesis across various settings. Experiments on benchmark datasets show our state-of-the-art performance of novel view synthesis in both indoor and outdoor scenes, even in the presence of distracting elements.
comment: Accpeted by CVPR 2025. Project page: https://gujiaqivadin.github.io/hybridgs/ Code: https://github.com/Yeyuqqwx/HybridGS Data: https://huggingface.co/Eto63277/HybridGS/tree/main
♻ ☆ USER-VLM 360: Personalized Vision Language Models with User-aware Tuning for Social Human-Robot Interactions
The integration of vision-language models into robotic systems constitutes a significant advancement in enabling machines to interact with their surroundings in a more intuitive manner. While VLMs offer rich multimodal reasoning, existing approaches lack user-specific adaptability, often relying on generic interaction paradigms that fail to account for individual behavioral, contextual, or socio-emotional nuances. When customization is attempted, ethical concerns arise from unmitigated biases in user data, risking exclusion or unfair treatment. To address these dual challenges, we propose User-VLM 360{\deg}, a holistic framework integrating multimodal user modeling with bias-aware optimization. Our approach features: (1) user-aware tuning that adapts interactions in real time using visual-linguistic signals; (2) bias mitigation via preference optimization; and (3) curated 360{\deg} socio-emotive interaction datasets annotated with demographic, emotion, and relational metadata. Evaluations across eight benchmarks demonstrate state-of-the-art results: +35.3% F1 in personalized VQA, +47.5% F1 in facial features understanding, 15% bias reduction, and 30X speedup over baselines. Ablation studies confirm component efficacy, and deployment on the Pepper robot validates real-time adaptability across diverse users. We open-source parameter-efficient 3B/10B models and an ethical verification framework for responsible adaptation.
♻ ☆ Background-Aware Defect Generation for Robust Industrial Anomaly Detection
Detecting anomalies in industrial settings is challenging due to the scarcity of labeled anomalous data. Generative models can mitigate this issue by synthesizing realistic defect samples, but existing approaches often fail to model the crucial interplay between defects and their background. This oversight leads to unrealistic anomalies, especially in scenarios where contextual consistency is essential (i.e., logical anomaly). To address this, we propose a novel background-aware defect generation framework, where the background influences defect denoising without affecting the background itself by ensuring realistic synthesis while preserving structural integrity. Our method leverages a disentanglement loss to separate the background' s denoising process from the defect, enabling controlled defect synthesis through DDIM Inversion. We theoretically demonstrate that our approach maintains background fidelity while generating contextually accurate defects. Extensive experiments on MVTec AD and MVTec Loco benchmarks validate our mehtod's superiority over existing techniques in both defect generation quality and anomaly detection performance.
comment: 16 pages
♻ ☆ UniGEM: A Unified Approach to Generation and Property Prediction for Molecules
Molecular generation and molecular property prediction are both crucial for drug discovery, but they are often developed independently. Inspired by recent studies, which demonstrate that diffusion model, a prominent generative approach, can learn meaningful data representations that enhance predictive tasks, we explore the potential for developing a unified generative model in the molecular domain that effectively addresses both molecular generation and property prediction tasks. However, the integration of these tasks is challenging due to inherent inconsistencies, making simple multi-task learning ineffective. To address this, we propose UniGEM, the first unified model to successfully integrate molecular generation and property prediction, delivering superior performance in both tasks. Our key innovation lies in a novel two-phase generative process, where predictive tasks are activated in the later stages, after the molecular scaffold is formed. We further enhance task balance through innovative training strategies. Rigorous theoretical analysis and comprehensive experiments demonstrate our significant improvements in both tasks. The principles behind UniGEM hold promise for broader applications, including natural language processing and computer vision.
comment: 11 pages, 5 figures
♻ ☆ PFGuard: A Generative Framework with Privacy and Fairness Safeguards ICLR
Generative models must ensure both privacy and fairness for Trustworthy AI. While these goals have been pursued separately, recent studies propose to combine existing privacy and fairness techniques to achieve both goals. However, naively combining these techniques can be insufficient due to privacy-fairness conflicts, where a sample in a minority group may be represented in ways that support fairness, only to be suppressed for privacy. We demonstrate how these conflicts lead to adverse effects, such as privacy violations and unexpected fairness-utility tradeoffs. To mitigate these risks, we propose PFGuard, a generative framework with privacy and fairness safeguards, which simultaneously addresses privacy, fairness, and utility. By using an ensemble of multiple teacher models, PFGuard balances privacy-fairness conflicts between fair and private training stages and achieves high utility based on ensemble learning. Extensive experiments show that PFGuard successfully generates synthetic data on high-dimensional data while providing both DP guarantees and convergence in fair generative modeling.
comment: In Proceedings of the 13th International Conference on Learning Representations (ICLR), 2025
♻ ☆ Discrete Diffusion Schrödinger Bridge Matching for Graph Transformation ICLR 2025
Transporting between arbitrary distributions is a fundamental goal in generative modeling. Recently proposed diffusion bridge models provide a potential solution, but they rely on a joint distribution that is difficult to obtain in practice. Furthermore, formulations based on continuous domains limit their applicability to discrete domains such as graphs. To overcome these limitations, we propose Discrete Diffusion Schr\"odinger Bridge Matching (DDSBM), a novel framework that utilizes continuous-time Markov chains to solve the SB problem in a high-dimensional discrete state space. Our approach extends Iterative Markovian Fitting to discrete domains, and we have proved its convergence to the SB. Furthermore, we adapt our framework for the graph transformation, and show that our design choice of underlying dynamics characterized by independent modifications of nodes and edges can be interpreted as the entropy-regularized version of optimal transport with a cost function described by the graph edit distance. To demonstrate the effectiveness of our framework, we have applied DDSBM to molecular optimization in the field of chemistry. Experimental results demonstrate that DDSBM effectively optimizes molecules' property-of-interest with minimal graph transformation, successfully retaining other features. Source code is available $\href{https://github.com/junhkim1226/DDSBM}{here}$.
comment: Accepted to ICLR 2025
♻ ☆ Deep Learning-Driven Malware Classification with API Call Sequence Analysis and Concept Drift Handling
Malware classification in dynamic environments presents a significant challenge due to concept drift, where the statistical properties of malware data evolve over time, complicating detection efforts. To address this issue, we propose a deep learning framework enhanced with a genetic algorithm to improve malware classification accuracy and adaptability. Our approach incorporates mutation operations and fitness score evaluations within genetic algorithms to continuously refine the deep learning model, ensuring robustness against evolving malware threats. Experimental results demonstrate that this hybrid method significantly enhances classification performance and adaptability, outperforming traditional static models. Our proposed approach offers a promising solution for real-time malware classification in ever-changing cybersecurity landscapes.
♻ ☆ WorldCraft: Photo-Realistic 3D World Creation and Customization via LLM Agents
Constructing photorealistic virtual worlds has applications across various fields, but it often requires the extensive labor of highly trained professionals to operate conventional 3D modeling software. To democratize this process, we introduce WorldCraft, a system where large language model (LLM) agents leverage procedural generation to create indoor and outdoor scenes populated with objects, allowing users to control individual object attributes and the scene layout using intuitive natural language commands. In our framework, a coordinator agent manages the overall process and works with two specialized LLM agents to complete the scene creation: ForgeIt, which integrates an ever-growing manual through auto-verification to enable precise customization of individual objects, and ArrangeIt, which formulates hierarchical optimization problems to achieve a layout that balances ergonomic and aesthetic considerations. Additionally, our pipeline incorporates a trajectory control agent, allowing users to animate the scene and operate the camera through natural language interactions. Our system is also compatible with off-the-shelf deep 3D generators to enrich scene assets. Through evaluations and comparisons with state-of-the-art methods, we demonstrate the versatility of WorldCraft, ranging from single-object customization to intricate, large-scale interior and exterior scene designs. This system empowers non-professionals to bring their creative visions to life.
♻ ☆ Automatically Adaptive Conformal Risk Control
Science and technology have a growing need for effective mechanisms that ensure reliable, controlled performance from black-box machine learning algorithms. These performance guarantees should ideally hold conditionally on the input-that is the performance guarantees should hold, at least approximately, no matter what the input. However, beyond stylized discrete groupings such as ethnicity and gender, the right notion of conditioning can be difficult to define. For example, in problems such as image segmentation, we want the uncertainty to reflect the intrinsic difficulty of the test sample, but this may be difficult to capture via a conditioning event. Building on the recent work of Gibbs et al. [2023], we propose a methodology for achieving approximate conditional control of statistical risks-the expected value of loss functions-by adapting to the difficulty of test samples. Our framework goes beyond traditional conditional risk control based on user-provided conditioning events to the algorithmic, data-driven determination of appropriate function classes for conditioning. We apply this framework to various regression and segmentation tasks, enabling finer-grained control over model performance and demonstrating that by continuously monitoring and adjusting these parameters, we can achieve superior precision compared to conventional risk-control methods.
♻ ☆ Preference Elicitation for Offline Reinforcement Learning ICLR 2025
Applying reinforcement learning (RL) to real-world problems is often made challenging by the inability to interact with the environment and the difficulty of designing reward functions. Offline RL addresses the first challenge by considering access to an offline dataset of environment interactions labeled by the reward function. In contrast, Preference-based RL does not assume access to the reward function and learns it from preferences, but typically requires an online interaction with the environment. We bridge the gap between these frameworks by exploring efficient methods for acquiring preference feedback in a fully offline setup. We propose Sim-OPRL, an offline preference-based reinforcement learning algorithm, which leverages a learned environment model to elicit preference feedback on simulated rollouts. Drawing on insights from both the offline RL and the preference-based RL literature, our algorithm employs a pessimistic approach for out-of-distribution data, and an optimistic approach for acquiring informative preferences about the optimal policy. We provide theoretical guarantees regarding the sample complexity of our approach, dependent on how well the offline data covers the optimal policy. Finally, we demonstrate the empirical performance of Sim-OPRL in various environments.
comment: ICLR 2025
♻ ☆ Adaptive Width Neural Networks
For almost 70 years, researchers have mostly relied on hyper-parameter tuning to pick the width of neural networks' layers out of many possible choices. This paper challenges the status quo by introducing an easy-to-use technique to learn an unbounded width of a neural network's layer during training. The technique does not rely on alternate optimization nor hand-crafted gradient heuristics; rather, it jointly optimizes the width and the parameters of each layer via simple backpropagation. We apply the technique to a broad range of data domains such as tables, images, texts, and graphs, showing how the width adapts to the task's difficulty. By imposing a soft ordering of importance among neurons, it is possible to truncate the trained network at virtually zero cost, achieving a smooth trade-off between performance and compute resources in a structured way. Alternatively, one can dynamically compress the network with no performance degradation. In light of recent foundation models trained on large datasets, believed to require billions of parameters and where hyper-parameter tuning is unfeasible due to huge training costs, our approach stands as a viable alternative for width learning.
♻ ☆ Scaling Large-Language-Model-based Multi-Agent Collaboration ICLR-2025
Recent breakthroughs in large language model-driven autonomous agents have revealed that multi-agent collaboration often surpasses each individual through collective reasoning. Inspired by the neural scaling law--increasing neurons enhances performance, this study explores whether the continuous addition of collaborative agents can yield similar benefits. Technically, we utilize directed acyclic graphs to organize agents into a multi-agent collaboration network (MacNet), upon which their interactive reasoning is topologically orchestrated for autonomous task solving. Extensive evaluations reveal that it effectively supports collaboration among over a thousand agents, with irregular topologies outperforming regular ones. We also identify a collaborative scaling law--the overall performance follows a logistic growth pattern as agents scale, with collaborative emergence occurring earlier than traditional neural emergence. We speculate this may be because scaling agents catalyzes their multidimensional considerations during interactive reflection and refinement, thereby producing more comprehensive artifacts. The code is available at https://github.com/OpenBMB/ChatDev/tree/macnet.
comment: Accepted to ICLR-2025; https://github.com/OpenBMB/ChatDev/tree/macnet
♻ ☆ FACTS: A Factored State-Space Framework For World Modelling
World modelling is essential for understanding and predicting the dynamics of complex systems by learning both spatial and temporal dependencies. However, current frameworks, such as Transformers and selective state-space models like Mambas, exhibit limitations in efficiently encoding spatial and temporal structures, particularly in scenarios requiring long-term high-dimensional sequence modelling. To address these issues, we propose a novel recurrent framework, the \textbf{FACT}ored \textbf{S}tate-space (\textbf{FACTS}) model, for spatial-temporal world modelling. The FACTS framework constructs a graph-structured memory with a routing mechanism that learns permutable memory representations, ensuring invariance to input permutations while adapting through selective state-space propagation. Furthermore, FACTS supports parallel computation of high-dimensional sequences. We empirically evaluate FACTS across diverse tasks, including multivariate time series forecasting, object-centric world modelling, and spatial-temporal graph prediction, demonstrating that it consistently outperforms or matches specialised state-of-the-art models, despite its general-purpose world modelling design.
comment: Code released in https://github.com/NanboLi/FACTS
♻ ☆ Dreamweaver: Learning Compositional World Models from Pixels
Humans have an innate ability to decompose their perceptions of the world into objects and their attributes, such as colors, shapes, and movement patterns. This cognitive process enables us to imagine novel futures by recombining familiar concepts. However, replicating this ability in artificial intelligence systems has proven challenging, particularly when it comes to modeling videos into compositional concepts and generating unseen, recomposed futures without relying on auxiliary data, such as text, masks, or bounding boxes. In this paper, we propose Dreamweaver, a neural architecture designed to discover hierarchical and compositional representations from raw videos and generate compositional future simulations. Our approach leverages a novel Recurrent Block-Slot Unit (RBSU) to decompose videos into their constituent objects and attributes. In addition, Dreamweaver uses a multi-future-frame prediction objective to capture disentangled representations for dynamic concepts more effectively as well as static concepts. In experiments, we demonstrate our model outperforms current state-of-the-art baselines for world modeling when evaluated under the DCI framework across multiple datasets. Furthermore, we show how the modularized concept representations of our model enable compositional imagination, allowing the generation of novel videos by recombining attributes from previously seen objects. cun-bjy.github.io/dreamweaver-website
♻ ☆ Self-Training Elicits Concise Reasoning in Large Language Models
Chain-of-thought (CoT) reasoning has enabled large language models (LLMs) to utilize additional computation through intermediate tokens to solve complex tasks. However, we posit that typical reasoning traces contain many redundant tokens, incurring extraneous inference costs. Upon examination of the output distribution of current LLMs, we find evidence on their latent ability to reason more concisely, relative to their default behavior. To elicit this capability, we propose simple fine-tuning methods which leverage self-generated concise reasoning paths obtained by best-of-N sampling and few-shot conditioning, in task-specific settings. Our combined method achieves a 30% reduction in output tokens on average, across five model families on GSM8K and MATH, while maintaining average accuracy. By exploiting the fundamental stochasticity and in-context learning capabilities of LLMs, our self-training approach robustly elicits concise reasoning on a wide range of models, including those with extensive post-training. Code is available at https://github.com/TergelMunkhbat/concise-reasoning
comment: 23 pages, 10 figures, 18 tables
♻ ☆ Lotus at SemEval-2025 Task 11: RoBERTa with Llama-3 Generated Explanations for Multi-Label Emotion Classification SemEval 2025
This paper presents a novel approach for multi-label emotion detection, where Llama-3 is used to generate explanatory content that clarifies ambiguous emotional expressions, thereby enhancing RoBERTa's emotion classification performance. By incorporating explanatory context, our method improves F1-scores, particularly for emotions like fear, joy, and sadness, and outperforms text-only models. The addition of explanatory content helps resolve ambiguity, addresses challenges like overlapping emotional cues, and enhances multi-label classification, marking a significant advancement in emotion detection tasks.
comment: 8 pages , submitted to SemEval 2025-Task 11
♻ ☆ A non-ergodic framework for understanding emergent capabilities in Large Language Models
Large language models have emergent capabilities that come unexpectedly at scale, but we need a theoretical framework to explain why and how they emerge. We prove that language models are actually non-ergodic systems while providing a mathematical framework based on Stuart Kauffman's theory of the adjacent possible (TAP) to explain capability emergence. Our resource-constrained TAP equation demonstrates how architectural, training, and contextual constraints interact to shape model capabilities through phase transitions in semantic space. We prove through experiments with three different language models that capacities emerge through discrete transitions guided by constraint interactions and path-dependent exploration. This framework provides a theoretical basis for understanding emergence in language models and guides the development of architectures that can guide capability emergence.
♻ ☆ Bootstrapping Language-Guided Navigation Learning with Self-Refining Data Flywheel
Creating high-quality data for training robust language-instructed agents is a long-lasting challenge in embodied AI. In this paper, we introduce a Self-Refining Data Flywheel (SRDF) that generates high-quality and large-scale navigational instruction-trajectory pairs by iteratively refining the data pool through the collaboration between two models, the instruction generator and the navigator, without any human-in-the-loop annotation. Specifically, SRDF starts with using a base generator to create an initial data pool for training a base navigator, followed by applying the trained navigator to filter the data pool. This leads to higher-fidelity data to train a better generator, which can, in turn, produce higher-quality data for training the next-round navigator. Such a flywheel establishes a data self-refining process, yielding a continuously improved and highly effective dataset for large-scale language-guided navigation learning. Our experiments demonstrate that after several flywheel rounds, the navigator elevates the performance boundary from 70% to 78% SPL on the classic R2R test set, surpassing human performance (76%) for the first time. Meanwhile, this process results in a superior generator, evidenced by a SPICE increase from 23.5 to 26.2, better than all previous VLN instruction generation methods. Finally, we demonstrate the scalability of our method through increasing environment and instruction diversity, and the generalization ability of our pre-trained navigator across various downstream navigation tasks, surpassing state-of-the-art methods by a large margin in all cases.
comment: 28 pages, Code and data are available at https://github.com/wz0919/VLN-SRDF
♻ ☆ Detection of LLM-Paraphrased Code and Identification of the Responsible LLM Using Coding Style Features
Recent progress in large language models (LLMs) for code generation has raised serious concerns about intellectual property protection. Malicious users can exploit LLMs to produce paraphrased versions of proprietary code that closely resemble the original. While the potential for LLM-assisted code paraphrasing continues to grow, research on detecting it remains limited, underscoring an urgent need for detection system. We respond to this need by proposing two tasks. The first task is to detect whether code generated by an LLM is a paraphrased version of original human-written code. The second task is to identify which LLM is used to paraphrase the original code. For these tasks, we construct a dataset LPcode consisting of pairs of human-written code and LLM-paraphrased code using various LLMs. We statistically confirm significant differences in the coding styles of human-written and LLM-paraphrased code, particularly in terms of naming consistency, code structure, and readability. Based on these findings, we develop LPcodedec, a detection method that identifies paraphrase relationships between human-written and LLM-generated code, and discover which LLM is used for the paraphrasing. LPcodedec outperforms the best baselines in two tasks, improving F1 scores by 2.64% and 15.17% while achieving speedups of 1,343x and 213x, respectively. Our code and data are available at https://github.com/Shinwoo-Park/detecting_llm_paraphrased_code_via_coding_style_features.
♻ ☆ ChroKnowledge: Unveiling Chronological Knowledge of Language Models in Multiple Domains ICLR 2025
Large language models (LLMs) have brought significant changes to many aspects of our lives. However, assessing and ensuring their chronological knowledge remains challenging. Existing approaches fall short in addressing the temporal adaptability of knowledge, often relying on a fixed time-point view. To overcome this, we introduce ChroKnowBench, a benchmark dataset designed to evaluate chronologically accumulated knowledge across three key aspects: multiple domains, time dependency, temporal state. Our benchmark distinguishes between knowledge that evolves (e.g., personal history, scientific discoveries, amended laws) and knowledge that remain constant (e.g., mathematical truths, commonsense facts). Building on this benchmark, we present ChroKnowledge (Chronological Categorization of Knowledge), a novel sampling-based framework for evaluating LLMs' non-parametric chronological knowledge. Our evaluation led to the following observations: (1) The ability of eliciting temporal knowledge varies depending on the data format that model was trained on. (2) LLMs partially recall knowledge or show a cut-off at temporal boundaries rather than recalling all aspects of knowledge correctly. Thus, we apply our ChroKnowPrompt, an in-depth prompting to elicit chronological knowledge by traversing step-by-step through the surrounding time spans. We observe that it successfully recalls objects across both open-source and proprietary LLMs, demonstrating versatility, though it faces challenges with dynamic datasets and unstructured formats.
comment: ICLR 2025, 40 pages, 17 figures
♻ ☆ MIRAGE: Evaluating and Explaining Inductive Reasoning Process in Language Models ICLR 2025
Inductive reasoning is an essential capability for large language models (LLMs) to achieve higher intelligence, which requires the model to generalize rules from observed facts and then apply them to unseen examples. We present MIRAGE, a synthetic dataset that addresses the limitations of previous work, specifically the lack of comprehensive evaluation and flexible test data. In it, we evaluate LLMs' capabilities in both the inductive and deductive stages, allowing for flexible variation in input distribution, task scenario, and task difficulty to analyze the factors influencing LLMs' inductive reasoning. Based on these multi-faceted evaluations, we demonstrate that the LLM is a poor rule-based reasoner. In many cases, when conducting inductive reasoning, they do not rely on a correct rule to answer the unseen case. From the perspectives of different prompting methods, observation numbers, and task forms, models tend to consistently conduct correct deduction without correct inductive rules. Besides, we find that LLMs are good neighbor-based reasoners. In the inductive reasoning process, the model tends to focus on observed facts that are close to the current test example in feature space. By leveraging these similar examples, the model maintains strong inductive capabilities within a localized region, significantly improving its deductive performance.
comment: Accepted as ICLR 2025 conference paper (26 pages, 16 tables, 9 figures)
♻ ☆ ARS: Automatic Routing Solver with Large Language Models
Real-world Vehicle Routing Problems (VRPs) are characterized by a variety of practical constraints, making manual solver design both knowledge-intensive and time-consuming. Although there is increasing interest in automating the design of routing algorithms, existing research has explored only a limited array of VRP variants and fails to adequately address the complex and prevalent constraints encountered in real-world situations. To fill this gap, this paper introduces RoutBench, a benchmark of 1,000 VRP variants derived from 24 attributes, for evaluating the effectiveness of automatic routing solvers in addressing complex constraints. Along with RoutBench, we present the Automatic Routing Solver (ARS), which employs Large Language Model (LLM) agents to enhance a backbone algorithm framework by automatically generating constraint-aware heuristic code, based on problem descriptions and several representative constraints selected from a database. Our experiments show that ARS outperforms state-of-the-art LLM-based methods and commonly used solvers, automatically solving 91.67% of common VRPs and achieving at least a 30% improvement across all benchmarks.
comment: Authorship is under discussion; arXiv release will follow finalization
♻ ☆ Applications of Statistical Field Theory in Deep Learning
Deep learning algorithms have made incredible strides in the past decade yet due to the complexity of these algorithms, the science of deep learning remains in its early stages. Being an experimentally driven field, it is natural to seek a theory of deep learning within the physics paradigm. As deep learning is largely about learning functions and distributions over functions, statistical field theory, a rich and versatile toolbox for tackling complex distributions over functions (fields) is an obvious choice of formalism. Research efforts carried out in the past few years have demonstrated the ability of field theory to provide useful insights on generalization, implicit bias, and feature learning effects. Here we provide a pedagogical review of this emerging line of research.
♻ ☆ The Limited Impact of Medical Adaptation of Large Language and Vision-Language Models EMNLP 2024
Several recent works seek to adapt general-purpose large language models (LLMs) and vision-language models (VLMs) for medical applications through continued pretraining on publicly available biomedical corpora. These works typically claim that such domain-adaptive pretraining improves performance on various downstream medical tasks, such as answering medical exam questions. In this paper, we compare ten "medical" LLMs and two VLMs against their corresponding base models, arriving at a different conclusion: all medical VLMs and nearly all medical LLMs fail to consistently improve over their base models in the zero-/few-shot prompting and supervised fine-tuning regimes for medical question answering (QA). For instance, on clinical-note-based QA tasks in the 3-shot setting, medical LLMs outperform their base models in only 26.7% of cases, reach a (statistical) tie in 16.7% of cases, and perform significantly worse in the remaining 56.7% of cases. Our conclusions are based on (i) comparing each medical model directly against its base model; (ii) optimizing the prompts for each model separately in zero-/few-shot prompting; and (iii) accounting for statistical uncertainty in comparisons. Our findings suggest that state-of-the-art general-domain models may already exhibit strong medical knowledge and reasoning capabilities, and offer recommendations to strengthen the conclusions of future studies.
comment: Extended version of EMNLP 2024 paper arXiv:2411.04118. Includes additional results on clinical note QA tasks and supervised fine-tuning evaluations
♻ ☆ METAL: A Multi-Agent Framework for Chart Generation with Test-Time Scaling
Chart generation aims to generate code to produce charts satisfying the desired visual properties, e.g., texts, layout, color, and type. It has great potential to empower the automatic professional report generation in financial analysis, research presentation, education, and healthcare. In this work, we build a vision-language model (VLM) based multi-agent framework for effective automatic chart generation. Generating high-quality charts requires both strong visual design skills and precise coding capabilities that embed the desired visual properties into code. Such a complex multi-modal reasoning process is difficult for direct prompting of VLMs. To resolve these challenges, we propose METAL, a multi-agent framework that decomposes the task of chart generation into the iterative collaboration among specialized agents. METAL achieves 5.2% improvement over the current best result in the chart generation task. The METAL framework exhibits the phenomenon of test-time scaling: its performance increases monotonically as the logarithmic computational budget grows from 512 to 8192 tokens. In addition, we find that separating different modalities during the critique process of METAL boosts the self-correction capability of VLMs in the multimodal context.
♻ ☆ Tool-Planner: Task Planning with Clusters across Multiple Tools ICLR 2025
Large language models (LLMs) have demonstrated exceptional reasoning capabilities, enabling them to solve various complex problems. Recently, this ability has been applied to the paradigm of tool learning. Tool learning involves providing examples of tool usage and their corresponding functions, allowing LLMs to formulate plans and demonstrate the process of invoking and executing each tool. LLMs can address tasks that they cannot complete independently, thereby enhancing their potential across different tasks. However, this approach faces two key challenges. First, redundant error correction leads to unstable planning and long execution time. Additionally, designing a correct plan among multiple tools is also a challenge in tool learning. To address these issues, we propose Tool-Planner, a task-processing framework based on toolkits. Tool-Planner groups tools based on the API functions with the same function into a toolkit and allows LLMs to implement planning across the various toolkits. When a tool error occurs, the language model can reselect and adjust tools based on the toolkit. Experiments show that our approach demonstrates a high pass and win rate across different datasets and optimizes the planning scheme for tool learning in models such as GPT-4 and Claude 3, showcasing the potential of our method. Our code is public at https://github.com/OceannTwT/Tool-Planner
comment: ICLR 2025 Camera Ready version
♻ ☆ Bridging Context Gaps: Leveraging Coreference Resolution for Long Contextual Understanding ICLR 2025
Large language models (LLMs) have shown remarkable capabilities in natural language processing; however, they still face difficulties when tasked with understanding lengthy contexts and executing effective question answering. These challenges often arise due to the complexity and ambiguity present in longer texts. To enhance the performance of LLMs in such scenarios, we introduce the Long Question Coreference Adaptation (LQCA) method. This innovative framework focuses on coreference resolution tailored to long contexts, allowing the model to identify and manage references effectively. The LQCA method encompasses four key steps: resolving coreferences within sub-documents, computing the distances between mentions, defining a representative mention for coreference, and answering questions through mention replacement. By processing information systematically, the framework provides easier-to-handle partitions for LLMs, promoting better understanding. Experimental evaluations on a range of LLMs and datasets have yielded positive results, with a notable improvements on OpenAI-o1-mini and GPT-4o models, highlighting the effectiveness of leveraging coreference resolution to bridge context gaps in question answering. Our code is public at https://github.com/OceannTwT/LQCA.
comment: ICLR 2025 camera ready version, with updated metadata
♻ ☆ Scaling up Masked Diffusion Models on Text
Masked diffusion models (MDMs) have shown promise in language modeling, yet their scalability and effectiveness in core language tasks, such as text generation and language understanding, remain underexplored. This paper establishes the first scaling law for MDMs, demonstrating a scaling rate comparable to autoregressive models (ARMs) and a relatively small compute gap. Motivated by their scalability, we train a family of MDMs with up to 1.1 billion (B) parameters to systematically evaluate their performance against ARMs of comparable or larger sizes. Fully leveraging the probabilistic formulation of MDMs, we propose a simple yet effective unsupervised classifier-free guidance that effectively exploits large-scale unpaired data, boosting performance for conditional inference. In language understanding, the 1.1B MDM outperforms the 1.1B TinyLlama model trained on the same data across four of eight zero-shot benchmarks. Notably, it achieves competitive math reasoning ability with the 7B Llama-2 model on the GSM8K dataset. In text generation, MDMs with 16 times more pre-training time offer a flexible trade-off against ARMs with the accelerated sampling technique KV-Cache: MDMs match ARMs in performance while being 1.4 times faster during sampling. Moreover, MDMs address challenging tasks for ARMs by effectively handling bidirectional reasoning and adapting to temporal shifts in data. Notably, a 1.1B MDM breaks the reverse curse encountered by much larger ARMs with significantly more data and computation, such as 13B Llama-2 and 175B GPT-3. Our code is available at https://github.com/ML-GSAI/SMDM.
♻ ☆ AI-driven Inverse Design of Band-Tunable Mechanical Metastructures for Tailored Vibration Mitigation
On-demand vibration mitigation in a mechanical system needs the suitable design of multiscale metastructures, involving complex unit cells. In this study, immersing in the world of patterns and examining the structural details of some interesting motifs are extracted from the mechanical metastructure perspective. Nine interlaced metastructures are fabricated using additive manufacturing, and corresponding vibration characteristics are studied experimentally and numerically. Further, the band-gap modulation with metallic inserts in the honeycomb interlaced metastructures is also studied. AI-driven inverse design of such complex metastructures with a desired vibration mitigation profile can pave the way for addressing engineering challenges in high-precision manufacturing. The current inverse design methodologies are limited to designing simple periodic structures based on limited variants of unit cells. Therefore, a novel forward analysis model with multi-head FEM-inspired spatial attention (FSA) is proposed to learn the complex geometry of the metastructures and predict corresponding transmissibility. Subsequently, a multiscale Gaussian self-attention (MGSA) based inverse design model with Gaussian function for 1D spectrum position encoding is developed to produce a suitable metastructure for the desired vibration transmittance. The proposed AI framework demonstrated outstanding performance corresponding to the expected locally resonant bandgaps in a targeted frequency range.
Computation and Language 21
☆ Few-Shot, No Problem: Descriptive Continual Relation Extraction AAAI 2025
Few-shot Continual Relation Extraction is a crucial challenge for enabling AI systems to identify and adapt to evolving relationships in dynamic real-world domains. Traditional memory-based approaches often overfit to limited samples, failing to reinforce old knowledge, with the scarcity of data in few-shot scenarios further exacerbating these issues by hindering effective data augmentation in the latent space. In this paper, we propose a novel retrieval-based solution, starting with a large language model to generate descriptions for each relation. From these descriptions, we introduce a bi-encoder retrieval training paradigm to enrich both sample and class representation learning. Leveraging these enhanced representations, we design a retrieval-based prediction method where each sample "retrieves" the best fitting relation via a reciprocal rank fusion score that integrates both relation description vectors and class prototypes. Extensive experiments on multiple datasets demonstrate that our method significantly advances the state-of-the-art by maintaining robust performance across sequential tasks, effectively addressing catastrophic forgetting.
comment: Accepted to AAAI 2025
☆ Multi$^2$: Multi-Agent Test-Time Scalable Framework for Multi-Document Processing
Recent advances in test-time scaling have shown promising results in improving Large Language Models (LLMs) performance through strategic computation allocation during inference. While this approach has demonstrated strong performance improvements in logical and mathematical reasoning tasks, its application to natural language generation (NLG), especially summarization, has yet to be explored. Multi-Document Summarization (MDS) is a challenging task that focuses on extracting and synthesizing useful information from multiple lengthy documents. Unlike reasoning tasks, MDS requires a more nuanced approach to prompt design and ensemble, as there is no "best" prompt to satisfy diverse summarization requirements. To address this, we propose a novel framework that leverages inference-time scaling for this task. Precisely, we take prompt ensemble approach by leveraging various prompt to first generate candidate summaries and then ensemble them with an aggregator to produce a refined summary. We also introduce two new evaluation metrics: Consistency-Aware Preference (CAP) score and LLM Atom-Content-Unit (ACU) score, to enhance LLM's contextual understanding while mitigating its positional bias. Extensive experiments demonstrate the effectiveness of our approach in improving summary quality while identifying and analyzing the scaling boundaries in summarization tasks.
LLMs Have Rhythm: Fingerprinting Large Language Models Using Inter-Token Times and Network Traffic Analysis
As Large Language Models (LLMs) become increasingly integrated into many technological ecosystems across various domains and industries, identifying which model is deployed or being interacted with is critical for the security and trustworthiness of the systems. Current verification methods typically rely on analyzing the generated output to determine the source model. However, these techniques are susceptible to adversarial attacks, operate in a post-hoc manner, and may require access to the model weights to inject a verifiable fingerprint. In this paper, we propose a novel passive and non-invasive fingerprinting technique that operates in real-time and remains effective even under encrypted network traffic conditions. Our method leverages the intrinsic autoregressive generation nature of language models, which generate text one token at a time based on all previously generated tokens, creating a unique temporal pattern like a rhythm or heartbeat that persists even when the output is streamed over a network. We find that measuring the Inter-Token Times (ITTs)-time intervals between consecutive tokens-can identify different language models with high accuracy. We develop a Deep Learning (DL) pipeline to capture these timing patterns using network traffic analysis and evaluate it on 16 Small Language Models (SLMs) and 10 proprietary LLMs across different deployment scenarios, including local host machine (GPU/CPU), Local Area Network (LAN), Remote Network, and Virtual Private Network (VPN). The experimental results confirm that our proposed technique is effective and maintains high accuracy even when tested in different network conditions. This work opens a new avenue for model identification in real-world scenarios and contributes to more secure and trustworthy language model deployment.
☆ The Noisy Path from Source to Citation: Measuring How Scholars Engage with Past Research
Academic citations are widely used for evaluating research and tracing knowledge flows. Such uses typically rely on raw citation counts and neglect variability in citation types. In particular, citations can vary in their fidelity as original knowledge from cited studies may be paraphrased, summarized, or reinterpreted, possibly wrongly, leading to variation in how much information changes from cited to citing paper. In this study, we introduce a computational pipeline to quantify citation fidelity at scale. Using full texts of papers, the pipeline identifies citations in citing papers and the corresponding claims in cited papers, and applies supervised models to measure fidelity at the sentence level. Analyzing a large-scale multi-disciplinary dataset of approximately 13 million citation sentence pairs, we find that citation fidelity is higher when authors cite papers that are 1) more recent and intellectually close, 2) more accessible, and 3) the first author has a lower H-index and the author team is medium-sized. Using a quasi-experiment, we establish the "telephone effect" - when citing papers have low fidelity to the original claim, future papers that cite the citing paper and the original have lower fidelity to the original. Our work reveals systematic differences in citation fidelity, underscoring the limitations of analyses that rely on citation quantity alone and the potential for distortion of evidence.
☆ ECCOS: Efficient Capability and Cost Coordinated Scheduling for Multi-LLM Serving
As large language models (LLMs) are increasingly deployed as service endpoints in systems, the surge in query volume creates significant scheduling challenges. Existing scheduling frameworks mainly target at latency optimization while neglecting the capability of LLMs to serve different level of queries, which could lead to computational resource waste. This paper addresses this challenge by proposing a capability-cost coordinated scheduling framework, ECCOS, for multi-LLM serving, which explicitly constrains response quality and workload to optimize LLM inference cost. Specifically, it introduces the two-stage scheduling by designing a multi-objective predictor and a constrained optimizer. The predictor estimates both model capabilities and computational costs through training-based and retrieval-based approaches, while the optimizer determines cost-optimal assignments under quality and workload constraints. It also introduces QAServe, a dataset collected for sample-wise response quality and costs by zero-shot prompting different LLMs on knowledge QA and mathematical reasoning. Extensive experiments demonstrate that ECCOS improves success rates by 6.30% while reducing costs by 10.15% compared to existing methods, consuming less than 0.5% of LLM response time. The code is available at: https://github.com/agiresearch/ECCOS.
☆ Visual Reasoning at Urban Intersections: FineTuning GPT-4o for Traffic Conflict Detection
Traffic control in unsignalized urban intersections presents significant challenges due to the complexity, frequent conflicts, and blind spots. This study explores the capability of leveraging Multimodal Large Language Models (MLLMs), such as GPT-4o, to provide logical and visual reasoning by directly using birds-eye-view videos of four-legged intersections. In this proposed method, GPT-4o acts as intelligent system to detect conflicts and provide explanations and recommendations for the drivers. The fine-tuned model achieved an accuracy of 77.14%, while the manual evaluation of the true predicted values of the fine-tuned GPT-4o showed significant achievements of 89.9% accuracy for model-generated explanations and 92.3% for the recommended next actions. These results highlight the feasibility of using MLLMs for real-time traffic management using videos as inputs, offering scalable and actionable insights into intersections traffic management and operation. Code used in this study is available at https://github.com/sarimasri3/Traffic-Intersection-Conflict-Detection-using-images.git.
☆ HazardNet: A Small-Scale Vision Language Model for Real-Time Traffic Safety Detection at Edge Devices
Traffic safety remains a vital concern in contemporary urban settings, intensified by the increase of vehicles and the complicated nature of road networks. Traditional safety-critical event detection systems predominantly rely on sensor-based approaches and conventional machine learning algorithms, necessitating extensive data collection and complex training processes to adhere to traffic safety regulations. This paper introduces HazardNet, a small-scale Vision Language Model designed to enhance traffic safety by leveraging the reasoning capabilities of advanced language and vision models. We built HazardNet by fine-tuning the pre-trained Qwen2-VL-2B model, chosen for its superior performance among open-source alternatives and its compact size of two billion parameters. This helps to facilitate deployment on edge devices with efficient inference throughput. In addition, we present HazardQA, a novel Vision Question Answering (VQA) dataset constructed specifically for training HazardNet on real-world scenarios involving safety-critical events. Our experimental results show that the fine-tuned HazardNet outperformed the base model up to an 89% improvement in F1-Score and has comparable results with improvement in some cases reach up to 6% when compared to larger models, such as GPT-4o. These advancements underscore the potential of HazardNet in providing real-time, reliable traffic safety event detection, thereby contributing to reduced accidents and improved traffic management in urban environments. Both HazardNet model and the HazardQA dataset are available at https://huggingface.co/Tami3/HazardNet and https://huggingface.co/datasets/Tami3/HazardQA, respectively.
☆ Towards Statistical Factuality Guarantee for Large Vision-Language Models
Advancements in Large Vision-Language Models (LVLMs) have demonstrated promising performance in a variety of vision-language tasks involving image-conditioned free-form text generation. However, growing concerns about hallucinations in LVLMs, where the generated text is inconsistent with the visual context, are becoming a major impediment to deploying these models in applications that demand guaranteed reliability. In this paper, we introduce a framework to address this challenge, ConfLVLM, which is grounded on conformal prediction to achieve finite-sample distribution-free statistical guarantees on the factuality of LVLM output. This framework treats an LVLM as a hypothesis generator, where each generated text detail (or claim) is considered an individual hypothesis. It then applies a statistical hypothesis testing procedure to verify each claim using efficient heuristic uncertainty measures to filter out unreliable claims before returning any responses to users. We conduct extensive experiments covering three representative application domains, including general scene understanding, medical radiology report generation, and document understanding. Remarkably, ConfLVLM reduces the error rate of claims generated by LLaVa-1.5 for scene descriptions from 87.8\% to 10.0\% by filtering out erroneous claims with a 95.3\% true positive rate. Our results further demonstrate that ConfLVLM is highly flexible, and can be applied to any black-box LVLMs paired with any uncertainty measure for any image-conditioned free-form text generation task while providing a rigorous guarantee on controlling the risk of hallucination.
☆ HuAMR: A Hungarian AMR Parser and Dataset
We present HuAMR, the first Abstract Meaning Representation (AMR) dataset and a suite of large language model-based AMR parsers for Hungarian, targeting the scarcity of semantic resources for non-English languages. To create HuAMR, we employed Llama-3.1-70B to automatically generate silver-standard AMR annotations, which we then refined manually to ensure quality. Building on this dataset, we investigate how different model architectures - mT5 Large and Llama-3.2-1B - and fine-tuning strategies affect AMR parsing performance. While incorporating silver-standard AMRs from Llama-3.1-70B into the training data of smaller models does not consistently boost overall scores, our results show that these techniques effectively enhance parsing accuracy on Hungarian news data (the domain of HuAMR). We evaluate our parsers using Smatch scores and confirm the potential of HuAMR and our parsers for advancing semantic parsing research.
☆ $Q\sharp$: Provably Optimal Distributional RL for LLM Post-Training
Reinforcement learning (RL) post-training is crucial for LLM alignment and reasoning, but existing policy-based methods, such as PPO and DPO, can fall short of fixing shortcuts inherited from pre-training. In this work, we introduce $Q\sharp$, a value-based algorithm for KL-regularized RL that guides the reference policy using the optimal regularized $Q$ function. We propose to learn the optimal $Q$ function using distributional RL on an aggregated online dataset. Unlike prior value-based baselines that guide the model using unregularized $Q$-values, our method is theoretically principled and provably learns the optimal policy for the KL-regularized RL problem. Empirically, $Q\sharp$ outperforms prior baselines in math reasoning benchmarks while maintaining a smaller KL divergence to the reference policy. Theoretically, we establish a reduction from KL-regularized RL to no-regret online learning, providing the first bounds for deterministic MDPs under only realizability. Thanks to distributional RL, our bounds are also variance-dependent and converge faster when the reference policy has small variance. In sum, our results highlight $Q\sharp$ as an effective approach for post-training LLMs, offering both improved performance and theoretical guarantees. The code can be found at https://github.com/jinpz/q_sharp.
☆ NANOGPT: A Query-Driven Large Language Model Retrieval-Augmented Generation System for Nanotechnology Research
This paper presents the development and application of a Large Language Model Retrieval-Augmented Generation (LLM-RAG) system tailored for nanotechnology research. The system leverages the capabilities of a sophisticated language model to serve as an intelligent research assistant, enhancing the efficiency and comprehensiveness of literature reviews in the nanotechnology domain. Central to this LLM-RAG system is its advanced query backend retrieval mechanism, which integrates data from multiple reputable sources. The system retrieves relevant literature by utilizing Google Scholar's advanced search, and scraping open-access papers from Elsevier, Springer Nature, and ACS Publications. This multifaceted approach ensures a broad and diverse collection of up-to-date scholarly articles and papers. The proposed system demonstrates significant potential in aiding researchers by providing a streamlined, accurate, and exhaustive literature retrieval process, thereby accelerating research advancements in nanotechnology. The effectiveness of the LLM-RAG system is validated through rigorous testing, illustrating its capability to significantly reduce the time and effort required for comprehensive literature reviews, while maintaining high accuracy, query relevance and outperforming standard, publicly available LLMS.
comment: 61 pages, 3 figures
☆ Supervised Fine-Tuning LLMs to Behave as Pedagogical Agents in Programming Education
Large language models (LLMs) are increasingly being explored in higher education, yet their effectiveness as teaching agents remains underexamined. In this paper, we present the development of GuideLM, a fine-tuned LLM designed for programming education. GuideLM has been integrated into the Debugging C Compiler (DCC), an educational C compiler that leverages LLMs to generate pedagogically sound error explanations. Previously, DCC relied on off-the-shelf OpenAI models, which, while accurate, often over-assisted students by directly providing solutions despite contrary prompting. To address this, we employed supervised fine-tuning (SFT) on a dataset of 528 student-question/teacher-answer pairs, creating two models: GuideLM and GuideLM-mini, fine-tuned on ChatGPT-4o and 4o-mini, respectively. We conducted an expert analysis of 400 responses per model, comparing their pedagogical effectiveness against base OpenAI models. Our evaluation, grounded in constructivism and cognitive load theory, assessed factors such as conceptual scaffolding, clarity, and Socratic guidance. Results indicate that GuideLM and GuideLM-mini improve pedagogical performance, with an 8% increase in Socratic guidance and a 58% improvement in economy of words compared to GPT-4o. However, this refinement comes at the cost of a slight reduction in general accuracy. While further work is needed, our findings suggest that fine-tuning LLMs with targeted datasets is a promising approach for developing models better suited to educational contexts.
☆ TripCraft: A Benchmark for Spatio-Temporally Fine Grained Travel Planning
Recent advancements in probing Large Language Models (LLMs) have explored their latent potential as personalized travel planning agents, yet existing benchmarks remain limited in real world applicability. Existing datasets, such as TravelPlanner and TravelPlanner+, suffer from semi synthetic data reliance, spatial inconsistencies, and a lack of key travel constraints, making them inadequate for practical itinerary generation. To address these gaps, we introduce TripCraft, a spatiotemporally coherent travel planning dataset that integrates real world constraints, including public transit schedules, event availability, diverse attraction categories, and user personas for enhanced personalization. To evaluate LLM generated plans beyond existing binary validation methods, we propose five continuous evaluation metrics, namely Temporal Meal Score, Temporal Attraction Score, Spatial Score, Ordering Score, and Persona Score which assess itinerary quality across multiple dimensions. Our parameter informed setting significantly enhances meal scheduling, improving the Temporal Meal Score from 61% to 80% in a 7 day scenario. TripCraft establishes a new benchmark for LLM driven personalized travel planning, offering a more realistic, constraint aware framework for itinerary generation. Dataset and Codebase will be made publicly available upon acceptance.
comment: 27 pages, 18 Tables and 6 Figures
☆ A Thousand Words or An Image: Studying the Influence of Persona Modality in Multimodal LLMs
Large language models (LLMs) have recently demonstrated remarkable advancements in embodying diverse personas, enhancing their effectiveness as conversational agents and virtual assistants. Consequently, LLMs have made significant strides in processing and integrating multimodal information. However, even though human personas can be expressed in both text and image, the extent to which the modality of a persona impacts the embodiment by the LLM remains largely unexplored. In this paper, we investigate how do different modalities influence the expressiveness of personas in multimodal LLMs. To this end, we create a novel modality-parallel dataset of 40 diverse personas varying in age, gender, occupation, and location. This consists of four modalities to equivalently represent a persona: image-only, text-only, a combination of image and small text, and typographical images, where text is visually stylized to convey persona-related attributes. We then create a systematic evaluation framework with 60 questions and corresponding metrics to assess how well LLMs embody each persona across its attributes and scenarios. Comprehensive experiments on $5$ multimodal LLMs show that personas represented by detailed text show more linguistic habits, while typographical images often show more consistency with the persona. Our results reveal that LLMs often overlook persona-specific details conveyed through images, highlighting underlying limitations and paving the way for future research to bridge this gap. We release the data and code at https://github.com/claws-lab/persona-modality .
☆ Protecting multimodal large language models against misleading visualizations
We assess the vulnerability of multimodal large language models to misleading visualizations - charts that distort the underlying data using techniques such as truncated or inverted axes, leading readers to draw inaccurate conclusions that may support misinformation or conspiracy theories. Our analysis shows that these distortions severely harm multimodal large language models, reducing their question-answering accuracy to the level of the random baseline. To mitigate this vulnerability, we introduce six inference-time methods to improve performance of MLLMs on misleading visualizations while preserving their accuracy on non-misleading ones. The most effective approach involves (1) extracting the underlying data table and (2) using a text-only large language model to answer questions based on the table. This method improves performance on misleading visualizations by 15.4 to 19.6 percentage points.
comment: Preprint. Code and data available at https://github.com/UKPLab/arxiv2025-misleading-visualizations
☆ EgoNormia: Benchmarking Physical Social Norm Understanding
Human activity is moderated by norms. When performing actions in the real world, humans not only follow norms, but also consider the trade-off between different norms However, machines are often trained without explicit supervision on norm understanding and reasoning, especially when the norms are grounded in a physical and social context. To improve and evaluate the normative reasoning capability of vision-language models (VLMs), we present EgoNormia $\|\epsilon\|$, consisting of 1,853 ego-centric videos of human interactions, each of which has two related questions evaluating both the prediction and justification of normative actions. The normative actions encompass seven categories: safety, privacy, proxemics, politeness, cooperation, coordination/proactivity, and communication/legibility. To compile this dataset at scale, we propose a novel pipeline leveraging video sampling, automatic answer generation, filtering, and human validation. Our work demonstrates that current state-of-the-art vision-language models lack robust norm understanding, scoring a maximum of 45% on EgoNormia (versus a human bench of 92%). Our analysis of performance in each dimension highlights the significant risks of safety, privacy, and the lack of collaboration and communication capability when applied to real-world agents. We additionally show that through a retrieval-based generation method, it is possible to use EgoNomia to enhance normative reasoning in VLMs.
♻ ☆ TAID: Temporally Adaptive Interpolated Distillation for Efficient Knowledge Transfer in Language Models ICLR 2025
Causal language models have demonstrated remarkable capabilities, but their size poses significant challenges for deployment in resource-constrained environments. Knowledge distillation, a widely-used technique for transferring knowledge from a large teacher model to a small student model, presents a promising approach for model compression. A significant remaining issue lies in the major differences between teacher and student models, namely the substantial capacity gap, mode averaging, and mode collapse, which pose barriers during distillation. To address these issues, we introduce $\textit{Temporally Adaptive Interpolated Distillation (TAID)}$, a novel knowledge distillation approach that dynamically interpolates student and teacher distributions through an adaptive intermediate distribution, gradually shifting from the student's initial distribution towards the teacher's distribution. We provide a theoretical analysis demonstrating TAID's ability to prevent mode collapse and empirically show its effectiveness in addressing the capacity gap while balancing mode averaging and mode collapse. Our comprehensive experiments demonstrate TAID's superior performance across various model sizes and architectures in both instruction tuning and pre-training scenarios. Furthermore, we showcase TAID's practical impact by developing two state-of-the-art compact foundation models: $\texttt{TAID-LLM-1.5B}$ for language tasks and $\texttt{TAID-VLM-2B}$ for vision-language tasks. These results demonstrate TAID's effectiveness in creating high-performing and efficient models, advancing the development of more accessible AI technologies.
comment: To appear at the 13th International Conference on Learning Representations (ICLR 2025) as a Spotlight presentation
♻ ☆ Show, Don't Tell: Evaluating Large Language Models Beyond Textual Understanding with ChildPlay
We developed a benchmark set to assess the generalization of state-of-the-art large language models on problems beyond linguistic tasks and evaluate it on a systematic progression of GPT models (GPT-3.5, GPT-4, GPT-4o, GPT-4o-mini). Using simple games like Tic-Tac-Toe, Connect Four, Battleship, and a Shape Recognition Game, all encoded in ASCII, we test strategic capabilities and spatial reasoning, core abilities any artificial intelligence would need to master for solving problems in chemistry. To probe generalization, we introduce two new games for spatial logic: LEGO Connect Language (LCL) and Guess-the-SMILES (GtS), a operationally simple chemistry benchmark. Our results show that GPT models provide meaningful responses for several tasks but, generally, perform poorly. A systematic performance progression with increased model capabilities (GPT-3.5, GPT-4, GPT-4o) is only observed for 4 out of the 7 benchmark tasks. All models consistently struggle with Battleship, LCL, and GtS. This suggests that while GPT models can emulate conversational proficiency and basic rule comprehension, they have limited generalization with respect to strategy and spatial reasoning. Particularly poor performance is observed for interpreting molecular graphs when encoded in ASCII. The results provided by our open-source benchmark suite (\href{https://github.com/BlueVelvetSackOfGoldPotatoes/child-play}{\texttt{ChildPlay} GitHub Repository}) caution against claims of emergent intelligence in GPT models, which appear more specialized than general.
♻ ☆ Flash Interpretability: Decoding Specialised Feature Neurons in Large Language Models with the LM-Head
Large Language Models (LLMs) typically have billions of parameters and are thus often difficult to interpret in their operation. In this work, we demonstrate that it is possible to decode neuron weights directly into token probabilities through the final projection layer of the model (the LM-head). This is illustrated in Llama 3.1 8B where we use the LM-head to find examples of specialised feature neurons such as a "dog" neuron and a "California" neuron, and we validate this by clamping these neurons to affect the probability of the concept in the output. We evaluate this method on both the pre-trained and Instruct models, finding that over 75% of neurons in the up-projection layers in the instruct model have the same top associated token compared to the pretrained model. Finally, we demonstrate that clamping the "dog" neuron leads the instruct model to always discuss dogs when asked about its favourite animal. Through our method, it is possible to map the top features of the entirety of Llama 3.1 8B's up-projection neurons in less than 10 seconds, with minimal compute.
comment: 5 pages, 4 figures
♻ ☆ From Tokens to Words: On the Inner Lexicon of LLMs
Natural language is composed of words, but modern large language models (LLMs) process sub-words as input. A natural question raised by this discrepancy is whether LLMs encode words internally, and if so how. We present evidence that LLMs engage in an intrinsic detokenization process, where sub-word sequences are combined into coherent whole-word representations at their last token. Our experiments show that this process primarily takes place within the early and middle layers of the model. We further demonstrate its robustness to arbitrary splits (e.g., "cats" to "ca" and "ts"), typos, and importantly-to out-of-vocabulary words: when feeding the last token internal representations of such words to the model as input, it can "understand" them as the complete word despite never seeing such representations as input during training. Our findings suggest that LLMs maintain a latent vocabulary beyond the tokenizer's scope. These insights provide a practical, finetuning-free application for expanding the vocabulary of pre-trained models. By enabling the addition of new vocabulary words, we reduce input length and inference iterations, which reduces both space and model latency, with little to no loss in model accuracy.
♻ ☆ ExACT: Teaching AI Agents to Explore with Reflective-MCTS and Exploratory Learning
Autonomous agents have demonstrated significant potential in automating complex multistep decision-making tasks. However, even state-of-the-art vision-language models (VLMs), such as GPT-4o, still fall short of human-level performance, particularly in intricate web environments and long-horizon tasks. To address these limitations, we present ExACT, an approach to combine test-time search and self-learning to build o1-like models for agentic applications. We first introduce Reflective Monte Carlo Tree Search (R-MCTS), a novel test time algorithm designed to enhance AI agents' ability to explore decision space on the fly. R-MCTS extends traditional MCTS by 1) incorporating contrastive reflection, allowing agents to learn from past interactions and dynamically improve their search efficiency; and 2) using multi-agent debate for reliable state evaluation. Next, we introduce Exploratory Learning, a novel learning strategy to teach agents to search at inference time without relying on any external search algorithms. On the challenging VisualWebArena benchmark, our GPT-4o based R-MCTS agent achieves a 6% to 30% relative improvement across various tasks compared to the previous state-of-the-art. Additionally, we show that the knowledge and experience gained from test-time search can be effectively transferred back to GPT-4o via fine-tuning. After Exploratory Learning, GPT-4o 1) demonstrates the ability to explore the environment, evaluate a state, and backtrack to viable ones when it detects that the current state cannot lead to success, and 2) matches 87% of R-MCTS's performance while using significantly less compute. Notably, our work demonstrates the compute scaling properties in both training - data collection with R-MCTS - and testing time. These results suggest a promising research direction to enhance VLMs' capabilities for agentic applications via test-time search and self-learning.
Information Retrieval 18
☆ CS-PaperSum: A Large-Scale Dataset of AI-Generated Summaries for Scientific Papers
The rapid expansion of scientific literature in computer science presents challenges in tracking research trends and extracting key insights. Existing datasets provide metadata but lack structured summaries that capture core contributions and methodologies. We introduce CS-PaperSum, a large-scale dataset of 91,919 papers from 31 top-tier computer science conferences, enriched with AI-generated structured summaries using ChatGPT. To assess summary quality, we conduct embedding alignment analysis and keyword overlap analysis, demonstrating strong preservation of key concepts. We further present a case study on AI research trends, highlighting shifts in methodologies and interdisciplinary crossovers, including the rise of self-supervised learning, retrieval-augmented generation, and multimodal AI. Our dataset enables automated literature analysis, research trend forecasting, and AI-driven scientific discovery, providing a valuable resource for researchers, policymakers, and scientific information retrieval systems.
☆ NANOGPT: A Query-Driven Large Language Model Retrieval-Augmented Generation System for Nanotechnology Research
This paper presents the development and application of a Large Language Model Retrieval-Augmented Generation (LLM-RAG) system tailored for nanotechnology research. The system leverages the capabilities of a sophisticated language model to serve as an intelligent research assistant, enhancing the efficiency and comprehensiveness of literature reviews in the nanotechnology domain. Central to this LLM-RAG system is its advanced query backend retrieval mechanism, which integrates data from multiple reputable sources. The system retrieves relevant literature by utilizing Google Scholar's advanced search, and scraping open-access papers from Elsevier, Springer Nature, and ACS Publications. This multifaceted approach ensures a broad and diverse collection of up-to-date scholarly articles and papers. The proposed system demonstrates significant potential in aiding researchers by providing a streamlined, accurate, and exhaustive literature retrieval process, thereby accelerating research advancements in nanotechnology. The effectiveness of the LLM-RAG system is validated through rigorous testing, illustrating its capability to significantly reduce the time and effort required for comprehensive literature reviews, while maintaining high accuracy, query relevance and outperforming standard, publicly available LLMS.
comment: 61 pages, 3 figures
☆ Mixture of Structural-and-Textual Retrieval over Text-rich Graph Knowledge Bases
Text-rich Graph Knowledge Bases (TG-KBs) have become increasingly crucial for answering queries by providing textual and structural knowledge. However, current retrieval methods often retrieve these two types of knowledge in isolation without considering their mutual reinforcement and some hybrid methods even bypass structural retrieval entirely after neighboring aggregation. To fill in this gap, we propose a Mixture of Structural-and-Textual Retrieval (MoR) to retrieve these two types of knowledge via a Planning-Reasoning-Organizing framework. In the Planning stage, MoR generates textual planning graphs delineating the logic for answering queries. Following planning graphs, in the Reasoning stage, MoR interweaves structural traversal and textual matching to obtain candidates from TG-KBs. In the Organizing stage, MoR further reranks fetched candidates based on their structural trajectory. Extensive experiments demonstrate the superiority of MoR in harmonizing structural and textual retrieval with insights, including uneven retrieving performance across different query logics and the benefits of integrating structural trajectories for candidate reranking. Our code is available at https://github.com/Yoega/MoR.
☆ LangProBe: a Language Programs Benchmark
Composing language models (LMs) into multi-step language programs and automatically optimizing their modular prompts is now a mainstream paradigm for building AI systems, but the tradeoffs in this space have only scarcely been studied before. We introduce LangProBe, the first large-scale benchmark for evaluating the architectures and optimization strategies for language programs, with over 2000 combinations of tasks, architectures, optimizers, and choices of LMs. Using LangProBe, we are the first to study the impact of program architectures and optimizers (and their compositions together and with different models) on tradeoffs of quality and cost. We find that optimized language programs offer strong cost--quality Pareto improvement over raw calls to models, but simultaneously demonstrate that human judgment (or empirical decisions) about which compositions to pursue is still necessary for best performance. We will open source the code and evaluation data for LangProBe.
☆ Granite Embedding Models
We introduce the Granite Embedding models, a family of encoder-based embedding models designed for retrieval tasks, spanning dense-retrieval and sparse retrieval architectures, with both English and Multilingual capabilities. This report provides the technical details of training these highly effective 12 layer embedding models, along with their efficient 6 layer distilled counterparts. Extensive evaluations show that the models, developed with techniques like retrieval oriented pretraining, contrastive finetuning, knowledge distillation, and model merging significantly outperform publicly available models of similar sizes on both internal IBM retrieval and search tasks, and have equivalent performance on widely used information retrieval benchmarks, while being trained on high-quality data suitable for enterprise use. We publicly release all our Granite Embedding models under the Apache 2.0 license, allowing both research and commercial use at https://huggingface.co/collections/ibm-granite.
☆ Bisecting K-Means in RAG for Enhancing Question-Answering Tasks Performance in Telecommunications
Question-answering tasks in the telecom domain are still reasonably unexplored in the literature, primarily due to the field's rapid changes and evolving standards. This work presents a novel Retrieval-Augmented Generation framework explicitly designed for the telecommunication domain, focusing on datasets composed of 3GPP documents. The framework introduces the use of the Bisecting K-Means clustering technique to organize the embedding vectors by contents, facilitating more efficient information retrieval. By leveraging this clustering technique, the system pre-selects a subset of clusters that are most similar to the user's query, enhancing the relevance of the retrieved information. Aiming for models with lower computational cost for inference, the framework was tested using Small Language Models, demonstrating improved performance with an accuracy of 66.12% on phi-2 and 72.13% on phi-3 fine-tuned models, and reduced training time.
comment: 6 pages, 8 figures, accepted at GLOBECOM WORKSHOPS 2024
☆ ReCon: Enhancing True Correspondence Discrimination through Relation Consistency for Robust Noisy Correspondence Learning CVPR2025
Can we accurately identify the true correspondences from multimodal datasets containing mismatched data pairs? Existing methods primarily emphasize the similarity matching between the representations of objects across modalities, potentially neglecting the crucial relation consistency within modalities that are particularly important for distinguishing the true and false correspondences. Such an omission often runs the risk of misidentifying negatives as positives, thus leading to unanticipated performance degradation. To address this problem, we propose a general Relation Consistency learning framework, namely ReCon, to accurately discriminate the true correspondences among the multimodal data and thus effectively mitigate the adverse impact caused by mismatches. Specifically, ReCon leverages a novel relation consistency learning to ensure the dual-alignment, respectively of, the cross-modal relation consistency between different modalities and the intra-modal relation consistency within modalities. Thanks to such dual constrains on relations, ReCon significantly enhances its effectiveness for true correspondence discrimination and therefore reliably filters out the mismatched pairs to mitigate the risks of wrong supervisions. Extensive experiments on three widely-used benchmark datasets, including Flickr30K, MS-COCO, and Conceptual Captions, are conducted to demonstrate the effectiveness and superiority of ReCon compared with other SOTAs. The code is available at: https://github.com/qxzha/ReCon.
comment: 10 pages, 4 figures, Accepted by CVPR2025
☆ Few-Shot Multilingual Open-Domain QA from 5 Examples ACL
Recent approaches to multilingual open-domain question answering (MLODQA) have achieved promising results given abundant language-specific training data. However, the considerable annotation cost limits the application of these methods for underrepresented languages. We introduce a \emph{few-shot learning} approach to synthesise large-scale multilingual data from large language models (LLMs). Our method begins with large-scale self-supervised pre-training using WikiData, followed by training on high-quality synthetic multilingual data generated by prompting LLMs with few-shot supervision. The final model, \textsc{FsModQA}, significantly outperforms existing few-shot and supervised baselines in MLODQA and cross-lingual and monolingual retrieval. We further show our method can be extended for effective zero-shot adaptation to new languages through a \emph{cross-lingual prompting} strategy with only English-supervised data, making it a general and applicable solution for MLODQA tasks without costly large-scale annotation.
comment: Accepted by TACL; pre-MIT Press publication version
☆ Teaching Dense Retrieval Models to Specialize with Listwise Distillation and LLM Data Augmentation
While the current state-of-the-art dense retrieval models exhibit strong out-of-domain generalization, they might fail to capture nuanced domain-specific knowledge. In principle, fine-tuning these models for specialized retrieval tasks should yield higher effectiveness than relying on a one-size-fits-all model, but in practice, results can disappoint. We show that standard fine-tuning methods using an InfoNCE loss can unexpectedly degrade effectiveness rather than improve it, even for domain-specific scenarios. This holds true even when applying widely adopted techniques such as hard-negative mining and negative de-noising. To address this, we explore a training strategy that uses listwise distillation from a teacher cross-encoder, leveraging rich relevance signals to fine-tune the retriever. We further explore synthetic query generation using large language models. Through listwise distillation and training with a diverse set of queries ranging from natural user searches and factual claims to keyword-based queries, we achieve consistent effectiveness gains across multiple datasets. Our results also reveal that synthetic queries can rival human-written queries in training utility. However, we also identify limitations, particularly in the effectiveness of cross-encoder teachers as a bottleneck. We release our code and scripts to encourage further research.
♻ ☆ External Large Foundation Model: How to Efficiently Serve Trillions of Parameters for Online Ads Recommendation WWW
Ads recommendation is a prominent service of online advertising systems and has been actively studied. Recent studies indicate that scaling-up and advanced design of the recommendation model can bring significant performance improvement. However, with a larger model scale, such prior studies have a significantly increasing gap from industry as they often neglect two fundamental challenges in industrial-scale applications. First, training and inference budgets are restricted for the model to be served, exceeding which may incur latency and impair user experience. Second, large-volume data arrive in a streaming mode with data distributions dynamically shifting, as new users/ads join and existing users/ads leave the system. We propose the External Large Foundation Model (ExFM) framework to address the overlooked challenges. Specifically, we develop external distillation and a data augmentation system (DAS) to control the computational cost of training/inference while maintaining high performance. We design the teacher in a way like a foundation model (FM) that can serve multiple students as vertical models (VMs) to amortize its building cost. We propose Auxiliary Head and Student Adapter to mitigate the data distribution gap between FM and VMs caused by the streaming data issue. Comprehensive experiments on internal industrial-scale applications and public datasets demonstrate significant performance gain by ExFM.
comment: Accepted by the ACM Web Conference (WWW) 2025 Industrial Track as Oral Presentation
♻ ☆ A Dataset and Framework for Learning State-invariant Object Representations
We add one more invariance - the state invariance - to the more commonly used other invariances for learning object representations for recognition and retrieval. By state invariance, we mean robust with respect to changes in the structural form of the objects, such as when an umbrella is folded, or when an item of clothing is tossed on the floor. In this work, we present a novel dataset, ObjectsWithStateChange, which captures state and pose variations in the object images recorded from arbitrary viewpoints. We believe that this dataset will facilitate research in fine-grained object recognition and retrieval of 3D objects that are capable of state changes. The goal of such research would be to train models capable of learning discriminative object embeddings that remain invariant to state changes while also staying invariant to transformations induced by changes in viewpoint, pose, illumination, etc. A major challenge in this regard is that instances of different objects (both within and across different categories) under various state changes may share similar visual characteristics and therefore may be close to one another in the learned embedding space, which would make it more difficult to discriminate between them. To address this, we propose a curriculum learning strategy that progressively selects object pairs with smaller inter-object distances in the learned embedding space during the training phase. This approach gradually samples harder-to-distinguish examples of visually similar objects, both within and across different categories. Our ablation related to the role played by curriculum learning indicates an improvement in object recognition accuracy of 7.9% and retrieval mAP of 9.2% over the state-of-the-art on our new dataset, as well as three other challenging multi-view datasets such as ModelNet40, ObjectPI, and FG3D.
comment: This work has been submitted to the IEEE for possible publication
♻ ☆ Recommendations by Concise User Profiles from Review Text
Recommender systems perform well for popular items and users with ample interactions (likes, ratings etc.). This work addresses the difficult and underexplored case of users who have very sparse interactions but post informative review texts. This setting naturally calls for encoding user-specific text with large language models (LLM). However, feeding the full text of all reviews through an LLM has a weak signal-to-noise ratio and incurs high costs of processed tokens. This paper addresses these two issues. It presents a light-weight framework, called CUP, which first computes concise user profiles and feeds only these into the training of transformer-based recommenders. For user profiles, we devise various techniques to select the most informative cues from noisy reviews. Experiments, with book reviews data, show that fine-tuning a small language model with judiciously constructed profiles achieves the best performance, even in comparison to LLM-generated rankings.
♻ ☆ Multi-modal Food Recommendation using Clustering and Self-supervised Learning
Food recommendation systems serve as pivotal components in the realm of digital lifestyle services, designed to assist users in discovering recipes and food items that resonate with their unique dietary predilections. Typically, multi-modal descriptions offer an exhaustive profile for each recipe, thereby ensuring recommendations that are both personalized and accurate. Our preliminary investigation of two datasets indicates that pre-trained multi-modal dense representations might precipitate a deterioration in performance compared to ID features when encapsulating interactive relationships. This observation implies that ID features possess a relative superiority in modeling interactive collaborative signals. Consequently, contemporary cutting-edge methodologies augment ID features with multi-modal information as supplementary features, overlooking the latent semantic relations between recipes. To rectify this, we present CLUSSL, a novel food recommendation framework that employs clustering and self-supervised learning. Specifically, CLUSSL formulates a modality-specific graph tailored to each modality with discrete/continuous features, thereby transforming semantic features into structural representation. Furthermore, CLUSSL procures recipe representations pertinent to different modalities via graph convolutional operations. A self-supervised learning objective is proposed to foster independence between recipe representations derived from different unimodal graphs. Comprehensive experiments on real-world datasets substantiate that CLUSSL consistently surpasses state-of-the-art recommendation benchmarks in performance.
comment: Working paper
♻ ☆ Establishing a Foundation for Tetun Text Ad-Hoc Retrieval: Stemming, Indexing, Retrieval, and Ranking
Searching for information on the internet and digital platforms to satisfy an information need requires effective retrieval solutions. However, such solutions are not yet available for Tetun, making it challenging to find relevant documents for text-based search queries in this language. To address these challenges, this study investigates Tetun text retrieval with a focus on the ad-hoc retrieval task. It begins by developing essential language resources -- including a list of stopwords, a stemmer, and a test collection -- which serve as foundational components for solutions tailored to Tetun text retrieval. Various strategies are then explored using both document titles and content to evaluate retrieval effectiveness. The results show that retrieving document titles, after removing hyphens and apostrophes without applying stemming, significantly improves retrieval performance compared to the baseline. Efficiency increases by 31.37%, while effectiveness achieves an average gain of 9.40% in MAP@10 and 30.35% in nDCG@10 with DFR BM25. Beyond the top-10 cutoff point, Hiemstra LM demonstrates strong performance across various retrieval strategies and evaluation metrics. Contributions of this work include the development of Labadain-Stopwords (a list of 160 Tetun stopwords), Labadain-Stemmer (a Tetun stemmer with three variants), and Labadain-Avaliad\'or (a Tetun test collection containing 59 topics, 33,550 documents, and 5,900 qrels).
comment: Refine the title and improve the content (version 2)
♻ ☆ AutoPureData: Automated Filtering of Undesirable Web Data to Update LLM Knowledge
Up-to-date and reliable language models are consistently sought after and are essential in various applications. Typically, models are trained on a fixed dataset and then deployed globally. However, the knowledge of the models becomes outdated. Enabling automatic updation of AI knowledge using web data involves significant concerns regarding the model's safety and quality due to a threat from unsafe and undesirable text across the web. The purity of new data was essential for updating knowledge of language models to maintain their reliability. This paper proposes AutoPureData, a system that automatically collects and purifies web data. The system loaded a sample of web data. Utilizing existing trusted AI models, it successfully eliminated unsafe text with an accuracy of 97% and undesirable text with an accuracy of 86%, demonstrating the system's effectiveness in purifying the data. The system ensures that only meaningful and safe text can be used to update LLM knowledge. The pure text was then optimized and stored in a vector database for future querying. It was found that LLM can fetch new data from the vector DB. The LLM writes the RAG query in English, even if the user's query is in another language, proving that the system can perform cross-lingual retrieval. This paper proposes a method to maintain the accuracy and relevance of up-to-date language models by ensuring that only purified data was used to update LLM knowledge. This work contributes to updating knowledge of chatbots using meaningful and safe text, enhancing their utility across various industries, and potentially reducing the risks associated with outputs caused by unsafe or impure data. Code is available at github.com/Pro-GenAI/AutoPureData.
comment: Final version
♻ ☆ LLM-QE: Improving Query Expansion by Aligning Large Language Models with Ranking Preferences
Query expansion plays a crucial role in information retrieval, which aims to bridge the semantic gap between queries and documents to improve matching performance. This paper introduces LLM-QE, a novel approach that leverages Large Language Models (LLMs) to generate document-based query expansions, thereby enhancing dense retrieval models. Unlike traditional methods, LLM-QE designs both rank-based and answer-based rewards and uses these reward models to optimize LLMs to align with the ranking preferences of both retrievers and LLMs, thus mitigating the hallucination of LLMs during query expansion. Our experiments on the zero-shot dense retrieval model, Contriever, demonstrate the effectiveness of LLM-QE, achieving an improvement of over 8%. Furthermore, by incorporating answer-based reward modeling, LLM-QE generates more relevant and precise information related to the documents, rather than simply producing redundant tokens to maximize rank-based rewards. Notably, LLM-QE also improves the training process of dense retrievers, achieving a more than 5% improvement after fine-tuning. All codes are available at https://github.com/NEUIR/LLM-QE.
comment: 13 pages, 5 tables, 4 figures
♻ ☆ Spatial-RAG: Spatial Retrieval Augmented Generation for Real-World Spatial Reasoning Questions
Spatial reasoning remains a challenge for Large Language Models (LLMs), which struggle with spatial data retrieval and reasoning. We propose Spatial Retrieval-Augmented Generation (Spatial-RAG), a framework that extends RAG to spatial tasks by integrating sparse spatial retrieval (spatial databases) and dense semantic retrieval (LLM-based similarity). A multi-objective ranking strategy balances spatial constraints and semantic relevance, while an LLM-guided generator ensures coherent responses. Experiments on a real-world tourism dataset show that Spatial-RAG significantly improves spatial question answering, bridging the gap between LLMs and spatial intelligence.
♻ ☆ Image Fusion for Cross-Domain Sequential Recommendation
Cross-Domain Sequential Recommendation (CDSR) aims to predict future user interactions based on historical interactions across multiple domains. The key challenge in CDSR is effectively capturing cross-domain user preferences by fully leveraging both intra-sequence and inter-sequence item interactions. In this paper, we propose a novel method, Image Fusion for Cross-Domain Sequential Recommendation (IFCDSR), which incorporates item image information to better capture visual preferences. Our approach integrates a frozen CLIP model to generate image embeddings, enriching original item embeddings with visual data from both intra-sequence and inter-sequence interactions. Additionally, we employ a multiple attention layer to capture cross-domain interests, enabling joint learning of single-domain and cross-domain user preferences. To validate the effectiveness of IFCDSR, we re-partitioned four e-commerce datasets and conducted extensive experiments. Results demonstrate that IFCDSR significantly outperforms existing methods.
Information Retrieval 28
☆ PCL: Prompt-based Continual Learning for User Modeling in Recommender Systems
User modeling in large e-commerce platforms aims to optimize user experiences by incorporating various customer activities. Traditional models targeting a single task often focus on specific business metrics, neglecting the comprehensive user behavior, and thus limiting their effectiveness. To develop more generalized user representations, some existing work adopts Multi-task Learning (MTL)approaches. But they all face the challenges of optimization imbalance and inefficiency in adapting to new tasks. Continual Learning (CL), which allows models to learn new tasks incrementally and independently, has emerged as a solution to MTL's limitations. However, CL faces the challenge of catastrophic forgetting, where previously learned knowledge is lost when the model is learning the new task. Inspired by the success of prompt tuning in Pretrained Language Models (PLMs), we propose PCL, a Prompt-based Continual Learning framework for user modeling, which utilizes position-wise prompts as external memory for each task, preserving knowledge and mitigating catastrophic forgetting. Additionally, we design contextual prompts to capture and leverage inter-task relationships during prompt tuning. We conduct extensive experiments on real-world datasets to demonstrate PCL's effectiveness.
comment: 5 pages. Accepted by www'25 as short paper
☆ Trustworthy Answers, Messier Data: Bridging the Gap in Low-Resource Retrieval-Augmented Generation for Domain Expert Systems
RAG has become a key technique for enhancing LLMs by reducing hallucinations, especially in domain expert systems where LLMs may lack sufficient inherent knowledge. However, developing these systems in low-resource settings introduces several challenges: (1) handling heterogeneous data sources, (2) optimizing retrieval phase for trustworthy answers, and (3) evaluating generated answers across diverse aspects. To address these, we introduce a data generation pipeline that transforms raw multi-modal data into structured corpus and Q&A pairs, an advanced re-ranking phase improving retrieval precision, and a reference matching algorithm enhancing answer traceability. Applied to the automotive engineering domain, our system improves factual correctness (+1.94), informativeness (+1.16), and helpfulness (+1.67) over a non-RAG baseline, based on a 1-5 scale by an LLM judge. These results highlight the effectiveness of our approach across distinct aspects, with strong answer grounding and transparency.
☆ Agent-centric Information Access
As large language models (LLMs) become more specialized, we envision a future where millions of expert LLMs exist, each trained on proprietary data and excelling in specific domains. In such a system, answering a query requires selecting a small subset of relevant models, querying them efficiently, and synthesizing their responses. This paper introduces a framework for agent-centric information access, where LLMs function as knowledge agents that are dynamically ranked and queried based on their demonstrated expertise. Unlike traditional document retrieval, this approach requires inferring expertise on the fly, rather than relying on static metadata or predefined model descriptions. This shift introduces several challenges, including efficient expert selection, cost-effective querying, response aggregation across multiple models, and robustness against adversarial manipulation. To address these issues, we propose a scalable evaluation framework that leverages retrieval-augmented generation and clustering techniques to construct and assess thousands of specialized models, with the potential to scale toward millions.
☆ Efficient Federated Search for Retrieval-Augmented Generation
Large language models (LLMs) have demonstrated remarkable capabilities across various domains but remain susceptible to hallucinations and inconsistencies, limiting their reliability. Retrieval-augmented generation (RAG) mitigates these issues by grounding model responses in external knowledge sources. Existing RAG workflows often leverage a single vector database, which is impractical in the common setting where information is distributed across multiple repositories. We introduce RAGRoute, a novel mechanism for federated RAG search. RAGRoute dynamically selects relevant data sources at query time using a lightweight neural network classifier. By not querying every data source, this approach significantly reduces query overhead, improves retrieval efficiency, and minimizes the retrieval of irrelevant information. We evaluate RAGRoute using the MIRAGE and MMLU benchmarks and demonstrate its effectiveness in retrieving relevant documents while reducing the number of queries. RAGRoute reduces the total number of queries up to 77.5% and communication volume up to 76.2%.
comment: To appear in the proceedings of EuroMLSys'25
☆ Multiview graph dual-attention deep learning and contrastive learning for multi-criteria recommender systems
Recommender systems leveraging deep learning models have been crucial for assisting users in selecting items aligned with their preferences and interests. However, a significant challenge persists in single-criteria recommender systems, which often overlook the diverse attributes of items that have been addressed by Multi-Criteria Recommender Systems (MCRS). Shared embedding vector for multi-criteria item ratings but have struggled to capture the nuanced relationships between users and items based on specific criteria. In this study, we present a novel representation for Multi-Criteria Recommender Systems (MCRS) based on a multi-edge bipartite graph, where each edge represents one criterion rating of items by users, and Multiview Dual Graph Attention Networks (MDGAT). Employing MDGAT is beneficial and important for adequately considering all relations between users and items, given the presence of both local (criterion-based) and global (multi-criteria) relations. Additionally, we define anchor points in each view based on similarity and employ local and global contrastive learning to distinguish between positive and negative samples across each view and the entire graph. We evaluate our method on two real-world datasets and assess its performance based on item rating predictions. The results demonstrate that our method achieves higher accuracy compared to the baseline method for predicting item ratings on the same datasets. MDGAT effectively capture the local and global impact of neighbours and the similarity between nodes.
☆ UQABench: Evaluating User Embedding for Prompting LLMs in Personalized Question Answering
Large language models (LLMs) achieve remarkable success in natural language processing (NLP). In practical scenarios like recommendations, as users increasingly seek personalized experiences, it becomes crucial to incorporate user interaction history into the context of LLMs to enhance personalization. However, from a practical utility perspective, user interactions' extensive length and noise present challenges when used directly as text prompts. A promising solution is to compress and distill interactions into compact embeddings, serving as soft prompts to assist LLMs in generating personalized responses. Although this approach brings efficiency, a critical concern emerges: Can user embeddings adequately capture valuable information and prompt LLMs? To address this concern, we propose \name, a benchmark designed to evaluate the effectiveness of user embeddings in prompting LLMs for personalization. We establish a fair and standardized evaluation process, encompassing pre-training, fine-tuning, and evaluation stages. To thoroughly evaluate user embeddings, we design three dimensions of tasks: sequence understanding, action prediction, and interest perception. These evaluation tasks cover the industry's demands in traditional recommendation tasks, such as improving prediction accuracy, and its aspirations for LLM-based methods, such as accurately understanding user interests and enhancing the user experience. We conduct extensive experiments on various state-of-the-art methods for modeling user embeddings. Additionally, we reveal the scaling laws of leveraging user embeddings to prompt LLMs. The benchmark is available online.
comment: 10 pages, 3 figures, 7 tables
☆ TestNUC: Enhancing Test-Time Computing Approaches through Neighboring Unlabeled Data Consistency
Test-time computing approaches, which leverage additional computational resources during inference, have been proven effective in enhancing large language model performance. This work introduces a novel, linearly scaling approach, TestNUC, that improves test-time predictions by leveraging the local consistency of neighboring unlabeled data-it classifies an input instance by considering not only the model's prediction on that instance but also on neighboring unlabeled instances. We evaluate TestNUC across eight diverse datasets, spanning intent classification, topic mining, domain discovery, and emotion detection, demonstrating its consistent superiority over baseline methods such as standard prompting and self-consistency. Furthermore, TestNUC can be seamlessly integrated with existing test-time computing approaches, substantially boosting their performance. Our analysis reveals that TestNUC scales effectively with increasing amounts of unlabeled data and performs robustly across different embedding models, making it practical for real-world applications. Our code is available at https://github.com/HenryPengZou/TestNUC.
☆ A 106K Multi-Topic Multilingual Conversational User Dataset with Emoticons
Instant messaging has become a predominant form of communication, with texts and emoticons enabling users to express emotions and ideas efficiently. Emoticons, in particular, have gained significant traction as a medium for conveying sentiments and information, leading to the growing importance of emoticon retrieval and recommendation systems. However, one of the key challenges in this area has been the absence of datasets that capture both the temporal dynamics and user-specific interactions with emoticons, limiting the progress of personalized user modeling and recommendation approaches. To address this, we introduce the emoticon dataset, a comprehensive resource that includes time-based data along with anonymous user identifiers across different conversations. As the largest publicly accessible emoticon dataset to date, it comprises 22K unique users, 370K emoticons, and 8.3M messages. The data was collected from a widely-used messaging platform across 67 conversations and 720 hours of crawling. Strict privacy and safety checks were applied to ensure the integrity of both text and image data. Spanning across 10 distinct domains, the emoticon dataset provides rich insights into temporal, multilingual, and cross-domain behaviors, which were previously unavailable in other emoticon-based datasets. Our in-depth experiments, both quantitative and qualitative, demonstrate the dataset's potential in modeling user behavior and personalized recommendation systems, opening up new possibilities for research in personalized retrieval and conversational AI. The dataset is freely accessible.
☆ OntologyRAG: Better and Faster Biomedical Code Mapping with Retrieval-Augmented Generation (RAG) Leveraging Ontology Knowledge Graphs and Large Language Models ECIR 2025
Biomedical ontologies, which comprehensively define concepts and relations for biomedical entities, are crucial for structuring and formalizing domain-specific information representations. Biomedical code mapping identifies similarity or equivalence between concepts from different ontologies. Obtaining high-quality mapping usually relies on automatic generation of unrefined mapping with ontology domain fine-tuned language models (LMs), followed by manual selections or corrections by coding experts who have extensive domain expertise and familiarity with ontology schemas. The LMs usually provide unrefined code mapping suggestions as a list of candidates without reasoning or supporting evidence, hence coding experts still need to verify each suggested candidate against ontology sources to pick the best matches. This is also a recurring task as ontology sources are updated regularly to incorporate new research findings. Consequently, the need of regular LM retraining and manual refinement make code mapping time-consuming and labour intensive. In this work, we created OntologyRAG, an ontology-enhanced retrieval-augmented generation (RAG) method that leverages the inductive biases from ontological knowledge graphs for in-context-learning (ICL) in large language models (LLMs). Our solution grounds LLMs to knowledge graphs with unrefined mappings between ontologies and processes questions by generating an interpretable set of results that include prediction rational with mapping proximity assessment. Our solution doesn't require re-training LMs, as all ontology updates could be reflected by updating the knowledge graphs with a standard process. Evaluation results on a self-curated gold dataset show promises of using our method to enable coding experts to achieve better and faster code mapping. The code is available at https://github.com/iqvianlp/ontologyRAG.
comment: This paper has been accepted as a workshop paper for KEIR@ECIR 2025
☆ OneRec: Unifying Retrieve and Rank with Generative Recommender and Iterative Preference Alignment
Recently, generative retrieval-based recommendation systems have emerged as a promising paradigm. However, most modern recommender systems adopt a retrieve-and-rank strategy, where the generative model functions only as a selector during the retrieval stage. In this paper, we propose OneRec, which replaces the cascaded learning framework with a unified generative model. To the best of our knowledge, this is the first end-to-end generative model that significantly surpasses current complex and well-designed recommender systems in real-world scenarios. Specifically, OneRec includes: 1) an encoder-decoder structure, which encodes the user's historical behavior sequences and gradually decodes the videos that the user may be interested in. We adopt sparse Mixture-of-Experts (MoE) to scale model capacity without proportionally increasing computational FLOPs. 2) a session-wise generation approach. In contrast to traditional next-item prediction, we propose a session-wise generation, which is more elegant and contextually coherent than point-by-point generation that relies on hand-crafted rules to properly combine the generated results. 3) an Iterative Preference Alignment module combined with Direct Preference Optimization (DPO) to enhance the quality of the generated results. Unlike DPO in NLP, a recommendation system typically has only one opportunity to display results for each user's browsing request, making it impossible to obtain positive and negative samples simultaneously. To address this limitation, We design a reward model to simulate user generation and customize the sampling strategy. Extensive experiments have demonstrated that a limited number of DPO samples can align user interest preferences and significantly improve the quality of generated results. We deployed OneRec in the main scene of Kuaishou, achieving a 1.6\% increase in watch-time, which is a substantial improvement.
☆ A Multifacet Hierarchical Sentiment-Topic Model with Application to Multi-Brand Online Review Analysis
Multi-brand analysis based on review comments and ratings is a commonly used strategy to compare different brands in marketing. It can help consumers make more informed decisions and help marketers understand their brand's position in the market. In this work, we propose a multifacet hierarchical sentiment-topic model (MH-STM) to detect brand-associated sentiment polarities towards multiple comparative aspects from online customer reviews. The proposed method is built on a unified generative framework that explains review words with a hierarchical brand-associated topic model and the overall polarity score with a regression model on the empirical topic distribution. Moreover, a novel hierarchical Polya urn (HPU) scheme is proposed to enhance the topic-word association among topic hierarchy, such that the general topics shared by all brands are separated effectively from the unique topics specific to individual brands. The performance of the proposed method is evaluated on both synthetic data and two real-world review corpora. Experimental studies demonstrate that the proposed method can be effective in detecting reasonable topic hierarchy and deriving accurate brand-associated rankings on multi-aspects.
comment: 21 pages, 6 figures, 4 tables
☆ Hierarchical corpus encoder: Fusing generative retrieval and dense indices
Generative retrieval employs sequence models for conditional generation of document IDs based on a query (DSI (Tay et al., 2022); NCI (Wang et al., 2022); inter alia). While this has led to improved performance in zero-shot retrieval, it is a challenge to support documents not seen during training. We identify the performance of generative retrieval lies in contrastive training between sibling nodes in a document hierarchy. This motivates our proposal, the hierarchical corpus encoder (HCE), which can be supported by traditional dense encoders. Our experiments show that HCE achieves superior results than generative retrieval models under both unsupervised zero-shot and supervised settings, while also allowing the easy addition and removal of documents to the index.
☆ Intelligence Test
How does intelligence emerge? We propose that intelligence is not a sudden gift or random occurrence, but rather a necessary trait for species to survive through Natural Selection. If a species passes the test of Natural Selection, it demonstrates the intelligence to survive in nature. Extending this perspective, we introduce Intelligence Test, a method to quantify the intelligence of any subject on any task. Like how species evolve by trial and error, Intelligence Test quantifies intelligence by the number of failed attempts before success. Fewer failures correspond to higher intelligence. When the expectation and variance of failure counts are both finite, it signals the achievement of an autonomous level of intelligence. Using Intelligence Test, we comprehensively evaluate existing AI systems. Our results show that while AI systems achieve a level of autonomy in simple tasks, they are still far from autonomous in more complex tasks, such as vision, search, recommendation, and language. While scaling model size might help, this would come at an astronomical cost. Projections suggest that achieving general autonomy would require unimaginable $10^{26}$ parameters. Even if Moore's Law continuously holds, such a parameter scale would take $70$ years. This staggering cost highlights the complexity of human tasks and the inadequacies of current AI. To further understand this phenomenon, we conduct a theoretical analysis. Our simulations suggest that human tasks possess a criticality property. As a result, autonomy requires a deep understanding of the task's underlying mechanisms. Current AI, however, does not fully grasp these mechanisms and instead relies on superficial mimicry, making it difficult to reach an autonomous level. We believe Intelligence Test can not only guide the future development of AI but also offer profound insights into the intelligence of humans ourselves.
☆ On Aggregation Queries over Predicted Nearest Neighbors
We introduce Aggregation Queries over Nearest Neighbors (AQNNs), a novel type of aggregation queries over the predicted neighborhood of a designated object. AQNNs are prevalent in modern applications where, for instance, a medical professional may want to compute "the average systolic blood pressure of patients whose predicted condition is similar to a given insomnia patient". Since prediction typically involves an expensive deep learning model or a human expert, we formulate query processing as the problem of returning an approximate aggregate by combining an expensive oracle and a cheaper model (e.g, a simple ML model) to compute the predictions. We design the Sampler with Precision-Recall in Target (SPRinT) framework for answering AQNNs. SPRinT consists of sampling, nearest neighbor refinement, and aggregation, and is tailored for various aggregation functions. It enjoys provable theoretical guarantees, including bounds on sample size and on error in approximate aggregates. Our extensive experiments on medical, e-commerce, and video datasets demonstrate that SPRinT consistently achieves the lowest aggregation error with minimal computation cost compared to its baselines. Scalability results show that SPRinT's execution time and aggregation error remain stable as the dataset size increases, confirming its suitability for large-scale applications.
comment: 14 pages, 11 figures, 9 tables
☆ Training Large Recommendation Models via Graph-Language Token Alignment
Recommender systems (RS) have become essential tools for helping users efficiently navigate the overwhelming amount of information on e-commerce and social platforms. However, traditional RS relying on Collaborative Filtering (CF) struggles to integrate the rich semantic information from textual data. Meanwhile, large language models (LLMs) have shown promising results in natural language processing, but directly using LLMs for recommendation introduces challenges, such as ambiguity in generating item predictions and inefficiencies in scalability. In this paper, we propose a novel framework to train Large Recommendation models via Graph-Language Token Alignment. By aligning item and user nodes from the interaction graph with pretrained LLM tokens, GLTA effectively leverages the reasoning abilities of LLMs. Furthermore, we introduce Graph-Language Logits Matching (GLLM) to optimize token alignment for end-to-end item prediction, eliminating ambiguity in the free-form text as recommendation results. Extensive experiments on three benchmark datasets demonstrate the effectiveness of GLTA, with ablation studies validating each component.
comment: 5 pages. Accepted by www'25 as short paper
☆ AgentSociety Challenge: Designing LLM Agents for User Modeling and Recommendation on Web Platforms WWW '25
The AgentSociety Challenge is the first competition in the Web Conference that aims to explore the potential of Large Language Model (LLM) agents in modeling user behavior and enhancing recommender systems on web platforms. The Challenge consists of two tracks: the User Modeling Track and the Recommendation Track. Participants are tasked to utilize a combined dataset from Yelp, Amazon, and Goodreads, along with an interactive environment simulator, to develop innovative LLM agents. The Challenge has attracted 295 teams across the globe and received over 1,400 submissions in total over the course of 37 official competition days. The participants have achieved 21.9% and 20.3% performance improvement for Track 1 and Track 2 in the Development Phase, and 9.1% and 15.9% in the Final Phase, representing a significant accomplishment. This paper discusses the detailed designs of the Challenge, analyzes the outcomes, and highlights the most successful LLM agent designs. To support further research and development, we have open-sourced the benchmark environment at https://tsinghua-fib-lab.github.io/AgentSocietyChallenge.
comment: 8 pages, 10 figures, in Proceedings of the ACM Web Conference 2025 (WWW '25)
♻ ☆ EMPRA: Embedding Perturbation Rank Attack against Neural Ranking Models
Recent research has shown that neural information retrieval techniques may be susceptible to adversarial attacks. Adversarial attacks seek to manipulate the ranking of documents, with the intention of exposing users to targeted content. In this paper, we introduce the Embedding Perturbation Rank Attack (EMPRA) method, a novel approach designed to perform adversarial attacks on black-box Neural Ranking Models (NRMs). EMPRA manipulates sentence-level embeddings, guiding them towards pertinent context related to the query while preserving semantic integrity. This process generates adversarial texts that seamlessly integrate with the original content and remain imperceptible to humans. Our extensive evaluation conducted on the widely-used MS MARCO V1 passage collection demonstrate the effectiveness of EMPRA against a wide range of state-of-the-art baselines in promoting a specific set of target documents within a given ranked results. Specifically, EMPRA successfully achieves a re-ranking of almost 96% of target documents originally ranked between 51-100 to rank within the top 10. Furthermore, EMPRA does not depend on surrogate models for adversarial text generation, enhancing its robustness against different NRMs in realistic settings.
♻ ☆ Entropy and type-token ratio in gigaword corpora
There are different ways of measuring diversity in complex systems. In particular, in language, lexical diversity is characterized in terms of the type-token ratio and the word entropy. We here investigate both diversity metrics in six massive linguistic datasets in English, Spanish, and Turkish, consisting of books, news articles, and tweets. These gigaword corpora correspond to languages with distinct morphological features and differ in registers and genres, thus constituting a varied testbed for a quantitative approach to lexical diversity. We unveil an empirical functional relation between entropy and type-token ratio of texts of a given corpus and language, which is a consequence of the statistical laws observed in natural language. Further, in the limit of large text lengths we find an analytical expression for this relation relying on both Zipf and Heaps laws that agrees with our empirical findings.
comment: 15 pages, 10 figures, 8 tables
♻ ☆ Graceful forgetting: Memory as a process
A rational theory of memory is proposed to explain how we can accommodate unbounded sensory input within bounded storage space. Memory is stored as statistics, organized into complex structures that are constantly summarized and compressed to make room for new input. This process, driven by space constraints, is guided by heuristics that optimize the memory for future needs. Sensory input is rapidly encoded as simple statistics that are more slowly elaborated into more abstract constructs. This theory differs from previous accounts of memory by (a) its reliance on statistics, (b) its use of heuristics to guide the choice of statistics, and (c) the emphasis on memory as a process that is intensive, complex, and expensive. The theory is intended as an aid to make sense of our extensive knowledge of memory, and bring us closer to an understanding of memory in functional and mechanistic terms.
♻ ☆ Predicting Quality of Video Gaming Experience Using Global-Scale Telemetry Data and Federated Learning
Frames Per Second (FPS) significantly affects the gaming experience. Providing players with accurate FPS estimates prior to purchase benefits both players and game developers. However, we have a limited understanding of how to predict a game's FPS performance on a specific device. In this paper, we first conduct a comprehensive analysis of a wide range of factors that may affect game FPS on a global-scale dataset to identify the determinants of FPS. This includes player-side and game-side characteristics, as well as country-level socio-economic statistics. Furthermore, recognizing that accurate FPS predictions require extensive user data, which raises privacy concerns, we propose a federated learning-based model to ensure user privacy. Each player and game is assigned a unique learnable knowledge kernel that gradually extracts latent features for improved accuracy. We also introduce a novel training and prediction scheme that allows these kernels to be dynamically plug-and-play, effectively addressing cold start issues. To train this model with minimal bias, we collected a large telemetry dataset from 224 countries and regions, 100,000 users, and 835 games. Our model achieved a mean Wasserstein distance of 0.469 between predicted and ground truth FPS distributions, outperforming all baseline methods.
comment: 22 pages, 11 figures, 6 tables
♻ ☆ Lightning IR: Straightforward Fine-tuning and Inference of Transformer-based Language Models for Information Retrieval WSDM'25
A wide range of transformer-based language models have been proposed for information retrieval tasks. However, including transformer-based models in retrieval pipelines is often complex and requires substantial engineering effort. In this paper, we introduce Lightning IR, an easy-to-use PyTorch Lightning-based framework for applying transformer-based language models in retrieval scenarios. Lightning IR provides a modular and extensible architecture that supports all stages of a retrieval pipeline: from fine-tuning and indexing to searching and re-ranking. Designed to be scalable and reproducible, Lightning IR is available as open-source: https://github.com/webis-de/lightning-ir.
comment: Accepted as a demo at WSDM'25
♻ ☆ FinMTEB: Finance Massive Text Embedding Benchmark
Embedding models play a crucial role in representing and retrieving information across various NLP applications. Recent advances in large language models (LLMs) have further enhanced the performance of embedding models. While these models are often benchmarked on general-purpose datasets, real-world applications demand domain-specific evaluation. In this work, we introduce the Finance Massive Text Embedding Benchmark (FinMTEB), a specialized counterpart to MTEB designed for the financial domain. FinMTEB comprises 64 financial domain-specific embedding datasets across 7 tasks that cover diverse textual types in both Chinese and English, such as financial news articles, corporate annual reports, ESG reports, regulatory filings, and earnings call transcripts. We also develop a finance-adapted model, Fin-E5, using a persona-based data synthetic method to cover diverse financial embedding tasks for training. Through extensive evaluation of 15 embedding models, including Fin-E5, we show three key findings: (1) performance on general-purpose benchmarks shows limited correlation with financial domain tasks; (2) domain-adapted models consistently outperform their general-purpose counterparts; and (3) surprisingly, a simple Bag-of-Words (BoW) approach outperforms sophisticated dense embeddings in financial Semantic Textual Similarity (STS) tasks, underscoring current limitations in dense embedding techniques. Our work establishes a robust evaluation framework for financial NLP applications and provides crucial insights for developing domain-specific embedding models.
comment: https://github.com/yixuantt/FinMTEB
♻ ☆ Reproducibility in Machine Learning-based Research: Overview, Barriers and Drivers
Many research fields are currently reckoning with issues of poor levels of reproducibility. Some label it a "crisis", and research employing or building Machine Learning (ML) models is no exception. Issues including lack of transparency, data or code, poor adherence to standards, and the sensitivity of ML training conditions mean that many papers are not even reproducible in principle. Where they are, though, reproducibility experiments have found worryingly low degrees of similarity with original results. Despite previous appeals from ML researchers on this topic and various initiatives from conference reproducibility tracks to the ACM's new Emerging Interest Group on Reproducibility and Replicability, we contend that the general community continues to take this issue too lightly. Poor reproducibility threatens trust in and integrity of research results. Therefore, in this article, we lay out a new perspective on the key barriers and drivers (both procedural and technical) to increased reproducibility at various levels (methods, code, data, and experiments). We then map the drivers to the barriers to give concrete advice for strategies for researchers to mitigate reproducibility issues in their own work, to lay out key areas where further research is needed in specific areas, and to further ignite discussion on the threat presented by these urgent issues.
comment: Accepted for publication in the AI Magazine
♻ ☆ AiSAQ: All-in-Storage ANNS with Product Quantization for DRAM-free Information Retrieval
Graph-based approximate nearest neighbor search (ANNS) algorithms work effectively against large-scale vector retrieval. Among such methods, DiskANN achieves good recall-speed tradeoffs using both DRAM and storage. DiskANN adopts product quantization (PQ) to reduce memory usage, which is still proportional to the scale of datasets. In this paper, we propose All-in-Storage ANNS with Product Quantization (AiSAQ), which offloads compressed vectors to the SSD index. Our method achieves $\sim$10 MB memory usage in query search with billion-scale datasets without critical latency degradation. AiSAQ also reduces the index load time for query search preparation, which enables fast switch between muitiple billion-scale indices.This method can be applied to retrievers of retrieval-augmented generation (RAG) and be scaled out with multiple-server systems for emerging datasets. Our DiskANN-based implementation is available on GitHub.
comment: 6 pages, 8 figures and 5 tables
♻ ☆ AURO: Reinforcement Learning for Adaptive User Retention Optimization in Recommender Systems
The field of Reinforcement Learning (RL) has garnered increasing attention for its ability of optimizing user retention in recommender systems. A primary obstacle in this optimization process is the environment non-stationarity stemming from the continual and complex evolution of user behavior patterns over time, such as variations in interaction rates and retention propensities. These changes pose significant challenges to existing RL algorithms for recommendations, leading to issues with dynamics and reward distribution shifts. This paper introduces a novel approach called \textbf{A}daptive \textbf{U}ser \textbf{R}etention \textbf{O}ptimization (AURO) to address this challenge. To navigate the recommendation policy in non-stationary environments, AURO introduces an state abstraction module in the policy network. The module is trained with a new value-based loss function, aligning its output with the estimated performance of the current policy. As the policy performance of RL is sensitive to environment drifts, the loss function enables the state abstraction to be reflective of environment changes and notify the recommendation policy to adapt accordingly. Additionally, the non-stationarity of the environment introduces the problem of implicit cold start, where the recommendation policy continuously interacts with users displaying novel behavior patterns. AURO encourages exploration guarded by performance-based rejection sampling to maintain a stable recommendation quality in the cost-sensitive online environment. Extensive empirical analysis are conducted in a user retention simulator, the MovieLens dataset, and a live short-video recommendation platform, demonstrating AURO's superior performance against all evaluated baseline algorithms.
comment: The Web Conference 2025 (Oral)
♻ ☆ RouterRetriever: Routing over a Mixture of Expert Embedding Models AAAI 2025
Information retrieval methods often rely on a single embedding model trained on large, general-domain datasets like MSMARCO. While this approach can produce a retriever with reasonable overall performance, they often underperform models trained on domain-specific data when testing on their respective domains. Prior work in information retrieval has tackled this through multi-task training, but the idea of routing over a mixture of domain-specific expert retrievers remains unexplored despite the popularity of such ideas in language model generation research. In this work, we introduce RouterRetriever, a retrieval model that leverages a mixture of domain-specific experts by using a routing mechanism to select the most appropriate expert for each query. RouterRetriever is lightweight and allows easy addition or removal of experts without additional training. Evaluation on the BEIR benchmark demonstrates that RouterRetriever outperforms both models trained on MSMARCO (+2.1 absolute nDCG@10) and multi-task models (+3.2). This is achieved by employing our routing mechanism, which surpasses other routing techniques (+1.8 on average) commonly used in language modeling. Furthermore, the benefit generalizes well to other datasets, even in the absence of a specific expert on the dataset. RouterRetriever is the first work to demonstrate the advantages of routing over a mixture of domain-specific expert embedding models as an alternative to a single, general-purpose embedding model, especially when retrieving from diverse, specialized domains.
comment: published at AAAI 2025
♻ ☆ Efficient Inference for Large Language Model-based Generative Recommendation ICLR 2025
Large Language Model (LLM)-based generative recommendation has achieved notable success, yet its practical deployment is costly particularly due to excessive inference latency caused by autoregressive decoding. For lossless LLM decoding acceleration, Speculative Decoding (SD) has emerged as a promising solution. However, applying SD to generative recommendation presents unique challenges due to the requirement of generating top-K items (i.e., K distinct token sequences) as a recommendation list by beam search. This leads to more stringent verification in SD, where all the top-K sequences from the target LLM must be successfully drafted by the draft model at each decoding step. To alleviate this, we consider 1) boosting top-K sequence alignment between the draft model and the target LLM, and 2) relaxing the verification strategy to reduce trivial LLM calls. To this end, we propose an alignment framework named AtSpeed, which presents the AtSpeed-S optimization objective for top-K alignment under the strict top-K verification. Moreover, we introduce a relaxed sampling verification strategy that allows high-probability non-top-K drafted sequences to be accepted, significantly reducing LLM calls. Correspondingly, we propose AtSpeed-R for top-K alignment under this relaxed sampling verification. Empirical results on two real-world datasets demonstrate that AtSpeed significantly accelerates LLM-based generative recommendation, e.g., near 2x speedup under strict top-K verification and up to 2.5x speedup under relaxed sampling verification. The codes and datasets are released at https://github.com/Linxyhaha/AtSpeed.
comment: Accepted by ICLR 2025
♻ ☆ TALKPLAY: Multimodal Music Recommendation with Large Language Models
We present TalkPlay, a multimodal music recommendation system that reformulates the recommendation task as large language model token generation. TalkPlay represents music through an expanded token vocabulary that encodes multiple modalities - audio, lyrics, metadata, semantic tags, and playlist co-occurrence. Using these rich representations, the model learns to generate recommendations through next-token prediction on music recommendation conversations, that requires learning the associations natural language query and response, as well as music items. In other words, the formulation transforms music recommendation into a natural language understanding task, where the model's ability to predict conversation tokens directly optimizes query-item relevance. Our approach eliminates traditional recommendation-dialogue pipeline complexity, enabling end-to-end learning of query-aware music recommendations. In the experiment, TalkPlay is successfully trained and outperforms baseline methods in various aspects, demonstrating strong context understanding as a conversational music recommender.
Information Retrieval 24
☆ A Cooperative Multi-Agent Framework for Zero-Shot Named Entity Recognition WWW 2025
Zero-shot named entity recognition (NER) aims to develop entity recognition systems from unannotated text corpora. This task presents substantial challenges due to minimal human intervention. Recent work has adapted large language models (LLMs) for zero-shot NER by crafting specialized prompt templates. It advances model self-learning abilities by incorporating self-annotated demonstrations. However, two important challenges persist: (i) Correlations between contexts surrounding entities are overlooked, leading to wrong type predictions or entity omissions. (ii) The indiscriminate use of task demonstrations, retrieved through shallow similarity-based strategies, severely misleads LLMs during inference. In this paper, we introduce the cooperative multi-agent system (CMAS), a novel framework for zero-shot NER that uses the collective intelligence of multiple agents to address the challenges outlined above. CMAS has four main agents: (i) a self-annotator, (ii) a type-related feature (TRF) extractor, (iii) a demonstration discriminator, and (iv) an overall predictor. To explicitly capture correlations between contexts surrounding entities, CMAS reformulates NER into two subtasks: recognizing named entities and identifying entity type-related features within the target sentence. To enable controllable utilization of demonstrations, a demonstration discriminator is established to incorporate the self-reflection mechanism, automatically evaluating helpfulness scores for the target sentence. Experimental results show that CMAS significantly improves zero-shot NER performance across six benchmarks, including both domain-specific and general-domain scenarios. Furthermore, CMAS demonstrates its effectiveness in few-shot settings and with various LLM backbones.
comment: Accepted at WWW 2025
☆ DRAMA: Diverse Augmentation from Large Language Models to Smaller Dense Retrievers
Large language models (LLMs) have demonstrated strong effectiveness and robustness while fine-tuned as dense retrievers. However, their large parameter size brings significant inference time computational challenges, including high encoding costs for large-scale corpora and increased query latency, limiting their practical deployment. While smaller retrievers offer better efficiency, they often fail to generalize effectively with limited supervised fine-tuning data. In this work, we introduce DRAMA, a training framework that leverages LLMs to train smaller generalizable dense retrievers. In particular, we adopt pruned LLMs as the backbone and train on diverse LLM-augmented data in a single-stage contrastive learning setup. Experiments show that DRAMA offers better multilingual and long-context capabilities than traditional encoder-based retrievers, and achieves strong performance across multiple tasks and languages. These highlight the potential of connecting the training of smaller retrievers with the growing advancements in LLMs, bridging the gap between efficiency and generalization.
☆ Rank1: Test-Time Compute for Reranking in Information Retrieval
We introduce Rank1, the first reranking model trained to take advantage of test-time compute. Rank1 demonstrates the applicability within retrieval of using a reasoning language model (i.e. OpenAI's o1, Deepseek's R1, etc.) for distillation in order to rapidly improve the performance of a smaller model. We gather and open-source a dataset of more than 600,000 examples of R1 reasoning traces from queries and passages in MS MARCO. Models trained on this dataset show: (1) state-of-the-art performance on advanced reasoning and instruction following datasets; (2) work remarkably well out of distribution due to the ability to respond to user-input prompts; and (3) have explainable reasoning chains that can be given to users or RAG-based systems. Further, we demonstrate that quantized versions of these models retain strong performance while using less compute/memory. Overall, Rank1 shows that test-time compute allows for a fundamentally new type of explainable and performant reranker model for search.
☆ A Unified Bayesian Perspective for Conventional and Robust Adaptive Filters
In this work, we present a new perspective on the origin and interpretation of adaptive filters. By applying Bayesian principles of recursive inference from the state-space model and using a series of simplifications regarding the structure of the solution, we can present, in a unified framework, derivations of many adaptive filters which depend on the probabilistic model of the observational noise. In particular, under a Gaussian model, we obtain solutions well-known in the literature (such as LMS, NLMS, or Kalman filter), while using non-Gaussian noise, we obtain new families of adaptive filter. Notably, under assumption of Laplacian noise, we obtain a family of robust filters of which the signed-error algorithm is a well-known member, while other algorithms, derived effortlessly in the proposed framework, are entirely new. Numerical examples are shown to illustrate the properties and provide a better insight into the performance of the derived adaptive filters.
☆ How Vital is the Jurisprudential Relevance: Law Article Intervened Legal Case Retrieval and Matching
Legal case retrieval (LCR) aims to automatically scour for comparable legal cases based on a given query, which is crucial for offering relevant precedents to support the judgment in intelligent legal systems. Due to similar goals, it is often associated with a similar case matching (LCM) task. To address them, a daunting challenge is assessing the uniquely defined legal-rational similarity within the judicial domain, which distinctly deviates from the semantic similarities in general text retrieval. Past works either tagged domain-specific factors or incorporated reference laws to capture legal-rational information. However, their heavy reliance on expert or unrealistic assumptions restricts their practical applicability in real-world scenarios. In this paper, we propose an end-to-end model named LCM-LAI to solve the above challenges. Through meticulous theoretical analysis, LCM-LAI employs a dependent multi-task learning framework to capture legal-rational information within legal cases by a law article prediction (LAP) sub-task, without any additional assumptions in inference. Besides, LCM-LAI proposes an article-aware attention mechanism to evaluate the legal-rational similarity between across-case sentences based on law distribution, which is more effective than conventional semantic similarity. Weperform a series of exhaustive experiments including two different tasks involving four real-world datasets. Results demonstrate that LCM-LAI achieves state-of-the-art performance.
☆ Neural Network Graph Similarity Computation Based on Graph Fusion
Graph similarity learning, crucial for tasks such as graph classification and similarity search, focuses on measuring the similarity between two graph-structured entities. The core challenge in this field is effectively managing the interactions between graphs. Traditional methods often entail separate, redundant computations for each graph pair, leading to unnecessary complexity. This paper revolutionizes the approach by introducing a parallel graph interaction method called graph fusion. By merging the node sequences of graph pairs into a single large graph, our method leverages a global attention mechanism to facilitate interaction computations and to harvest cross-graph insights. We further assess the similarity between graph pairs at two distinct levels-graph-level and node-level-introducing two innovative, yet straightforward, similarity computation algorithms. Extensive testing across five public datasets shows that our model not only outperforms leading baseline models in graph-to-graph classification and regression tasks but also sets a new benchmark for performance and efficiency. The code for this paper is open-source and available at https://github.com/LLiRarry/GFM-code.git
comment: 9 pages, 4 figures, 4 tables
☆ PII-Bench: Evaluating Query-Aware Privacy Protection Systems
The widespread adoption of Large Language Models (LLMs) has raised significant privacy concerns regarding the exposure of personally identifiable information (PII) in user prompts. To address this challenge, we propose a query-unrelated PII masking strategy and introduce PII-Bench, the first comprehensive evaluation framework for assessing privacy protection systems. PII-Bench comprises 2,842 test samples across 55 fine-grained PII categories, featuring diverse scenarios from single-subject descriptions to complex multi-party interactions. Each sample is carefully crafted with a user query, context description, and standard answer indicating query-relevant PII. Our empirical evaluation reveals that while current models perform adequately in basic PII detection, they show significant limitations in determining PII query relevance. Even state-of-the-art LLMs struggle with this task, particularly in handling complex multi-subject scenarios, indicating substantial room for improvement in achieving intelligent PII masking.
☆ LevelRAG: Enhancing Retrieval-Augmented Generation with Multi-hop Logic Planning over Rewriting Augmented Searchers
Retrieval-Augmented Generation (RAG) is a crucial method for mitigating hallucinations in Large Language Models (LLMs) and integrating external knowledge into their responses. Existing RAG methods typically employ query rewriting to clarify the user intent and manage multi-hop logic, while using hybrid retrieval to expand search scope. However, the tight coupling of query rewriting to the dense retriever limits its compatibility with hybrid retrieval, impeding further RAG performance improvements. To address this challenge, we introduce a high-level searcher that decomposes complex queries into atomic queries, independent of any retriever-specific optimizations. Additionally, to harness the strengths of sparse retrievers for precise keyword retrieval, we have developed a new sparse searcher that employs Lucene syntax to enhance retrieval accuracy.Alongside web and dense searchers, these components seamlessly collaborate within our proposed method, \textbf{LevelRAG}. In LevelRAG, the high-level searcher orchestrates the retrieval logic, while the low-level searchers (sparse, web, and dense) refine the queries for optimal retrieval. This approach enhances both the completeness and accuracy of the retrieval process, overcoming challenges associated with current query rewriting techniques in hybrid retrieval scenarios. Empirical experiments conducted on five datasets, encompassing both single-hop and multi-hop question answering tasks, demonstrate the superior performance of LevelRAG compared to existing RAG methods. Notably, LevelRAG outperforms the state-of-the-art proprietary model, GPT4o, underscoring its effectiveness and potential impact on the RAG field.
comment: First submit
☆ HyperG: Hypergraph-Enhanced LLMs for Structured Knowledge
Given that substantial amounts of domain-specific knowledge are stored in structured formats, such as web data organized through HTML, Large Language Models (LLMs) are expected to fully comprehend this structured information to broaden their applications in various real-world downstream tasks. Current approaches for applying LLMs to structured data fall into two main categories: serialization-based and operation-based methods. Both approaches, whether relying on serialization or using SQL-like operations as an intermediary, encounter difficulties in fully capturing structural relationships and effectively handling sparse data. To address these unique characteristics of structured data, we propose HyperG, a hypergraph-based generation framework aimed at enhancing LLMs' ability to process structured knowledge. Specifically, HyperG first augment sparse data with contextual information, leveraging the generative power of LLMs, and incorporate a prompt-attentive hypergraph learning (PHL) network to encode both the augmented information and the intricate structural relationships within the data. To validate the effectiveness and generalization of HyperG, we conduct extensive experiments across two different downstream tasks requiring structured knowledge.
☆ AfroXLMR-Comet: Multilingual Knowledge Distillation with Attention Matching for Low-Resource languages
Language model compression through knowledge distillation has emerged as a promising approach for deploying large language models in resource-constrained environments. However, existing methods often struggle to maintain performance when distilling multilingual models, especially for low-resource languages. In this paper, we present a novel hybrid distillation approach that combines traditional knowledge distillation with a simplified attention matching mechanism, specifically designed for multilingual contexts. Our method introduces an extremely compact student model architecture, significantly smaller than conventional multilingual models. We evaluate our approach on five African languages: Kinyarwanda, Swahili, Hausa, Igbo, and Yoruba. The distilled student model; AfroXLMR-Comet successfully captures both the output distribution and internal attention patterns of a larger teacher model (AfroXLMR-Large) while reducing the model size by over 85%. Experimental results demonstrate that our hybrid approach achieves competitive performance compared to the teacher model, maintaining an accuracy within 85% of the original model's performance while requiring substantially fewer computational resources. Our work provides a practical framework for deploying efficient multilingual models in resource-constrained environments, particularly benefiting applications involving African languages.
☆ ViDoRAG: Visual Document Retrieval-Augmented Generation via Dynamic Iterative Reasoning Agents
Understanding information from visually rich documents remains a significant challenge for traditional Retrieval-Augmented Generation (RAG) methods. Existing benchmarks predominantly focus on image-based question answering (QA), overlooking the fundamental challenges of efficient retrieval, comprehension, and reasoning within dense visual documents. To bridge this gap, we introduce ViDoSeek, a novel dataset designed to evaluate RAG performance on visually rich documents requiring complex reasoning. Based on it, we identify key limitations in current RAG approaches: (i) purely visual retrieval methods struggle to effectively integrate both textual and visual features, and (ii) previous approaches often allocate insufficient reasoning tokens, limiting their effectiveness. To address these challenges, we propose ViDoRAG, a novel multi-agent RAG framework tailored for complex reasoning across visual documents. ViDoRAG employs a Gaussian Mixture Model (GMM)-based hybrid strategy to effectively handle multi-modal retrieval. To further elicit the model's reasoning capabilities, we introduce an iterative agent workflow incorporating exploration, summarization, and reflection, providing a framework for investigating test-time scaling in RAG domains. Extensive experiments on ViDoSeek validate the effectiveness and generalization of our approach. Notably, ViDoRAG outperforms existing methods by over 10% on the competitive ViDoSeek benchmark.
☆ MAGE: Multi-Head Attention Guided Embeddings for Low Resource Sentiment Classification
Due to the lack of quality data for low-resource Bantu languages, significant challenges are presented in text classification and other practical implementations. In this paper, we introduce an advanced model combining Language-Independent Data Augmentation (LiDA) with Multi-Head Attention based weighted embeddings to selectively enhance critical data points and improve text classification performance. This integration allows us to create robust data augmentation strategies that are effective across various linguistic contexts, ensuring that our model can handle the unique syntactic and semantic features of Bantu languages. This approach not only addresses the data scarcity issue but also sets a foundation for future research in low-resource language processing and classification tasks.
☆ On Synthetic Data Strategies for Domain-Specific Generative Retrieval
This paper investigates synthetic data generation strategies in developing generative retrieval models for domain-specific corpora, thereby addressing the scalability challenges inherent in manually annotating in-domain queries. We study the data strategies for a two-stage training framework: in the first stage, which focuses on learning to decode document identifiers from queries, we investigate LLM-generated queries across multiple granularity (e.g. chunks, sentences) and domain-relevant search constraints that can better capture nuanced relevancy signals. In the second stage, which aims to refine document ranking through preference learning, we explore the strategies for mining hard negatives based on the initial model's predictions. Experiments on public datasets over diverse domains demonstrate the effectiveness of our synthetic data generation and hard negative sampling approach.
☆ Unmasking Gender Bias in Recommendation Systems and Enhancing Category-Aware Fairness
Recommendation systems are now an integral part of our daily lives. We rely on them for tasks such as discovering new movies, finding friends on social media, and connecting job seekers with relevant opportunities. Given their vital role, we must ensure these recommendations are free from societal stereotypes. Therefore, evaluating and addressing such biases in recommendation systems is crucial. Previous work evaluating the fairness of recommended items fails to capture certain nuances as they mainly focus on comparing performance metrics for different sensitive groups. In this paper, we introduce a set of comprehensive metrics for quantifying gender bias in recommendations. Specifically, we show the importance of evaluating fairness on a more granular level, which can be achieved using our metrics to capture gender bias using categories of recommended items like genres for movies. Furthermore, we show that employing a category-aware fairness metric as a regularization term along with the main recommendation loss during training can help effectively minimize bias in the models' output. We experiment on three real-world datasets, using five baseline models alongside two popular fairness-aware models, to show the effectiveness of our metrics in evaluating gender bias. Our metrics help provide an enhanced insight into bias in recommended items compared to previous metrics. Additionally, our results demonstrate how incorporating our regularization term significantly improves the fairness in recommendations for different categories without substantial degradation in overall recommendation performance.
☆ FilterRAG: Zero-Shot Informed Retrieval-Augmented Generation to Mitigate Hallucinations in VQA
Visual Question Answering requires models to generate accurate answers by integrating visual and textual understanding. However, VQA models still struggle with hallucinations, producing convincing but incorrect answers, particularly in knowledge-driven and Out-of-Distribution scenarios. We introduce FilterRAG, a retrieval-augmented framework that combines BLIP-VQA with Retrieval-Augmented Generation to ground answers in external knowledge sources like Wikipedia and DBpedia. FilterRAG achieves 36.5% accuracy on the OK-VQA dataset, demonstrating its effectiveness in reducing hallucinations and improving robustness in both in-domain and Out-of-Distribution settings. These findings highlight the potential of FilterRAG to improve Visual Question Answering systems for real-world deployment.
comment: 12 pages, 6 figures and 2 tables
☆ Creator-Side Recommender System: Challenges, Designs, and Applications
Users and creators are two crucial components of recommender systems. Typical recommender systems focus on the user side, providing the most suitable items based on each user's request. In such scenarios, a few items receive a majority of exposures, while many items receive very few. This imbalance leads to poorer experiences and decreased activity among the creators receiving less feedback, harming the recommender system in the long term. To this end, we develop a creator-side recommender system, called DualRec, to answer the following question: how to find the most suitable users for each item to enhance the creators' experience? We show that typical user-side recommendation algorithms, such as retrieval and ranking algorithms, can be adapted into the creator-side versions with just a few modifications. This greatly simplifies algorithm design in DualRec. Moreover, we discuss a unique challenge in DualRec: the user availability issue, which is not present in user-side recommender systems. To tackle this issue, we incorporate a user availability calculation (UAC) module to effectively enhance DualRec's performance. DualRec has already been implemented in Kwai, a short video recommendation system with over 100 millions user and over 10 million creators, significantly improving the experience for creators.
comment: 9 pages and 9 figures
☆ Tip of the Tongue Query Elicitation for Simulated Evaluation
Tip-of-the-tongue (TOT) search occurs when a user struggles to recall a specific identifier, such as a document title. While common, existing search systems often fail to effectively support TOT scenarios. Research on TOT retrieval is further constrained by the challenge of collecting queries, as current approaches rely heavily on community question-answering (CQA) websites, leading to labor-intensive evaluation and domain bias. To overcome these limitations, we introduce two methods for eliciting TOT queries - leveraging large language models (LLMs) and human participants - to facilitate simulated evaluations of TOT retrieval systems. Our LLM-based TOT user simulator generates synthetic TOT queries at scale, achieving high correlations with how CQA-based TOT queries rank TOT retrieval systems when tested in the Movie domain. Additionally, these synthetic queries exhibit high linguistic similarity to CQA-derived queries. For human-elicited queries, we developed an interface that uses visual stimuli to place participants in a TOT state, enabling the collection of natural queries. In the Movie domain, system rank correlation and linguistic similarity analyses confirm that human-elicited queries are both effective and closely resemble CQA-based queries. These approaches reduce reliance on CQA-based data collection while expanding coverage to underrepresented domains, such as Landmark and Person. LLM-elicited queries for the Movie, Landmark, and Person domains have been released as test queries in the TREC 2024 TOT track, with human-elicited queries scheduled for inclusion in the TREC 2025 TOT track. Additionally, we provide source code for synthetic query generation and the human query collection interface, along with curated visual stimuli used for eliciting TOT queries.
♻ ☆ Modeling and Analyzing the Influence of Non-Item Pages on Sequential Next-Item Prediction
Analyzing sequences of interactions between users and items, sequential recommendation models can learn user intent and make predictions about the next item. Next to item interactions, most systems also have interactions with what we call non-item pages: these pages are not related to specific items but still can provide insights into the user's interests, as, for example, navigation pages. We therefore propose a general way to include these non-item pages in sequential recommendation models to enhance next-item prediction. First, we demonstrate the influence of non-item pages on following interactions using the hypotheses testing framework HypTrails and propose methods for representing non-item pages in sequential recommendation models. Subsequently, we adapt popular sequential recommender models to integrate non-item pages and investigate their performance with different item representation strategies as well as their ability to handle noisy data. To show the general capabilities of the models to integrate non-item pages, we create a synthetic dataset for a controlled setting and then evaluate the improvements from including non-item pages on two real-world datasets. Our results show that non-item pages are a valuable source of information, and incorporating them in sequential recommendation models increases the performance of next-item prediction across all analyzed model architectures.
comment: 40 pages, 19 figures; Accepted for ACM TORS Journal
♻ ☆ Topic-FlipRAG: Topic-Orientated Adversarial Opinion Manipulation Attacks to Retrieval-Augmented Generation Models
Retrieval-Augmented Generation (RAG) systems based on Large Language Models (LLMs) have become essential for tasks such as question answering and content generation. However, their increasing impact on public opinion and information dissemination has made them a critical focus for security research due to inherent vulnerabilities. Previous studies have predominantly addressed attacks targeting factual or single-query manipulations. In this paper, we address a more practical scenario: topic-oriented adversarial opinion manipulation attacks on RAG models, where LLMs are required to reason and synthesize multiple perspectives, rendering them particularly susceptible to systematic knowledge poisoning. Specifically, we propose Topic-FlipRAG, a two-stage manipulation attack pipeline that strategically crafts adversarial perturbations to influence opinions across related queries. This approach combines traditional adversarial ranking attack techniques and leverages the extensive internal relevant knowledge and reasoning capabilities of LLMs to execute semantic-level perturbations. Experiments show that the proposed attacks effectively shift the opinion of the model's outputs on specific topics, significantly impacting user information perception. Current mitigation methods cannot effectively defend against such attacks, highlighting the necessity for enhanced safeguards for RAG systems, and offering crucial insights for LLM security research.
♻ ☆ HyPA-RAG: A Hybrid Parameter Adaptive Retrieval-Augmented Generation System for AI Legal and Policy Applications NAACL 2025
Large Language Models (LLMs) face limitations in AI legal and policy applications due to outdated knowledge, hallucinations, and poor reasoning in complex contexts. Retrieval-Augmented Generation (RAG) systems address these issues by incorporating external knowledge, but suffer from retrieval errors, ineffective context integration, and high operational costs. This paper presents the Hybrid Parameter-Adaptive RAG (HyPA-RAG) system, designed for the AI legal domain, with NYC Local Law 144 (LL144) as the test case. HyPA-RAG integrates a query complexity classifier for adaptive parameter tuning, a hybrid retrieval approach combining dense, sparse, and knowledge graph methods, and a comprehensive evaluation framework with tailored question types and metrics. Testing on LL144 demonstrates that HyPA-RAG enhances retrieval accuracy, response fidelity, and contextual precision, offering a robust and adaptable solution for high-stakes legal and policy applications.
comment: NAACL 2025 Industry Track & EMNLP 2024 CustomNLP4U Workshop
♻ ☆ Collaboration of Large Language Models and Small Recommendation Models for Device-Cloud Recommendation KDD'25
Large Language Models (LLMs) for Recommendation (LLM4Rec) is a promising research direction that has demonstrated exceptional performance in this field. However, its inability to capture real-time user preferences greatly limits the practical application of LLM4Rec because (i) LLMs are costly to train and infer frequently, and (ii) LLMs struggle to access real-time data (its large number of parameters poses an obstacle to deployment on devices). Fortunately, small recommendation models (SRMs) can effectively supplement these shortcomings of LLM4Rec diagrams by consuming minimal resources for frequent training and inference, and by conveniently accessing real-time data on devices. In light of this, we designed the Device-Cloud LLM-SRM Collaborative Recommendation Framework (LSC4Rec) under a device-cloud collaboration setting. LSC4Rec aims to integrate the advantages of both LLMs and SRMs, as well as the benefits of cloud and edge computing, achieving a complementary synergy. We enhance the practicability of LSC4Rec by designing three strategies: collaborative training, collaborative inference, and intelligent request. During training, LLM generates candidate lists to enhance the ranking ability of SRM in collaborative scenarios and enables SRM to update adaptively to capture real-time user interests. During inference, LLM and SRM are deployed on the cloud and on the device, respectively. LLM generates candidate lists and initial ranking results based on user behavior, and SRM get reranking results based on the candidate list, with final results integrating both LLM's and SRM's scores. The device determines whether a new candidate list is needed by comparing the consistency of the LLM's and SRM's sorted lists. Our comprehensive and extensive experimental analysis validates the effectiveness of each strategy in LSC4Rec.
comment: Published on KDD'25: Proceedings of the ACM SIGKDD Conference on Knowledge Discovery and Data Mining 2025
♻ ☆ Towards Fair RAG: On the Impact of Fair Ranking in Retrieval-Augmented Generation NeurIPS 2024
Modern language models frequently include retrieval components to improve their outputs, giving rise to a growing number of retrieval-augmented generation (RAG) systems. Yet, most existing work in RAG has underemphasized fair ranking techniques and neglected the diverse interests of all stakeholders. In this paper, we present the first comprehensive study of RAG systems that incorporate fairness-aware rankings, focusing on both ranking fairness and attribution fairness - ensuring equitable exposure of sources cited in the final text. We specifically examine item-side fairness, i.e., whether retrieved documents receive balanced exposure, and assess how this affects both the system's overall performance and the eventual distribution of cited sources. Across twelve RAG models and seven tasks, we find that fairness-aware retrieval frequently retains or even improves ranking effectiveness and generation quality, countering the widespread belief that fairness compromises system performance. Moreover, we show that fair retrieval leads to more balanced attribution in the final responses, ensuring that the cited sources are credited more equitably. Our results underscore the importance of item-side fairness throughout both retrieval and generation phases, offering key insights for building more responsible and equitable RAG systems and illustrating promising avenues for future exploration in fair ranking and source attribution.
comment: Top 5 Spotlight at AFME Workshop at NeurIPS 2024
♻ ☆ Contrastive Learning Augmented Social Recommendations
Recommender systems play a pivotal role in modern content platforms, yet traditional behavior-based models often face challenges in addressing cold users with sparse interaction data. Engaging these users, however, remains critical for sustaining platform growth. To tackle this issue, we propose leveraging reconstructed social graph to complement interest representations derived from behavioral data. Despite the widespread availability of social graphs on content platforms, their utility is hindered by social-relation noise and inconsistencies between social and behavioral interests. To mitigate noise propagation in graph data and extract reliable social interests, we introduce a dual-view denoising framework. This approach first applies low-rank singular value decomposition (SVD) to the user-item interaction matrix, generating denoised user embeddings for reconstructing the social graph. It then employs contrastive learning to align the original and reconstructed social graphs. To address the discrepancy between social and behavioral interests, we utilize a mutual distillation mechanism that decomposes interests into four subcategories: aligned social/behavioral interests and social/behavioral-specific interests, enabling effective integration of the two. Empirical results demonstrate the efficacy of our method, particularly in improving recommendations for cold users, by combining social and behavioral data. The implementation of our approach is publicly available at https://github.com/WANGLin0126/CLSRec.
♻ ☆ NV-Embed: Improved Techniques for Training LLMs as Generalist Embedding Models ICLR 2025
Decoder-only LLM-based embedding models are beginning to outperform BERT or T5-based embedding models in general-purpose text embedding tasks, including dense vector-based retrieval. In this work, we introduce NV-Embed, incorporating architectural designs, training procedures, and curated datasets to significantly enhance the performance of LLM as a versatile embedding model, while maintaining its simplicity and reproducibility. For model architecture, we propose a latent attention layer to obtain pooled embeddings, which consistently improves retrieval and downstream task accuracy compared to mean pooling or using the last token embedding from LLMs. To enhance representation learning, we remove the causal attention mask of LLMs during contrastive training. For training algorithm, we introduce a two-stage contrastive instruction-tuning method. It first applies contrastive training with instructions on retrieval datasets, utilizing in-batch negatives and curated hard negative examples. At stage-2, it blends various non-retrieval into instruction tuning, which not only enhances non-retrieval task accuracy but also improves retrieval performance. For training data, we utilize the hard-negative mining, synthetic data generation and existing public available datasets to boost the performance of embedding model. By combining these techniques, our NV-Embed-v1 and NV-Embed-v2 models obtained the No.1 position on the MTEB leaderboard (as of May 24 and August 30, 2024, respectively) across 56 tasks, demonstrating the sustained effectiveness of the proposed methods over time. It also achieved the highest scores in the Long Doc section and the second-highest scores in the QA section of the AIR Benchmark, which covers a range of out-of-domain information retrieval topics beyond those in MTEB. We further provide the analysis of model compression techniques for generalist embedding models.
comment: ICLR 2025 (Spotlight). We open-source the model at: https://huggingface.co/nvidia/NV-Embed-v2
Information Retrieval 13
☆ The GigaMIDI Dataset with Features for Expressive Music Performance Detection
The Musical Instrument Digital Interface (MIDI), introduced in 1983, revolutionized music production by allowing computers and instruments to communicate efficiently. MIDI files encode musical instructions compactly, facilitating convenient music sharing. They benefit Music Information Retrieval (MIR), aiding in research on music understanding, computational musicology, and generative music. The GigaMIDI dataset contains over 1.4 million unique MIDI files, encompassing 1.8 billion MIDI note events and over 5.3 million MIDI tracks. GigaMIDI is currently the largest collection of symbolic music in MIDI format available for research purposes under fair dealing. Distinguishing between non-expressive and expressive MIDI tracks is challenging, as MIDI files do not inherently make this distinction. To address this issue, we introduce a set of innovative heuristics for detecting expressive music performance. These include the Distinctive Note Velocity Ratio (DNVR) heuristic, which analyzes MIDI note velocity; the Distinctive Note Onset Deviation Ratio (DNODR) heuristic, which examines deviations in note onset times; and the Note Onset Median Metric Level (NOMML) heuristic, which evaluates onset positions relative to metric levels. Our evaluation demonstrates these heuristics effectively differentiate between non-expressive and expressive MIDI tracks. Furthermore, after evaluation, we create the most substantial expressive MIDI dataset, employing our heuristic, NOMML. This curated iteration of GigaMIDI encompasses expressively-performed instrument tracks detected by NOMML, containing all General MIDI instruments, constituting 31% of the GigaMIDI dataset, totalling 1,655,649 tracks.
comment: Published at Transactions of the International Society for Music Information Retrieval (TISMIR), 8(1), 1-19
☆ Data Voids and Warning Banners on Google Search
The content moderation systems used by social media sites are a topic of widespread interest and research, but less is known about the use of similar systems by web search engines. For example, Google Search attempts to help its users navigate three distinct types of data voids--when the available search results are deemed low-quality, low-relevance, or rapidly-changing--by placing one of three corresponding warning banners at the top of the search page. Here we collected 1.4M unique search queries shared on social media to surface Google's warning banners, examine when and why those banners were applied, and train deep learning models to identify data voids beyond Google's classifications. Across three data collection waves (Oct 2023, Mar 2024, Sept 2024), we found that Google returned a warning banner for about 1% of our search queries, with substantial churn in the set of queries that received a banner across waves. The low-quality banners, which warn users that their results "may not have reliable information on this topic," were especially rare, and their presence was associated with low-quality domains in the search results and conspiracy-related keywords in the search query. Low-quality banner presence was also inconsistent over short time spans, even when returning highly similar search results. In August 2024, low-quality banners stopped appearing on the SERPs we collected, but average search result quality remained largely unchanged, suggesting they may have been discontinued by Google. Using our deep learning models to analyze both queries and search results in context, we identify 29 to 58 times more low-quality data voids than there were low-quality banners, and find a similar number after the banners had disappeared. Our findings point to the need for greater transparency on search engines' content moderation practices, especially around important events like elections.
☆ Evaluating the Effectiveness of Large Language Models in Automated News Article Summarization
The automation of news analysis and summarization presents a promising solution to the challenge of processing and analyzing vast amounts of information prevalent in today's information society. Large Language Models (LLMs) have demonstrated the capability to transform vast amounts of textual data into concise and easily comprehensible summaries, offering an effective solution to the problem of information overload and providing users with a quick overview of relevant information. A particularly significant application of this technology lies in supply chain risk analysis. Companies must monitor the news about their suppliers and respond to incidents for several critical reasons, including compliance with laws and regulations, risk management, and maintaining supply chain resilience. This paper develops an automated news summarization system for supply chain risk analysis using LLMs. The proposed solution aggregates news from various sources, summarizes them using LLMs, and presents the condensed information to users in a clear and concise format. This approach enables companies to optimize their information processing and make informed decisions. Our study addresses two main research questions: (1) Are LLMs effective in automating news summarization, particularly in the context of supply chain risk analysis? (2) How effective are various LLMs in terms of readability, duplicate detection, and risk identification in their summarization quality? In this paper, we conducted an offline study using a range of publicly available LLMs at the time and complemented it with a user study focused on the top performing systems of the offline experiments to evaluate their effectiveness further. Our results demonstrate that LLMs, particularly Few-Shot GPT-4o mini, offer significant improvements in summary quality and risk identification.
☆ FilterLLM: Text-To-Distribution LLM for Billion-Scale Cold-Start Recommendation
Large Language Model (LLM)-based cold-start recommendation systems continue to face significant computational challenges in billion-scale scenarios, as they follow a "Text-to-Judgment" paradigm. This approach processes user-item content pairs as input and evaluates each pair iteratively. To maintain efficiency, existing methods rely on pre-filtering a small candidate pool of user-item pairs. However, this severely limits the inferential capabilities of LLMs by reducing their scope to only a few hundred pre-filtered candidates. To overcome this limitation, we propose a novel "Text-to-Distribution" paradigm, which predicts an item's interaction probability distribution for the entire user set in a single inference. Specifically, we present FilterLLM, a framework that extends the next-word prediction capabilities of LLMs to billion-scale filtering tasks. FilterLLM first introduces a tailored distribution prediction and cold-start framework. Next, FilterLLM incorporates an efficient user-vocabulary structure to train and store the embeddings of billion-scale users. Finally, we detail the training objectives for both distribution prediction and user-vocabulary construction. The proposed framework has been deployed on the Alibaba platform, where it has been serving cold-start recommendations for two months, processing over one billion cold items. Extensive experiments demonstrate that FilterLLM significantly outperforms state-of-the-art methods in cold-start recommendation tasks, achieving over 30 times higher efficiency. Furthermore, an online A/B test validates its effectiveness in billion-scale recommendation systems.
comment: 12 pages
☆ Multimodal Search in Chemical Documents and Reactions SIGIR 2025
We present a multimodal search tool that facilitates retrieval of chemical reactions, molecular structures, and associated text from scientific literature. Queries may combine molecular diagrams, textual descriptions, and reaction data, allowing users to connect different representations of chemical information. To support this, the indexing process includes chemical diagram extraction and parsing, extraction of reaction data from text in tabular form, and cross-modal linking of diagrams and their mentions in text. We describe the system's architecture, key functionalities, and retrieval process, along with expert assessments of the system. This demo highlights the workflow and technical components of the search system.
comment: 4 pages, 2 figures, SIGIR 2025 Demonstration Submission
☆ The Blessing of Reasoning: LLM-Based Contrastive Explanations in Black-Box Recommender Systems
Modern recommender systems use ML models to predict consumer preferences from consumption history. Although these "black-box" models achieve impressive predictive performance, they often suffer from a lack of transparency and explainability. Contrary to the presumed tradeoff between explainability and accuracy, we show that integrating large language models (LLMs) with deep neural networks (DNNs) can improve both. We propose LR-Recsys, which augments DNN-based systems with LLM reasoning capabilities. LR-Recsys introduces a contrastive-explanation generator that produces human-readable positive explanations and negative explanations. These explanations are embedded via a fine-tuned autoencoder and combined with consumer and product features to improve predictions. Beyond offering explainability, we show that LR-Recsys also improves learning efficiency and predictive accuracy, as supported by high-dimensional, multi-environment statistical learning theory. LR-Recsys outperforms state-of-the-art recommender systems by 3-14% on three real-world datasets. Importantly, our analysis reveals that these gains primarily derive from LLMs' reasoning capabilities rather than their external domain knowledge. LR-RecSys presents an effective approach to combine LLMs with traditional DNNs, two of the most widely used ML models today. The explanations generated by LR-Recsys provide actionable insights for consumers, sellers, and platforms, helping to build trust, optimize product offerings, and inform targeting strategies.
♻ ☆ Improving Sequential Recommendations via Bidirectional Temporal Data Augmentation with Pre-training
Sequential recommendation systems are integral to discerning temporal user preferences. Yet, the task of learning from abbreviated user interaction sequences poses a notable challenge. Data augmentation has been identified as a potent strategy to enhance the informational richness of these sequences. Traditional augmentation techniques, such as item randomization, may disrupt the inherent temporal dynamics. Although recent advancements in reverse chronological pseudo-item generation have shown promise, they can introduce temporal discrepancies when assessed in a natural chronological context. In response, we introduce a sophisticated approach, Bidirectional temporal data Augmentation with pre-training (BARec). Our approach leverages bidirectional temporal augmentation and knowledge-enhanced fine-tuning to synthesize authentic pseudo-prior items that retain user preferences and capture deeper item semantic correlations, thus boosting the model's expressive power. Our comprehensive experimental analysis on five benchmark datasets confirms the superiority of BARec across both short and elongated sequence contexts. Moreover, theoretical examination and case study offer further insight into the model's logical processes and interpretability. The source code for our study is publicly available at https://github.com/juyongjiang/BARec.
comment: Accepted by TKDE
♻ ☆ CKnowEdit: A New Chinese Knowledge Editing Dataset for Linguistics, Facts, and Logic Error Correction in LLMs
Chinese, as a linguistic system rich in depth and complexity, is characterized by distinctive elements such as ancient poetry, proverbs, idioms, and other cultural constructs. However, current Large Language Models (LLMs) face limitations in these specialized domains, highlighting the need for the development of comprehensive datasets that can assess, continuously update, and progressively improve these culturally-grounded linguistic competencies through targeted training optimizations. To address this gap, we introduce CKnowEdit, the first-ever Chinese knowledge editing dataset designed to correct linguistic, factual, and logical errors in LLMs. We collect seven types of knowledge from a wide range of sources, including classical texts, idioms, and content from Baidu Tieba Ruozhiba, taking into account the unique polyphony, antithesis, and logical structures inherent in the Chinese language. By analyzing this dataset, we highlight the challenges current LLMs face in mastering Chinese. Furthermore, our evaluation of state-of-the-art knowledge editing techniques reveals opportunities to advance the correction of Chinese knowledge. Code and dataset are available at https://github.com/zjunlp/EasyEdit.
comment: Ongoing work; project website is available at https://zjunlp.github.io/project/CKnowEdit code and dataset are available at https://github.com/zjunlp/EasyEdit
♻ ☆ Future Sight and Tough Fights: Revolutionizing Sequential Recommendation with FENRec AAAI 2025
Sequential recommendation (SR) systems predict user preferences by analyzing time-ordered interaction sequences. A common challenge for SR is data sparsity, as users typically interact with only a limited number of items. While contrastive learning has been employed in previous approaches to address the challenges, these methods often adopt binary labels, missing finer patterns and overlooking detailed information in subsequent behaviors of users. Additionally, they rely on random sampling to select negatives in contrastive learning, which may not yield sufficiently hard negatives during later training stages. In this paper, we propose Future data utilization with Enduring Negatives for contrastive learning in sequential Recommendation (FENRec). Our approach aims to leverage future data with time-dependent soft labels and generate enduring hard negatives from existing data, thereby enhancing the effectiveness in tackling data sparsity. Experiment results demonstrate our state-of-the-art performance across four benchmark datasets, with an average improvement of 6.16\% across all metrics.
comment: Accepted by AAAI 2025, Our code is available at https://github.com/uikdwnd/FENRec
♻ ☆ RAPTOR: Refined Approach for Product Table Object Recognition WACV
Extracting tables from documents is a critical task across various industries, especially on business documents like invoices and reports. Existing systems based on DEtection TRansformer (DETR) such as TAble TRansformer (TATR), offer solutions for Table Detection (TD) and Table Structure Recognition (TSR) but face challenges with diverse table formats and common errors like incorrect area detection and overlapping columns. This research introduces RAPTOR, a modular post-processing system designed to enhance state-of-the-art models for improved table extraction, particularly for product tables. RAPTOR addresses recurrent TD and TSR issues, improving both precision and structural predictions. For TD, we use DETR (trained on ICDAR 2019) and TATR (trained on PubTables-1M and FinTabNet), while TSR only relies on TATR. A Genetic Algorithm is incorporated to optimize RAPTOR's module parameters, using a private dataset of product tables to align with industrial needs. We evaluate our method on two private datasets of product tables, the public DOCILE dataset (which contains tables similar to our target product tables), and the ICDAR 2013 and ICDAR 2019 datasets. The results demonstrate that while our approach excels at product tables, it also maintains reasonable performance across diverse table formats. An ablation study further validates the contribution of each module in our system.
comment: Accepted for WACVW 2025 (VisionDocs)
♻ ☆ Empowering recommender systems using automatically generated Knowledge Graphs and Reinforcement Learning
Personalized recommender systems play a crucial role in direct marketing, particularly in financial services, where delivering relevant content can enhance customer engagement and promote informed decision-making. This study explores interpretable knowledge graph (KG)-based recommender systems by proposing two distinct approaches for personalized article recommendations within a multinational financial services firm. The first approach leverages Reinforcement Learning (RL) to traverse a KG constructed from both structured (tabular) and unstructured (textual) data, enabling interpretability through Path Directed Reasoning (PDR). The second approach employs the XGBoost algorithm, with post-hoc explainability techniques such as SHAP and ELI5 to enhance transparency. By integrating machine learning with automatically generated KGs, our methods not only improve recommendation accuracy but also provide interpretable insights, facilitating more informed decision-making in customer relationship management.
♻ ☆ SHE-Net: Syntax-Hierarchy-Enhanced Text-Video Retrieval
The user base of short video apps has experienced unprecedented growth in recent years, resulting in a significant demand for video content analysis. In particular, text-video retrieval, which aims to find the top matching videos given text descriptions from a vast video corpus, is an essential function, the primary challenge of which is to bridge the modality gap. Nevertheless, most existing approaches treat texts merely as discrete tokens and neglect their syntax structures. Moreover, the abundant spatial and temporal clues in videos are often underutilized due to the lack of interaction with text. To address these issues, we argue that using texts as guidance to focus on relevant temporal frames and spatial regions within videos is beneficial. In this paper, we propose a novel Syntax-Hierarchy-Enhanced text-video retrieval method (SHE-Net) that exploits the inherent semantic and syntax hierarchy of texts to bridge the modality gap from two perspectives. First, to facilitate a more fine-grained integration of visual content, we employ the text syntax hierarchy, which reveals the grammatical structure of text descriptions, to guide the visual representations. Second, to further enhance the multi-modal interaction and alignment, we also utilize the syntax hierarchy to guide the similarity calculation. We evaluated our method on four public text-video retrieval datasets of MSR-VTT, MSVD, DiDeMo, and ActivityNet. The experimental results and ablation studies confirm the advantages of our proposed method.
♻ ☆ FlashRAG: A Modular Toolkit for Efficient Retrieval-Augmented Generation Research WWW2025
With the advent of large language models (LLMs) and multimodal large language models (MLLMs), the potential of retrieval-augmented generation (RAG) has attracted considerable research attention. Various novel algorithms and models have been introduced to enhance different aspects of RAG systems. However, the absence of a standardized framework for implementation, coupled with the inherently complex RAG process, makes it challenging and time-consuming for researchers to compare and evaluate these approaches in a consistent environment. Existing RAG toolkits, such as LangChain and LlamaIndex, while available, are often heavy and inflexibly, failing to meet the customization needs of researchers. In response to this challenge, we develop \ours{}, an efficient and modular open-source toolkit designed to assist researchers in reproducing and comparing existing RAG methods and developing their own algorithms within a unified framework. Our toolkit has implemented 16 advanced RAG methods and gathered and organized 38 benchmark datasets. It has various features, including a customizable modular framework, multimodal RAG capabilities, a rich collection of pre-implemented RAG works, comprehensive datasets, efficient auxiliary pre-processing scripts, and extensive and standard evaluation metrics. Our toolkit and resources are available at https://github.com/RUC-NLPIR/FlashRAG.
comment: The paper is accepted by WWW2025 Resource Track
Information Retrieval 13
☆ Design and Implementation of a Scalable Clinical Data Warehouse for Resource-Constrained Healthcare Systems
Centralized electronic health record repositories are critical for advancing disease surveillance, public health research, and evidence-based policymaking. However, developing countries face persistent challenges in achieving this due to fragmented healthcare data sources, inconsistent record-keeping practices, and the absence of standardized patient identifiers, limiting reliable record linkage, compromise data interoperability, and limit scalability-obstacles exacerbated by infrastructural constraints and privacy concerns. To address these barriers, this study proposes a scalable, privacy-preserving clinical data warehouse, NCDW, designed for heterogeneous EHR integration in resource-limited settings and tested with 1.16 million clinical records. The framework incorporates a wrapper-based data acquisition layer for secure, automated ingestion of multisource health data and introduces a soundex algorithm to resolve patient identity mismatches in the absence of unique IDs. A modular data mart is designed for disease-specific analytics, demonstrated through a dengue fever case study in Bangladesh, integrating clinical, demographic, and environmental data for outbreak prediction and resource planning. Quantitative assessment of the data mart underscores its utility in strengthening national decision-support systems, highlighting the model's adaptability for infectious disease management. Comparative evaluation of database technologies reveals NoSQL outperforms relational SQL by 40-69% in complex query processing, while system load estimates validate the architecture's capacity to manage 19 million daily records (34TB over 5 years). The framework can be adapted to various healthcare settings across developing nations by modifying the ingestion layer to accommodate standards like ICD-11 and HL7 FHIR, facilitating interoperability for managing infectious diseases (i.e., COVID, tuberculosis).
☆ Few-shot Continual Relation Extraction via Open Information Extraction
Typically, Few-shot Continual Relation Extraction (FCRE) models must balance retaining prior knowledge while adapting to new tasks with extremely limited data. However, real-world scenarios may also involve unseen or undetermined relations that existing methods still struggle to handle. To address these challenges, we propose a novel approach that leverages the Open Information Extraction concept of Knowledge Graph Construction (KGC). Our method not only exposes models to all possible pairs of relations, including determined and undetermined labels not available in the training set, but also enriches model knowledge with diverse relation descriptions, thereby enhancing knowledge retention and adaptability in this challenging scenario. In the perspective of KGC, this is the first work explored in the setting of Continual Learning, allowing efficient expansion of the graph as the data evolves. Experimental results demonstrate our superior performance compared to other state-of-the-art FCRE baselines, as well as the efficiency in handling dynamic graph construction in this setting.
☆ Retrieval-Augmented Visual Question Answering via Built-in Autoregressive Search Engines AAAI-25
Retrieval-augmented generation (RAG) has emerged to address the knowledge-intensive visual question answering (VQA) task. Current methods mainly employ separate retrieval and generation modules to acquire external knowledge and generate answers, respectively. We propose ReAuSE, an alternative to the previous RAG model for the knowledge-based VQA task, which seamlessly integrates knowledge retriever into the generative multi-modal large language model, serving as a built-in search engine. Specifically, our model functions both as a generative retriever and an accurate answer generator. It not only helps retrieve documents from the knowledge base by producing identifiers for each document, but it also answers visual questions based on the retrieved documents. Furthermore, we propose a reinforced retrieval calibration module from relevance feedback to improve retrieval performance and align with the preferences for accurate answer generation. Extensive experiments on two representative OKVQA and A-OKVQA datasets demonstrate significant improvements ranging from 2.9\% to 9.6\% across all evaluation metrics when compared to strong baselines.
comment: AAAI-25
☆ Advanced Chain-of-Thought Reasoning for Parameter Extraction from Documents Using Large Language Models
Extracting parameters from technical documentation is crucial for ensuring design precision and simulation reliability in electronic design. However, current methods struggle to handle high-dimensional design data and meet the demands of real-time processing. In electronic design automation (EDA), engineers often manually search through extensive documents to retrieve component parameters required for constructing PySpice models, a process that is both labor-intensive and time-consuming. To address this challenge, we propose an innovative framework that leverages large language models (LLMs) to automate the extraction of parameters and the generation of PySpice models directly from datasheets. Our framework introduces three Chain-of-Thought (CoT) based techniques: (1) Targeted Document Retrieval (TDR), which enables the rapid identification of relevant technical sections; (2) Iterative Retrieval Optimization (IRO), which refines the parameter search through iterative improvements; and (3) Preference Optimization (PO), which dynamically prioritizes key document sections based on relevance. Experimental results show that applying all three methods together improves retrieval precision by 47.69% and reduces processing latency by 37.84%. Furthermore, effect size analysis using Cohen's d reveals that PO significantly reduces latency, while IRO contributes most to precision enhancement. These findings underscore the potential of our framework to streamline EDA processes, enhance design accuracy, and shorten development timelines. Additionally, our algorithm has model-agnostic generalization, meaning it can improve parameter search performance across different LLMs.
comment: 9 pages, 9 figures
☆ Unified Semantic and ID Representation Learning for Deep Recommenders
Effective recommendation is crucial for large-scale online platforms. Traditional recommendation systems primarily rely on ID tokens to uniquely identify items, which can effectively capture specific item relationships but suffer from issues such as redundancy and poor performance in cold-start scenarios. Recent approaches have explored using semantic tokens as an alternative, yet they face challenges, including item duplication and inconsistent performance gains, leaving the potential advantages of semantic tokens inadequately examined. To address these limitations, we propose a Unified Semantic and ID Representation Learning framework that leverages the complementary strengths of both token types. In our framework, ID tokens capture unique item attributes, while semantic tokens represent shared, transferable characteristics. Additionally, we analyze the role of cosine similarity and Euclidean distance in embedding search, revealing that cosine similarity is more effective in decoupling accumulated embeddings, while Euclidean distance excels in distinguishing unique items. Our framework integrates cosine similarity in earlier layers and Euclidean distance in the final layer to optimize representation learning. Experiments on three benchmark datasets show that our method significantly outperforms state-of-the-art baselines, with improvements ranging from 6\% to 17\% and a reduction in token size by over 80%. These results demonstrate the effectiveness of combining ID and semantic tokenization to enhance the generalization ability of recommender systems.
☆ Ensemble ToT of LLMs and Its Application to Automatic Grading System for Supporting Self-Learning
Providing students with detailed and timely grading feedback is essential for self-learning. While existing LLM-based grading systems are promising, most of them rely on one single model, which limits their performance. To address this, we propose Ensemble Tree-of-Thought (ToT), a framework that enhances LLM outputs by integrating multiple models. Using this framework, we develop a grading system. Ensemble ToT follows three steps: (1) analyzing LLM performance, (2) generating candidate answers, and (3) refining them into a final result. Based on this, our grading system first evaluates the grading tendencies of LLMs, then generates multiple results, and finally integrates them via a simulated debate. Experimental results demonstrate our approach's ability to provide accurate and explainable grading by effectively coordinating multiple LLMs.
comment: 33 pages, 25 figures
♻ ☆ Interpret and Control Dense Retrieval with Sparse Latent Features
Dense embeddings deliver strong retrieval performance but often lack interpretability and controllability. This paper introduces a novel approach using sparse autoencoders (SAE) to interpret and control dense embeddings via the learned latent sparse features. Our key contribution is the development of a retrieval-oriented contrastive loss, which ensures the sparse latent features remain effective for retrieval tasks and thus meaningful to interpret. Experimental results demonstrate that both the learned latent sparse features and their reconstructed embeddings retain nearly the same retrieval accuracy as the original dense vectors, affirming their faithfulness. Our further examination of the sparse latent space reveals interesting features underlying the dense embeddings and we can control the retrieval behaviors via manipulating the latent sparse features, for example, prioritizing documents from specific perspectives in the retrieval results.
♻ ☆ SWaT: Statistical Modeling of Video Watch Time through User Behavior Analysis KDD
The significance of estimating video watch time has been highlighted by the rising importance of (short) video recommendation, which has become a core product of mainstream social media platforms. Modeling video watch time, however, has been challenged by the complexity of user-video interaction, such as different user behavior modes in watching the recommended videos and varying watching probability over the video progress bar. Despite the importance and challenges, existing literature on modeling video watch time mostly focuses on relatively black-box mechanical enhancement of the classical regression/classification losses, without factoring in user behavior in a principled manner. In this paper, we for the first time take on a user-centric perspective to model video watch time, from which we propose a white-box statistical framework that directly translates various user behavior assumptions in watching (short) videos into statistical watch time models. These behavior assumptions are portrayed by our domain knowledge on users' behavior modes in video watching. We further employ bucketization to cope with user's non-stationary watching probability over the video progress bar, which additionally helps to respect the constraint of video length and facilitate the practical compatibility between the continuous regression event of watch time and other binary classification events. We test our models extensively on two public datasets, a large-scale offline industrial dataset, and an online A/B test on a short video platform with hundreds of millions of daily-active users. On all experiments, our models perform competitively against strong relevant baselines, demonstrating the efficacy of our user-centric perspective and proposed framework.
comment: Proceedings of the 31st ACM SIGKDD Conference on Knowledge Discovery and Data Mining V.1 (KDD '25),
♻ ☆ MIM: Multi-modal Content Interest Modeling Paradigm for User Behavior Modeling
Click-Through Rate (CTR) prediction is a crucial task in recommendation systems, online searches, and advertising platforms, where accurately capturing users' real interests in content is essential for performance. However, existing methods heavily rely on ID embeddings, which fail to reflect users' true preferences for content such as images and titles. This limitation becomes particularly evident in cold-start and long-tail scenarios, where traditional approaches struggle to deliver effective results. To address these challenges, we propose a novel Multi-modal Content Interest Modeling paradigm (MIM), which consists of three key stages: Pre-training, Content-Interest-Aware Supervised Fine-Tuning (C-SFT), and Content-Interest-Aware UBM (CiUBM). The pre-training stage adapts foundational models to domain-specific data, enabling the extraction of high-quality multi-modal embeddings. The C-SFT stage bridges the semantic gap between content and user interests by leveraging user behavior signals to guide the alignment of embeddings with user preferences. Finally, the CiUBM stage integrates multi-modal embeddings and ID-based collaborative filtering signals into a unified framework. Comprehensive offline experiments and online A/B tests conducted on the Taobao, one of the world's largest e-commerce platforms, demonstrated the effectiveness and efficiency of MIM method. The method has been successfully deployed online, achieving a significant increase of +14.14% in CTR and +4.12% in RPM, showcasing its industrial applicability and substantial impact on platform performance. To promote further research, we have publicly released the code and dataset at https://pan.quark.cn/s/8fc8ec3e74f3.
♻ ☆ SafeRAG: Benchmarking Security in Retrieval-Augmented Generation of Large Language Model
The indexing-retrieval-generation paradigm of retrieval-augmented generation (RAG) has been highly successful in solving knowledge-intensive tasks by integrating external knowledge into large language models (LLMs). However, the incorporation of external and unverified knowledge increases the vulnerability of LLMs because attackers can perform attack tasks by manipulating knowledge. In this paper, we introduce a benchmark named SafeRAG designed to evaluate the RAG security. First, we classify attack tasks into silver noise, inter-context conflict, soft ad, and white Denial-of-Service. Next, we construct RAG security evaluation dataset (i.e., SafeRAG dataset) primarily manually for each task. We then utilize the SafeRAG dataset to simulate various attack scenarios that RAG may encounter. Experiments conducted on 14 representative RAG components demonstrate that RAG exhibits significant vulnerability to all attack tasks and even the most apparent attack task can easily bypass existing retrievers, filters, or advanced LLMs, resulting in the degradation of RAG service quality. Code is available at: https://github.com/IAAR-Shanghai/SafeRAG.
♻ ☆ White Hat Search Engine Optimization using Large Language Models
We present novel white-hat search engine optimization techniques based on genAI and demonstrate their empirical merits.
♻ ☆ Agentic Information Retrieval
Since the 1970s, information retrieval (IR) has long been defined as the process of acquiring relevant information items from a pre-defined corpus to satisfy user information needs. Traditional IR systems, while effective in domains like web search, are constrained by their reliance on static, pre-defined information items. To this end, this paper introduces agentic information retrieval (Agentic IR), a transformative next-generation paradigm for IR driven by large language models (LLMs) and AI agents. The central shift in agentic IR is the evolving definition of ``information'' from static, pre-defined information items to dynamic, context-dependent information states. Information state refers to a particular information context that the user is right in within a dynamic environment, encompassing not only the acquired information items but also real-time user preferences, contextual factors, and decision-making processes. In such a way, traditional information retrieval, focused on acquiring relevant information items based on user queries, can be naturally extended to achieving the target information state given the user instruction, which thereby defines the agentic information retrieval. We systematically discuss agentic IR from various aspects, i.e., task formulation, architecture, evaluation, case studies, as well as challenges and future prospects. We believe that the concept of agentic IR introduced in this paper not only broadens the scope of information retrieval research but also lays the foundation for a more adaptive, interactive, and intelligent next-generation IR paradigm.
comment: 11 pages, perspective paper
♻ ☆ A Comprehensive Review of Recommender Systems: Transitioning from Theory to Practice
Recommender Systems (RS) play an integral role in enhancing user experiences by providing personalized item suggestions. This survey reviews the progress in RS inclusively from 2017 to 2024, effectively connecting theoretical advances with practical applications. We explore the development from traditional RS techniques like content-based and collaborative filtering to advanced methods involving deep learning, graph-based models, reinforcement learning, and large language models. We also discuss specialized systems such as context-aware, review-based, and fairness-aware RS. The primary goal of this survey is to bridge theory with practice. It addresses challenges across various sectors, including e-commerce, healthcare, and finance, emphasizing the need for scalable, real-time, and trustworthy solutions. Through this survey, we promote stronger partnerships between academic research and industry practices. The insights offered by this survey aim to guide industry professionals in optimizing RS deployment and to inspire future research directions, especially in addressing emerging technological and societal trends\footnote. The survey resources are available in the public GitHub repository https://github.com/VectorInstitute/Recommender-Systems-Survey. (Recommender systems, large language models, chatgpt, responsible AI)
comment: we quarterly update of this literature