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📅 2025-10-27 | 💬 36 pages, under review
Scientific Large Language Models (Sci-LLMs) have emerged as a promising frontier for accelerating biological discovery. However, these models face a fundamental challenge when processing raw biomolecular sequences: the tokenization dilemma. Whether treating sequences as a specialized language, risking the loss of functional motif information, or as a separate modality, introducing formidable alignment challenges, current strategies fundamentally limit their reasoning capacity. We challenge this sequence-centric paradigm by positing that a more effective strategy is to provide Sci-LLMs with high-level structured context derived from established bioinformatics tools, thereby bypassing the need to interpret low-level noisy sequence data directly. Through a systematic comparison of leading Sci-LLMs on biological reasoning tasks, we tested three input modes: sequence-only, context-only, and a combination of both. Our findings are striking: the context-only approach consistently and substantially outperforms all other modes. Even more revealing, the inclusion of the raw sequence alongside its high-level context consistently degrades performance, indicating that raw sequences act as informational noise, even for models with specialized tokenization schemes. These results suggest that the primary strength of existing Sci-LLMs lies not in their nascent ability to interpret biomolecular syntax from scratch, but in their profound capacity for reasoning over structured, human-readable knowledge. Therefore, we argue for reframing Sci-LLMs not as sequence decoders, but as powerful reasoning engines over expert knowledge. This work lays the foundation for a new class of hybrid scientific AI agents, repositioning the developmental focus from direct sequence interpretation towards high-level knowledge synthesis. The code is available at github.com/opendatalab-raise-dev/CoKE.
📅 2025-10-27 | 💬 Preprint, under submission
Directed greybox fuzzing (DGF) aims to efficiently trigger bugs at specific target locations by prioritizing seeds whose execution paths are more likely to mutate into triggering target bugs. However, existing DGF approaches suffer from imprecise probability calculations due to their reliance on complex distance metrics derived from static analysis. The over-approximations inherent in static analysis cause a large number of irrelevant execution paths to be mistakenly considered to potentially mutate into triggering target bugs, significantly reducing fuzzing efficiency. We propose to replace static analysis-based distance metrics with precise call stack representations. Call stacks represent precise control flows, thereby avoiding false information in static analysis. We leverage large language models (LLMs) to predict vulnerability-triggering call stacks for guiding seed prioritization. Our approach constructs call graphs through static analysis to identify methods that can potentially reach target locations, then utilizes LLMs to predict the most likely call stack sequence that triggers the vulnerability. Seeds whose execution paths have higher overlap with the predicted call stack are prioritized for mutation. This is the first work to integrate LLMs into the core seed prioritization mechanism of DGF. We implement our approach and evaluate it against several state-of-the-art fuzzers. On a suite of real-world programs, our approach triggers vulnerabilities $1.86\times$ to $3.09\times$ faster compared to baselines. In addition, our approach identifies 10 new vulnerabilities and 2 incomplete fixes in the latest versions of programs used in our controlled experiments through directed patch testing, with 10 assigned CVE IDs.
📅 2025-10-27
Recent advances in foundation models have highlighted the significant benefits of multi-stage training, with a particular emphasis on the emergence of mid-training as a vital stage that bridges pre-training and post-training. Mid-training is distinguished by its use of intermediate data and computational resources, systematically enhancing specified capabilities such as mathematics, coding, reasoning, and long-context extension, while maintaining foundational competencies. This survey provides a formal definition of mid-training for large language models (LLMs) and investigates optimization frameworks that encompass data curation, training strategies, and model architecture optimization. We analyze mainstream model implementations in the context of objective-driven interventions, illustrating how mid-training serves as a distinct and critical stage in the progressive development of LLM capabilities. By clarifying the unique contributions of mid-training, this survey offers a comprehensive taxonomy and actionable insights, supporting future research and innovation in the advancement of LLMs.
📅 2025-10-27
We propose Fast-MIA (https://github.com/Nikkei/fast-mia), a Python library for efficiently evaluating membership inference attacks (MIA) against Large Language Models (LLMs). MIA against LLMs has emerged as a crucial challenge due to growing concerns over copyright, security, and data privacy, and has attracted increasing research attention. However, the progress of this research is significantly hindered by two main obstacles: (1) the high computational cost of inference in LLMs, and (2) the lack of standardized and maintained implementations of MIA methods, which makes large-scale empirical comparison difficult. To address these challenges, our library provides fast batch inference and includes implementations of representative MIA methods under a unified evaluation framework. This library supports easy implementation of reproducible benchmarks with simple configuration and extensibility. We release Fast-MIA as an open-source (Apache License 2.0) tool to support scalable and transparent research on LLMs.
📅 2025-10-27 | 💬 Accepted by NeurIPS 2025
Recent advances in Large Language Models (LLMs) have propelled intelligent agents from reactive responses to proactive support. While promising, existing proactive agents either rely exclusively on observations from enclosed environments (e.g., desktop UIs) with direct LLM inference or employ rule-based proactive notifications, leading to suboptimal user intent understanding and limited functionality for proactive service. In this paper, we introduce ContextAgent, the first context-aware proactive agent that incorporates extensive sensory contexts surrounding humans to enhance the proactivity of LLM agents. ContextAgent first extracts multi-dimensional contexts from massive sensory perceptions on wearables (e.g., video and audio) to understand user intentions. ContextAgent then leverages the sensory contexts and personas from historical data to predict the necessity for proactive services. When proactive assistance is needed, ContextAgent further automatically calls the necessary tools to assist users unobtrusively. To evaluate this new task, we curate ContextAgentBench, the first benchmark for evaluating context-aware proactive LLM agents, covering 1,000 samples across nine daily scenarios and twenty tools. Experiments on ContextAgentBench show that ContextAgent outperforms baselines by achieving up to 8.5% and 6.0% higher accuracy in proactive predictions and tool calling, respectively. We hope our research can inspire the development of more advanced, human-centric, proactive AI assistants. The code and dataset are publicly available at https://github.com/openaiotlab/ContextAgent.
📅 2025-10-27 | 💬 11 pages, 9 figures, tool link: https://github.com/ellacodee/CheckstylePlus
Good code style improves program readability, maintainability, and collaboration, and is an integral component of software quality. Developers, however, often cut corners when following style rules, leading to the wide adoption of tools such as linters in professional software development projects. Traditional linters like Checkstyle operate using rigid, rule-based mechanisms that effectively detect many surface-level violations. However, in most programming languages, there is a subset of style rules that require a more nuanced understanding of code, and fall outside the scope of such static analysis. In this paper, we propose Checkstyle+, a hybrid approach that augments Checkstyle with large language model (LLM) capabilities, to identify style violations that elude the conventional rule-based analysis. Checkstyle+ is evaluated on a sample of 380 Java code files, drawn from a broader dataset of 30,800 real-world Java programs sourced from accepted Codeforces submissions. The results show that Checkstyle+ achieves superior performance over standard Checkstyle in detecting violations of the semantically nuanced rules.
📅 2025-10-27 | 💬 NeurIPS 2025
Recent advances in generative modeling have shown significant promise in designing novel periodic crystal structures. Existing approaches typically rely on either large language models (LLMs) or equivariant denoising models, each with complementary strengths: LLMs excel at handling discrete atomic types but often struggle with continuous features such as atomic positions and lattice parameters, while denoising models are effective at modeling continuous variables but encounter difficulties in generating accurate atomic compositions. To bridge this gap, we propose CrysLLMGen, a hybrid framework that integrates an LLM with a diffusion model to leverage their complementary strengths for crystal material generation. During sampling, CrysLLMGen first employs a fine-tuned LLM to produce an intermediate representation of atom types, atomic coordinates, and lattice structure. While retaining the predicted atom types, it passes the atomic coordinates and lattice structure to a pre-trained equivariant diffusion model for refinement. Our framework outperforms state-of-the-art generative models across several benchmark tasks and datasets. Specifically, CrysLLMGen not only achieves a balanced performance in terms of structural and compositional validity but also generates more stable and novel materials compared to LLM-based and denoisingbased models Furthermore, CrysLLMGen exhibits strong conditional generation capabilities, effectively producing materials that satisfy user-defined constraints. Code is available at https://github.com/kdmsit/crysllmgen
📅 2025-10-27 | 💬 Work in Progress
Large Language Models (LLMs) are widely used as judges to evaluate response quality, providing a scalable alternative to human evaluation. However, most LLM judges operate solely on intrinsic text-based reasoning, limiting their ability to verify complex constraints or perform accurate computation. Motivated by the success of tool-integrated reasoning (TIR) in numerous tasks, we propose TIR-Judge, an end-to-end RL framework for training LLM judges that integrates a code executor for precise evaluation. TIR-Judge is built on three principles: (i) diverse training across verifiable and non-verifiable domains, (ii) flexible judgment formats (pointwise, pairwise, listwise), and (iii) iterative RL that bootstraps directly from the initial model without distillation. On seven public benchmarks, TIR-Judge surpasses strong reasoning-based judges by up to 6.4% (pointwise) and 7.7% (pairwise), and achieves listwise performance comparable to Claude-Opus-4 despite having only 8B parameters. Remarkably, TIR-Judge-Zero - trained entirely without distilled judge trajectories, matches the performance of distilled variants, demonstrating that tool-augmented judges can self-evolve through iterative reinforcement learning.
📅 2025-10-27
Recent advances in large language models (LLMs) have enabled multi-agent reasoning systems capable of collaborative decision-making. However, in financial analysis, most frameworks remain narrowly focused on either isolated single-agent predictors or loosely connected analyst ensembles, and they lack a coherent reasoning workflow that unifies diverse data modalities. We introduce P1GPT, a layered multi-agent LLM framework for multi-modal financial information analysis and interpretable trading decision support. Unlike prior systems that emulate trading teams through role simulation, P1GPT implements a structured reasoning pipeline that systematically fuses technical, fundamental, and news-based insights through coordinated agent communication and integration-time synthesis. Backtesting on multi-modal datasets across major U.S. equities demonstrates that P1GPT achieves superior cumulative and risk-adjusted returns, maintains low drawdowns, and provides transparent causal rationales. These findings suggest that structured reasoning workflows, rather than agent role imitation, offer a scalable path toward explainable and trustworthy financial AI systems.
📅 2025-10-27 | 💬 17 pages, 7 tables
Answering end user security questions is challenging. While large language models (LLMs) like GPT, LLAMA, and Gemini are far from error-free, they have shown promise in answering a variety of questions outside of security. We studied LLM performance in the area of end user security by qualitatively evaluating 3 popular LLMs on 900 systematically collected end user security questions. While LLMs demonstrate broad generalist ``knowledge'' of end user security information, there are patterns of errors and limitations across LLMs consisting of stale and inaccurate answers, and indirect or unresponsive communication styles, all of which impacts the quality of information received. Based on these patterns, we suggest directions for model improvement and recommend user strategies for interacting with LLMs when seeking assistance with security.
📅 2025-10-26
Neuroscience research publications encompass a vast wealth of knowledge. Accurately retrieving existing information and discovering new insights from this extensive literature is essential for advancing the field. However, when knowledge is dispersed across multiple sources, current state-of-the-art retrieval methods often struggle to extract the necessary information. A knowledge graph (KG) can integrate and link knowledge from multiple sources. However, existing methods for constructing KGs in neuroscience often rely on labeled data and require domain expertise. Acquiring large-scale, labeled data for a specialized area like neuroscience presents significant challenges. This work proposes novel methods for constructing KG from unlabeled large-scale neuroscience research corpus utilizing large language models (LLM), neuroscience ontology, and text embeddings. We analyze the semantic relevance of neuroscience text segments identified by LLM for building the knowledge graph. We also introduce an entity-augmented information retrieval algorithm to extract knowledge from the KG. Several experiments were conducted to evaluate the proposed approaches. The results demonstrate that our methods significantly enhance knowledge discovery from the unlabeled neuroscience research corpus. The performance of the proposed entity and relation extraction method is comparable to the existing supervised method. It achieves an F1 score of 0.84 for entity extraction from the unlabeled data. The knowledge obtained from the KG improves answers to over 52% of neuroscience questions from the PubMedQA dataset and questions generated using selected neuroscience entities.
📅 2025-10-26
Large Language Models (LLMs) have significantly advanced the field of natural language processing, enhancing capabilities in both language understanding and generation across diverse domains. However, developing LLMs for Arabic presents unique challenges. This paper explores these challenges by focusing on critical aspects such as data curation, tokenizer design, and evaluation. We detail our approach to the collection and filtration of Arabic pre-training datasets, assess the impact of various tokenizer designs on model performance, and examine the limitations of existing Arabic evaluation frameworks, for which we propose a systematic corrective methodology. To promote transparency and facilitate collaborative development, we share our data and methodologies, contributing to the advancement of language modeling, particularly for the Arabic language.
📅 2025-10-26 | 💬 11 pages, 5 figures. Preprint version under review in the area of Artificial Intelligence (cs.AI)
This paper presents a real-time modular defense system named Sentra-Guard. The system detects and mitigates jailbreak and prompt injection attacks targeting large language models (LLMs). The framework uses a hybrid architecture with FAISS-indexed SBERT embedding representations that capture the semantic meaning of prompts, combined with fine-tuned transformer classifiers, which are machine learning models specialized for distinguishing between benign and adversarial language inputs. It identifies adversarial prompts in both direct and obfuscated attack vectors. A core innovation is the classifier-retriever fusion module, which dynamically computes context-aware risk scores that estimate how likely a prompt is to be adversarial based on its content and context. The framework ensures multilingual resilience with a language-agnostic preprocessing layer. This component automatically translates non-English prompts into English for semantic evaluation, enabling consistent detection across over 100 languages. The system includes a HITL feedback loop, where decisions made by the automated system are reviewed by human experts for continual learning and rapid adaptation under adversarial pressure. Sentra-Guard maintains an evolving dual-labeled knowledge base of benign and malicious prompts, enhancing detection reliability and reducing false positives. Evaluation results show a 99.96% detection rate (AUC = 1.00, F1 = 1.00) and an attack success rate (ASR) of only 0.004%. This outperforms leading baselines such as LlamaGuard-2 (1.3%) and OpenAI Moderation (3.7%). Unlike black-box approaches, Sentra-Guard is transparent, fine-tunable, and compatible with diverse LLM backends. Its modular design supports scalable deployment in both commercial and open-source environments. The system establishes a new state-of-the-art in adversarial LLM defense.
📅 2025-10-26 | 💬 Julia Bazinska and Max Mathys contributed equally
AI agents powered by large language models (LLMs) are being deployed at scale, yet we lack a systematic understanding of how the choice of backbone LLM affects agent security. The non-deterministic sequential nature of AI agents complicates security modeling, while the integration of traditional software with AI components entangles novel LLM vulnerabilities with conventional security risks. Existing frameworks only partially address these challenges as they either capture specific vulnerabilities only or require modeling of complete agents. To address these limitations, we introduce threat snapshots: a framework that isolates specific states in an agent's execution flow where LLM vulnerabilities manifest, enabling the systematic identification and categorization of security risks that propagate from the LLM to the agent level. We apply this framework to construct the $\operatorname{b}^3$ benchmark, a security benchmark based on 194331 unique crowdsourced adversarial attacks. We then evaluate 31 popular LLMs with it, revealing, among other insights, that enhanced reasoning capabilities improve security, while model size does not correlate with security. We release our benchmark, dataset, and evaluation code to facilitate widespread adoption by LLM providers and practitioners, offering guidance for agent developers and incentivizing model developers to prioritize backbone security improvements.
📅 2025-10-26 | 💬 The code is available at https://github.com/umbertocappellazzo/Llama-AVSR
Large language models (LLMs) have recently advanced auditory speech recognition (ASR), visual speech recognition (VSR), and audio-visual speech recognition (AVSR). However, understanding of their internal dynamics under fine-tuning remains limited. In natural language processing, recent work has revealed attention sinks, tokens that attract disproportionately high attention, and associated massive activations in which some features of sink tokens exhibit huge activation in LLMs. In this work, we are the first to study these phenomena in multimodal speech recognition. Through a detailed analysis of audio-visual LLMs, we identify attention sinks and massive activations not only at the BOS token but also at intermediate low-semantic tokens across ASR, VSR, and AVSR. We show that massive activations originate in the MLP layers and correspond to fixed feature indices across all sink tokens. We further show that intermediate sink tokens exhibit high cosine similarity to the BOS token, thereby amplifying attention and activation. Building on these insights, we introduce a simple decorrelation loss that reduces cosine similarity between BOS and other tokens, effectively mitigating intermediate sinks and massive activations. Furthermore, our method improves word error rate (WER) under high audio-visual feature downsampling while remaining stable at lower downsampling rates.
📅 2025-10-26
We present AutoBench, a fully automated and self-sustaining framework for evaluating Large Language Models (LLMs) through reciprocal peer assessment. This paper provides a rigorous scientific validation of the AutoBench methodology, originally developed as an open-source project by eZecute S.R.L.. Unlike static benchmarks that suffer from test-set contamination and limited adaptability, AutoBench dynamically generates novel evaluation tasks while models alternately serve as question generators, contestants, and judges across diverse domains. An iterative weighting mechanism amplifies the influence of consistently reliable evaluators, aggregating peer judgments into consensus-based rankings that reflect collective model agreement. Our experiments demonstrate strong correlations with established benchmarks including MMLU-Pro and GPQA (respectively 78\% and 63\%), validating this peer-driven evaluation paradigm. The multi-judge design significantly outperforms single-judge baselines, confirming that distributed evaluation produces more robust and human-consistent assessments. AutoBench offers a scalable, contamination-resistant alternative to static benchmarks for the continuous evaluation of evolving language models.
📅 2025-10-26
Large Language Models (LLMs) can reason over natural-language inputs, but their role in intrusion detection without fine-tuning remains uncertain. This study evaluates a prompt-only approach on UNSW-NB15 by converting each network flow to a compact textual record and augmenting it with lightweight, domain-inspired boolean flags (asymmetry, burst rate, TTL irregularities, timer anomalies, rare service/state, short bursts). To reduce output drift and support measurement, the model is constrained to produce structured, grammar-valid responses, and a single decision threshold is calibrated on a small development split. We compare zero-shot, instruction-guided, and few-shot prompting to strong tabular and neural baselines under identical splits, reporting accuracy, precision, recall, F1, and macro scores. Empirically, unguided prompting is unreliable, while instructions plus flags substantially improve detection quality; adding calibrated scoring further stabilizes results. On a balanced subset of two hundred flows, a 7B instruction-tuned model with flags reaches macro-F1 near 0.78; a lighter 3B model with few-shot cues and calibration attains F1 near 0.68 on one thousand examples. As the evaluation set grows to two thousand flows, decision quality decreases, revealing sensitivity to coverage and prompting. Tabular baselines remain more stable and faster, yet the prompt-only pipeline requires no gradient training, produces readable artifacts, and adapts easily through instructions and flags. Contributions include a flow-to-text protocol with interpretable cues, a calibration method for thresholding, a systematic baseline comparison, and a reproducibility bundle with prompts, grammar, metrics, and figures.
📅 2025-10-26
The remarkable capabilities of Large Language Models (LLMs) in natural language understanding and generation have sparked interest in their potential for cybersecurity applications, including password guessing. In this study, we conduct an empirical investigation into the efficacy of pre-trained LLMs for password cracking using synthetic user profiles. Specifically, we evaluate the performance of state-of-the-art open-source LLMs such as TinyLLaMA, Falcon-RW-1B, and Flan-T5 by prompting them to generate plausible passwords based on structured user attributes (e.g., name, birthdate, hobbies). Our results, measured using Hit@1, Hit@5, and Hit@10 metrics under both plaintext and SHA-256 hash comparisons, reveal consistently poor performance, with all models achieving less than 1.5% accuracy at Hit@10. In contrast, traditional rule-based and combinator-based cracking methods demonstrate significantly higher success rates. Through detailed analysis and visualization, we identify key limitations in the generative reasoning of LLMs when applied to the domain-specific task of password guessing. Our findings suggest that, despite their linguistic prowess, current LLMs lack the domain adaptation and memorization capabilities required for effective password inference, especially in the absence of supervised fine-tuning on leaked password datasets. This study provides critical insights into the limitations of LLMs in adversarial contexts and lays the groundwork for future efforts in secure, privacy-preserving, and robust password modeling.
📅 2025-10-26 | 💬 8 pages, 6 figures
As information technology advances, education is moving from one-size-fits-all instruction toward personalized learning. However, most methods handle modeling, item selection, and feedback in isolation rather than as a closed loop. This leads to coarse or opaque student models, assumption-bound adaptivity that ignores diagnostic posteriors, and generic, non-actionable feedback. To address these limitations, this paper presents an end-to-end personalized learning agent, EduLoop-Agent, which integrates a Neural Cognitive Diagnosis model (NCD), a Bounded-Ability Estimation Computerized Adaptive Testing strategy (BECAT), and large language models (LLMs). The NCD module provides fine-grained estimates of students' mastery at the knowledge-point level; BECAT dynamically selects subsequent items to maximize relevance and learning efficiency; and LLMs convert diagnostic signals into structured, actionable feedback. Together, these components form a closed-loop framework of ``Diagnosis--Recommendation--Feedback.'' Experiments on the ASSISTments dataset show that the NCD module achieves strong performance on response prediction while yielding interpretable mastery assessments. The adaptive recommendation strategy improves item relevance and personalization, and the LLM-based feedback offers targeted study guidance aligned with identified weaknesses. Overall, the results indicate that the proposed design is effective and practically deployable, providing a feasible pathway to generating individualized learning trajectories in intelligent education.
📅 2025-10-26 | 💬 31 Pages
Evaluating the scientific discovery capabilities of large language model based agents, particularly how they cope with varying environmental complexity and utilize prior knowledge, requires specialized benchmarks currently lacking in the landscape. To address this gap, we introduce \textsc{PhysGym}, a novel benchmark suite and simulation platform for rigorously assessing LLM-based scientific reasoning in interactive physics environments. \textsc{PhysGym}'s primary contribution lies in its sophisticated control over the level of prior knowledge provided to the agent. This allows researchers to dissect agent performance along axes including the complexity of the problem and the prior knowledge levels. The benchmark comprises a suite of interactive simulations, where agents must actively probe environments, gather data sequentially under constraints and formulate hypotheses about underlying physical laws. \textsc{PhysGym} provides standardized evaluation protocols and metrics for assessing hypothesis accuracy and model fidelity. We demonstrate the benchmark's utility by presenting results from baseline LLMs, showcasing its ability to differentiate capabilities based on varying priors and task complexity.
📅 2025-10-26
Watermarking has emerged as a crucial method to distinguish AI-generated text from human-created text. Current watermarking approaches often lack formal optimality guarantees or address the scheme and detector design separately. In this paper, we introduce a novel, unified theoretical framework for watermarking Large Language Models (LLMs) that jointly optimizes both the watermarking scheme and detector. Our approach aims to maximize detection performance while maintaining control over the worst-case false positive rate (FPR) and distortion on text quality. We derive closed-form optimal solutions for this joint design and characterize the fundamental trade-off between watermark detectability and distortion. Notably, we reveal that the optimal watermarking schemes should be adaptive to the LLM's generative distribution. Building on our theoretical insights, we propose a distortion-free, distribution-adaptive watermarking algorithm (DAWA) that leverages a surrogate model for model-agnosticism and efficiency. Experiments on Llama2-13B and Mistral-8$\times$7B models confirm the effectiveness of our approach, particularly at ultra-low FPRs. Our code is available at https://github.com/yepengliu/DAWA.
📅 2025-10-26 | 💬 NeurIPS 2025 Datasets and Benchmarks Track
Large language models (LLMs) are equipped with increasingly extended context windows recently, yet their long context understanding capabilities over long dependency tasks remain fundamentally limited and underexplored. This gap is especially significant in many real-world long-context applications that were rarely benchmarked. In this paper, we introduce LooGLE v2, a novel benchmark designed to evaluate LLMs' long context ability in real-world applications and scenarios. Our benchmark consists of automatically collected real-world long texts, ranging from 16k to 2M tokens, encompassing domains in law, finance, game and code. Accordingly, we delicately design 10 types of domain-specific long-dependency tasks and generate 1,934 QA instances with various diversity and complexity in a scalable data curation pipeline for further practical needs. We conduct a comprehensive assessment of 6 locally deployed and 4 API-based LLMs. The evaluation results show that even the best-performing model achieves only a 59.2% overall score on our benchmark. Despite the extensive context windows, popular LLMs are only capable of understanding a much shorter length of context than they claim to be, revealing significant limitations in their ability to handle real-world tasks with long dependencies and highlighting substantial room for model improvement in practical long-context understanding.
📅 2025-10-26
Materials discovery requires navigating vast chemical and structural spaces while satisfying multiple, often conflicting, objectives. We present LLM-guided Evolution for MAterials design (LLEMA), a unified framework that couples the scientific knowledge embedded in large language models with chemistry-informed evolutionary rules and memory-based refinement. At each iteration, an LLM proposes crystallographically specified candidates under explicit property constraints; a surrogate-augmented oracle estimates physicochemical properties; and a multi-objective scorer updates success/failure memories to guide subsequent generations. Evaluated on 14 realistic tasks spanning electronics, energy, coatings, optics, and aerospace, LLEMA discovers candidates that are chemically plausible, thermodynamically stable, and property-aligned, achieving higher hit-rates and stronger Pareto fronts than generative and LLM-only baselines. Ablation studies confirm the importance of rule-guided generation, memory-based refinement, and surrogate prediction. By enforcing synthesizability and multi-objective trade-offs, LLEMA delivers a principled pathway to accelerate practical materials discovery. Code: https://github.com/scientific-discovery/LLEMA
📅 2025-10-26 | 💬 39th Conference on Neural Information Processing Systems (NeurIPS 2025) Workshop: MTI-LLM @ NeurIPS 2025
Integration of Large Language Models with search/retrieval engines has become ubiquitous, yet these systems harbor a critical vulnerability that undermines their reliability. We present the first systematic investigation of "chameleon behavior" in LLMs: their alarming tendency to shift stances when presented with contradictory questions in multi-turn conversations (especially in search-enabled LLMs). Through our novel Chameleon Benchmark Dataset, comprising 17,770 carefully crafted question-answer pairs across 1,180 multi-turn conversations spanning 12 controversial domains, we expose fundamental flaws in state-of-the-art systems. We introduce two theoretically grounded metrics: the Chameleon Score (0-1) that quantifies stance instability, and Source Re-use Rate (0-1) that measures knowledge diversity. Our rigorous evaluation of Llama-4-Maverick, GPT-4o-mini, and Gemini-2.5-Flash reveals consistent failures: all models exhibit severe chameleon behavior (scores 0.391-0.511), with GPT-4o-mini showing the worst performance. Crucially, small across-temperature variance (less than 0.004) suggests the effect is not a sampling artifact. Our analysis uncovers the mechanism: strong correlations between source re-use rate and confidence (r=0.627) and stance changes (r=0.429) are statistically significant (p less than 0.05), indicating that limited knowledge diversity makes models pathologically deferential to query framing. These findings highlight the need for comprehensive consistency evaluation before deploying LLMs in healthcare, legal, and financial systems where maintaining coherent positions across interactions is critical for reliable decision support.
📅 2025-10-26 | 💬 Presented at the Workshop on Preparing Good Data for Generative AI: Challenges and Approaches (Good-Data) in conjunction with AAAI 2025. The authors retain the copyright
This paper presents an extensive examination of Parameter-Efficient Fine-Tuning (PEFT) for embedding domain specific facts into Large Language Models (LLMs), focusing on improving the fine-tuning process by categorizing question-answer (QA) pairs into Factual and Conceptual classes using a BERT-based classifier. Two distinct Llama-2 models are fine-tuned based on these classifications and evaluated using larger models like GPT-3.5 Turbo and Gemini. Our results indicate that models trained on conceptual datasets outperform those trained on factual datasets. Additionally, we compare the efficiency of two synthetic fine-tuning dataset generation techniques, D-RAG and D-Naive, with D-Naive demonstrating superior performance. Although PEFT has shown effectiveness, our research indicates that it may not be the most optimal method for embedding facts into LLMs. However, it has demonstrated exceptional performance in instruction-based tasks. Our findings are reinforced by a 1000-sample dataset in the data center domain, where the fine-tuned Llama-2 7B model significantly outperforms the baseline model in generating product recommendations. Our study highlights the importance of QA pair categorization and synthetic dataset generation techniques in enhancing the performance of LLMs in specific domains.
📅 2025-10-26
The ability to accurately align LLMs with human population groups on subjective questions would have great value. In this work, we show that use of simple supervision can greatly improve language model alignment with diverse population groups more consistently, as measured over three datasets spanning various topics. Beyond evaluating average alignment, we also report how alignment varies across specific groups. Our broad findings provide insights into the distributional alignment of LLMs with diverse population groups. By conducting evaluation over many LLMs and prompting strategies, along with open-sourcing our work, we provide a benchmark to stimulate future research.
📅 2025-10-26 | 💬 ArXiv v3
Despite enthusiasm for Multi-Agent LLM Systems (MAS), their performance gains on popular benchmarks are often minimal. This gap highlights a critical need for a principled understanding of why MAS fail. Addressing this question requires systematic identification and analysis of failure patterns. We introduce MAST-Data, a comprehensive dataset of 1600+ annotated traces collected across 7 popular MAS frameworks. MAST-Data is the first multi-agent system dataset to outline the failure dynamics in MAS for guiding the development of better future systems. To enable systematic classification of failures for MAST-Data, we build the first Multi-Agent System Failure Taxonomy (MAST). We develop MAST through rigorous analysis of 150 traces, guided closely by expert human annotators and validated by high inter-annotator agreement (kappa = 0.88). This process identifies 14 unique modes, clustered into 3 categories: (i) system design issues, (ii) inter-agent misalignment, and (iii) task verification. To enable scalable annotation, we develop an LLM-as-a-Judge pipeline with high agreement with human annotations. We leverage MAST and MAST-Data to analyze failure patterns across models (GPT4, Claude 3, Qwen2.5, CodeLlama) and tasks (coding, math, general agent), demonstrating improvement headrooms from better MAS design. Our analysis provides insights revealing that identified failures require more sophisticated solutions, highlighting a clear roadmap for future research. We publicly release our comprehensive dataset (MAST-Data), the MAST, and our LLM annotator to facilitate widespread research and development in MAS.
📅 2025-10-26 | 💬 Updated for clarity
The scientific ideation process often involves blending salient aspects of existing papers to create new ideas -- a framework known as facet-based ideation. To see how large language models (LLMs) might assist in this process, we contribute Scideator, the first human-LLM interface for facet-based scientific ideation. Starting from a user-provided set of scientific papers, Scideator extracts key facets -- purposes, mechanisms, and evaluations -- from these and related papers, allowing users to explore the idea space by interactively recombining facets to synthesize inventive ideas. Scideator also helps users gauge idea originality by searching the literature for overlaps, assessing idea novelty based on an explicit facet-based definition. To support these tasks, Scideator introduces three LLM-powered retrieval-augmented generation (RAG) modules: Analogous Paper Facet Finder, Faceted Idea Generator, and Idea Novelty Checker. In a within-subjects user study (N=22) with computer-science researchers comparing Scideator to a strong baseline, our tool provided significantly more creativity support, particularly with respect to exploration and expressiveness.
📅 2025-10-26
Despite their impressive capabilities, Large Language Models (LLMs) exhibit unwanted uncertainty, a phenomenon where a model changes a previously correct answer into an incorrect one when re-prompted. This behavior undermines trust and poses serious risks in high-stakes domains. In this work, we investigate the mechanisms that drive this phenomenon. We adapt the Needle-in-a-Haystack retrieval framework and integrate a Flip-style re-evaluation prompt to simulate realistic answer-flipping scenarios. We find that retrieval heads are not primarily responsible for avoiding uncertainty. Instead, we identify a small set of non-retrieval attention heads that disproportionately attend to misleading tokens in uncertain contexts. Masking these heads yields significant improvements, reducing flip behavior by up to 15% without introducing incoherence or overcorrection. However, when tested for downstream tasks, we observe trade-offs with flip behavior. Our findings contribute to the growing field of mechanistic interpretability and present a simple yet effective technique for mitigating uncertainty-driven failure modes in LLMs.
📅 2025-10-26 | 💬 Accepted to EMNLP 2025 Industry Track - Oral Presentation
Large language models (LLMs) have demonstrated remarkable performance across a wide range of industrial applications, from search and recommendation systems to generative tasks. Although scaling laws indicate that larger models generally yield better generalization and performance, their substantial computational requirements often render them impractical for many real-world scenarios at scale. In this paper, we present a comprehensive set of insights for training and deploying small language models (SLMs) that deliver high performance for a variety of industry use cases. We focus on two key techniques: (1) knowledge distillation and (2) model compression via structured pruning and quantization. These approaches enable SLMs to retain much of the quality of their larger counterparts while significantly reducing training/serving costs and latency. We detail the impact of these techniques on a variety of use cases in a large professional social network platform and share deployment lessons, including hardware optimization strategies that improve speed and throughput for both predictive and reasoning-based applications in Recommendation Systems.
📅 2025-10-26
This paper addresses the prediction of commercial (brand) memorability as part of "Subtask 2: Commercial/Ad Memorability" within the "Memorability: Predicting movie and commercial memorability" task at the MediaEval 2025 workshop competition. We propose a multimodal fusion system with a Gemma-3 LLM backbone that integrates pre-computed visual (ViT) and textual (E5) features by multi-modal projections. The model is adapted using Low-Rank Adaptation (LoRA). A heavily-tuned ensemble of gradient boosted trees serves as a baseline. A key contribution is the use of LLM-generated rationale prompts, grounded in expert-derived aspects of memorability, to guide the fusion model. The results demonstrate that the LLM-based system exhibits greater robustness and generalization performance on the final test set, compared to the baseline. The paper's codebase can be found at https://github.com/dsgt-arc/mediaeval-2025-memorability
📅 2025-10-26 | 💬 This paper has been accepted for the upcoming 59th Hawaii International Conference on System Sciences (HICSS-59), 2026, Hawaii, USA. The final published version will appear in the official conference proceedings
Software architecture design is a fundamental part of creating every software system. Despite its importance, producing a C4 software architecture model, the preferred notation for such architecture, remains manual and time-consuming. We introduce an LLM-based multi-agent system that automates this task by simulating a dialogue between role-specific experts who analyze requirements and generate the Context, Container, and Component views of the C4 model. Quality is assessed with a hybrid evaluation framework: deterministic checks for structural and syntactic integrity and C4 rule consistency, plus semantic and qualitative scoring via an LLM-as-a-Judge approach. Tested on five canonical system briefs, the workflow demonstrates fast C4 model creation, sustains high compilation success, and delivers semantic fidelity. A comparison of four state-of-the-art LLMs shows different strengths relevant to architectural design. This study contributes to automated software architecture design and its evaluation methods.
📅 2025-10-26
Enabling robot teams to execute natural language commands requires translating high-level instructions into feasible, efficient multi-robot plans. While Large Language Models (LLMs) combined with Planning Domain Description Language (PDDL) offer promise for single-robot scenarios, existing approaches struggle with multi-robot coordination due to brittle task decomposition, poor scalability, and low coordination efficiency. We introduce PIP-LLM, a language-based coordination framework that consists of PDDL-based team-level planning and Integer Programming (IP) based robot-level planning. PIP-LLMs first decomposes the command by translating the command into a team-level PDDL problem and solves it to obtain a team-level plan, abstracting away robot assignment. Each team-level action represents a subtask to be finished by the team. Next, this plan is translated into a dependency graph representing the subtasks' dependency structure. Such a dependency graph is then used to guide the robot-level planning, in which each subtask node will be formulated as an IP-based task allocation problem, explicitly optimizing travel costs and workload while respecting robot capabilities and user-defined constraints. This separation of planning from assignment allows PIP-LLM to avoid the pitfalls of syntax-based decomposition and scale to larger teams. Experiments across diverse tasks show that PIP-LLM improves plan success rate, reduces maximum and average travel costs, and achieves better load balancing compared to state-of-the-art baselines.
📅 2025-10-26
In this paper we introduce Tale, Task-Aware Layer Elimination, an inference-time algorithm that prunes entire transformer layers in an LLM by directly optimizing task-specific validation performance. We evaluate TALE on 9 tasks and 5 models, including LLaMA 3.1 8B, Qwen 2.5 7B, Qwen 2.5 0.5B, Mistral 7B, and Lucie 7B, under both zero-shot and few-shot settings. Unlike prior approaches, TALE requires no retraining and consistently improves accuracy while reducing computational cost across all benchmarks. Furthermore, applying TALE during finetuning leads to additional performance gains. Finally, TALE provides flexible user control over trade-offs between accuracy and efficiency. Mutual information analysis shows that certain layers act as bottlenecks, degrading task-relevant representations. Tale's selective layer removal remedies this problem, producing smaller, faster, and more accurate models that are also faster to fine-tune while offering new insights into transformer interpretability.
📅 2025-10-26
Self-Refinement refers to a model's ability to revise its own responses to produce improved outputs. This capability can also serve as a fundamental mechanism for Self-Improvement, for example, by reconstructing datasets with refined results to enhance intrinsic model performance. However, our comprehensive experiments reveal that large language models (LLMs) show no clear evidence of inherent Self-Refinement and may even experience response quality degradation after Self-Refinement. To address this issue, we propose EVOLVE, a simple and effective framework for eliciting and tracking the evolution of Self-Refinement through iterative training. We first explore optimization methods during training to activate the model's Self-Refinement capability. Then, at inference, we investigate various generation strategies to further enhance and utilize Self-Refinement while supplying the necessary data for training. Through synergistic optimization of training and inference stages, we continually evolve the model's Self-Refinement ability, enabling it to better refine its own responses. Moreover, we demonstrate the potential of leveraging Self-Refinement to achieve broader Self-Improvement of intrinsic model abilities. Experiments show that the evolved Self-Refinement ability enables the Llama-3.1-8B base model to surpass GPT-4o, achieving 62.3% length-controlled and 63.3% raw win rates on AlpacaEval 2, and 50.3% on Arena-Hard. It also generalizes effectively to out-of-domain reasoning tasks, improving performance on mathematical reasoning benchmarks such as GSM8K and MATH.
📅 2025-10-26
Qualitative data analysis (QDA) emphasizes trustworthiness, requiring sustained human engagement and reflexivity. Recently, large language models (LLMs) have been applied in QDA to improve efficiency. However, their use raises concerns about unvalidated automation and displaced sensemaking, which can undermine trustworthiness. To address these issues, we employed two strategies: transparency and human involvement. Through a literature review and formative interviews, we identified six design requirements for transparent automation and meaningful human involvement. Guided by these requirements, we developed MindCoder, an LLM-powered workflow that delegates mechanical tasks, such as grouping and validation, to the system, while enabling humans to conduct meaningful interpretation. MindCoder also maintains comprehensive logs of users' step-by-step interactions to ensure transparency and support trustworthy results. In an evaluation with 12 users and two external evaluators, MindCoder supported active interpretation, offered flexible control, and produced more trustworthy codebooks. We further discuss design implications for building human-AI collaborative QDA workflows.
📅 2025-10-26
Multi-task post-training of large language models (LLMs) is typically performed by mixing datasets from different tasks and optimizing them jointly. This approach implicitly assumes that all tasks contribute gradients of similar magnitudes; when this assumption fails, optimization becomes biased toward large-gradient tasks. In this paper, however, we show that this assumption fails in RL post-training: certain tasks produce significantly larger gradients, thus biasing updates toward those tasks. Such gradient imbalance would be justified only if larger gradients implied larger learning gains on the tasks (i.e., larger performance improvements) -- but we find this is not true. Large-gradient tasks can achieve similar or even much lower learning gains than small-gradient ones. Further analyses reveal that these gradient imbalances cannot be explained by typical training statistics such as training rewards or advantages, suggesting that they arise from the inherent differences between tasks. This cautions against naive dataset mixing and calls for future work on principled gradient-level corrections for LLMs.
📅 2025-10-26 | 💬 This is a technical report from Lingnan University, Hong Kong. Code is available at https://github.com/AIS2Lab/MalwareGPT
Malware family classification aims to identify the specific family (e.g., GuLoader or BitRAT) a malware sample may belong to, in contrast to malware detection or sample classification, which only predicts a Yes/No outcome. Accurate family identification can greatly facilitate automated sample labeling and understanding on crowdsourced malware analysis platforms such as VirusTotal and MalwareBazaar, which generate vast amounts of data daily. In this paper, we explore and assess the feasibility of using traditional binary string features for family classification in the new era of large language models (LLMs) and Retrieval-Augmented Generation (RAG). Specifically, we investigate howFamily-Specific String (FSS) features can be utilized in a manner similar to RAG to facilitate family classification. To this end, we develop a curated evaluation framework covering 4,347 samples from 67 malware families, extract and analyze over 25 million strings, and conduct detailed ablation studies to assess the impact of different design choices in four major modules, with each providing a relative improvement ranging from 8.1% to 120%.
📅 2025-10-26 | 💬 24 pages + 5 pages appendices. 7 Figures. 10 Tables
In this paper we evaluate the capabilities of LLM Agents in generating code for real-world problems. Specifically, we explore code synthesis for microservice-based applications, a widely used architectural pattern for building applications. We define a standard template for specifying these applications, and we propose a metric for scoring the difficulty of a specification. The higher the score, the more difficult it is to generate code for the specification. Our experimental results show that agents using strong LLMs (like GPT-3o-mini) do fairly well on medium difficulty specifications but do poorly on those of higher difficulty levels. This is due to more intricate business logic, a greater use of external services, database integration and inclusion of non-functional capabilities such as authentication. We analyzed the errors in LLM-synthesized code and report on the key challenges LLM Agents face in generating code for these specifications. Finally, we show that using a fine-grained approach to code generation improves the correctness of the generated code.
📅 2025-10-26
Despite their impressive generalization capabilities, instruction-tuned Large Language Models often underperform on text classification benchmarks. We introduce SALSA, a coherent pipeline that combines structured prompting, class-to-token mapping, and parameter-efficient fine-tuning, thereby avoiding cold-start training. Each class label is mapped to a distinct output token, and prompts are constructed to elicit a single-token response. During inference, the model's output is projected only onto the logits of the relevant class tokens, enabling efficient and accurate classification in a single forward pass. SALSA achieves state-of-the-art results across diverse benchmarks, demonstrating its robustness and scalability for LLM-based classification applications.
📅 2025-10-26
If-then rules are widely used to explain machine learning models; e.g., "if employed = no, then loan application = rejected." We present the first proposal to apply rules to explain the emerging class of large language models (LLMs) with retrieval-augmented generation (RAG). Since RAG enables LLM systems to incorporate retrieved information sources at inference time, rules linking the presence or absence of sources can explain output provenance; e.g., "if a Times Higher Education ranking article is retrieved, then the LLM ranks Oxford first." To generate such rules, a brute force approach would probe the LLM with all source combinations and check if the presence or absence of any sources leads to the same output. We propose optimizations to speed up rule generation, inspired by Apriori-like pruning from frequent itemset mining but redefined within the scope of our novel problem. We conclude with qualitative and quantitative experiments demonstrating our solutions' value and efficiency.
📅 2025-10-26
The emergence of large language models (LLMs) has opened new opportunities for creating dynamic non-player characters (NPCs) in gaming environments, enabling both functional task execution and persona-consistent dialogue generation. In this paper, we (Tu_Character_lab) report our participation in the Commonsense Persona-Grounded Dialogue Challenge (CPDC) 2025 Round 2, which evaluates agents across three tracks: task-oriented dialogue, context-aware dialogue, and their integration. Our approach combines two complementary strategies: (i) lightweight prompting techniques in the API track, including a Deflanderization prompting method to suppress excessive role-play and improve task fidelity, and (ii) fine-tuned large models in the GPU track, leveraging Qwen3-14B with supervisedfinetuning (SFT) and Low-Rank Adaptation(LoRA). Our best submissions ranked 2nd on Task 1, 2nd on Task 3 (API track), and 4th on Task 3 (GPU track).
📅 2025-10-25
In this work, we study security of Model Context Protocol (MCP) agent toolchains and their applications in smart homes. We introduce AegisMCP, a protocol-level intrusion detector. Our contributions are: (i) a minimal attack suite spanning instruction-driven escalation, chain-of-tool exfiltration, malicious MCP server registration, and persistence; (ii) NEBULA-Schema (Network-Edge Behavioral Learning for Untrusted LLM Agents), a reusable protocol-level instrumentation that represents MCP activity as a streaming heterogeneous temporal graph over agents, MCP servers, tools, devices, remotes, and sessions; and (iii) a CPU-only streaming detector that fuses novelty, session-DAG structure, and attribute cues for near-real-time edge inference, with optional fusion of local prompt-guardrail signals. On an emulated smart-home testbed spanning multiple MCP stacks and a physical bench, AegisMCP achieves sub-second per-window model inference and end-to-end alerting. The latency of AegisMCP is consistently sub-second on Intel N150-class edge hardware, while outperforming traffic-only and sequence baselines; ablations confirm the importance of DAG and install/permission signals. We release code, schemas, and generators for reproducible evaluation.
📅 2025-10-25
Multi-agent systems of large language models (LLMs) are rapidly expanding across domains, introducing dynamics not captured by single-agent evaluations. Yet, existing work has mostly contrasted the behavior of a single agent with that of a collective of fixed size, leaving open a central question: how does group size shape dynamics? Here, we move beyond this dichotomy and systematically explore outcomes across the full range of group sizes. We focus on multi-agent misalignment, building on recent evidence that interacting LLMs playing a simple coordination game can generate collective biases absent in individual models. First, we show that collective bias is a deeper phenomenon than previously assessed: interaction can amplify individual biases, introduce new ones, or override model-level preferences. Second, we demonstrate that group size affects the dynamics in a non-linear way, revealing model-dependent dynamical regimes. Finally, we develop a mean-field analytical approach and show that, above a critical population size, simulations converge to deterministic predictions that expose the basins of attraction of competing equilibria. These findings establish group size as a key driver of multi-agent dynamics and highlight the need to consider population-level effects when deploying LLM-based systems at scale.
📅 2025-10-25
Tangled code changes, commits that conflate unrelated modifications such as bug fixes, refactorings, and enhancements, introduce significant noise into bug datasets and adversely affect the performance of bug prediction models. Addressing this issue at a fine-grained, method-level granularity remains unexplored. This is critical to address, as recent bug prediction models, driven by practitioner demand, are increasingly focusing on finer granularity rather than traditional class- or file-level predictions. This study investigates the utility of Large Language Models (LLMs) for detecting tangled code changes by leveraging both commit messages and method-level code diffs. We formulate the problem as a binary classification task and evaluate multiple prompting strategies, including zero-shot, few-shot, and chain-of-thought prompting, using state-of-the-art proprietary LLMs such as GPT-5 and Gemini-2.0-Flash, and open-source models such as GPT-OSS-120B and CodeBERT. Our results demonstrate that combining commit messages with code diffs significantly enhances model performance, with the combined few-shot and chain-of-thought prompting achieving an F1-score of 0.883. Additionally, we explore machine learning models trained on LLM-generated embeddings, where a multi-layer perceptron classifier achieves superior performance (F1-score: 0.906, MCC: 0.807). Applying our approach to 49 open-source projects improves the distributional separability of code metrics between buggy and non-buggy methods, demonstrating the promise of LLMs for method-level commit untangling and potentially contributing to improving the accuracy of future bug prediction models.
📅 2025-10-25 | 💬 Accepted at EMNLP 2025
Large language models (LLMs) remain unreliable for global enterprise applications due to substantial performance gaps between high-resource and mid/low-resource languages, driven by English-centric pretraining and internal reasoning biases. This inconsistency undermines customer experience and operational reliability in multilingual settings such as customer support, content moderation, and information retrieval. Even with advanced Retrieval-Augmented Generation (RAG) systems, we observe up to an 29% accuracy drop in non-English languages compared to English. We propose a practical, batch-wise alignment strategy for fine-tuning LLMs, leveraging semantically equivalent multilingual data in each training batch to directly align model outputs across languages. This approach improves non-English accuracy by up to 23.9% without compromising English performance, model reasoning, or retrieval quality. Our method is simple to implement, scalable, and integrates seamlessly with existing LLM training & deployment pipelines, enabling more robust and equitable multilingual AI solutions in industry.
📅 2025-10-25
Low-rank gradient-based optimization methods have significantly improved memory efficiency during the training of large language models (LLMs), enabling operations within constrained hardware without sacrificing performance. However, these methods primarily emphasize memory savings, often overlooking potential acceleration in convergence due to their reliance on standard isotropic steepest descent techniques, which can perform suboptimally in the highly anisotropic landscapes typical of deep networks, particularly LLMs. In this paper, we propose SUMO (Subspace-Aware Moment-Orthogonalization), an optimizer that employs exact singular value decomposition (SVD) for moment orthogonalization within a dynamically adapted low-dimensional subspace, enabling norm-inducing steepest descent optimization steps. By explicitly aligning optimization steps with the spectral characteristics of the loss landscape, SUMO effectively mitigates approximation errors associated with commonly used methods like Newton-Schulz orthogonalization approximation. We theoretically establish an upper bound on these approximation errors, proving their dependence on the condition numbers of moments, conditions we analytically demonstrate are encountered during LLM training. Furthermore, we both theoretically and empirically illustrate that exact orthogonalization via SVD substantially improves convergence rates while reducing overall complexity. Empirical evaluations confirm that SUMO accelerates convergence, enhances stability, improves performance, and reduces memory requirements by up to 20% compared to state-of-the-art methods.
📅 2025-10-25 | 💬 NeurIPS 2025
Low-rank optimization has emerged as a promising approach to enabling memory-efficient training of large language models (LLMs). Existing low-rank optimization methods typically project gradients onto a low-rank subspace, reducing the memory cost of storing optimizer states. A key challenge in these methods is selecting suitable subspaces to ensure an effective optimization trajectory. Most existing approaches select the dominant subspace to preserve gradient information, as this intuitively provides the best approximation. However, we find that in practice, the dominant subspace stops changing during pretraining, thereby constraining weight updates to similar subspaces. In this paper, we propose importance sampling for low-rank optimization in LLM pretraining with a provable convergence guarantee, which the dominant subspace approach does not have. Empirically, we demonstrate that our method significantly outperforms previous methods in LLM pretraining tasks.
📅 2025-10-25
LLM unlearning has emerged as a promising approach, aiming to enable models to forget hazardous/undesired knowledge at low cost while preserving as much model utility as possible. Among existing techniques, the most straightforward method is performing Gradient Ascent (GA) w.r.t. the forget data, thereby forcing the model to unlearn the forget dataset. However, GA suffers from severe instability, as it drives updates in a divergent direction, often resulting in drastically degraded model utility. To address this issue, we propose Smoothed Gradient Ascent (SGA). SGA combines the forget data with multiple constructed normal data through a tunable smoothing rate. Intuitively, this extends GA from learning solely on the forget data to jointly learning across both forget and normal data, enabling more stable unlearning while better preserving model utility. Theoretically, we provide the theoretical guidance on the selection of the optimal smoothing rate. Empirically, we evaluate SGA on three benchmarks: TOFU, Harry Potter, and MUSE-NEWS. Experimental results demonstrate that SGA consistently outperforms the original Gradient Ascent (GA) method across all metrics and achieves top-2 performance among all baseline methods on several key metrics.
📅 2025-10-25
As large language models (LLMs) are increasingly used in human-AI interactions, their social reasoning capabilities in interpersonal contexts are critical. We introduce SCRIPTS, a 1k-dialogue dataset in English and Korean, sourced from movie scripts. The task involves evaluating models' social reasoning capability to infer the interpersonal relationships (e.g., friends, sisters, lovers) between speakers in each dialogue. Each dialogue is annotated with probabilistic relational labels (Highly Likely, Less Likely, Unlikely) by native (or equivalent) Korean and English speakers from Korea and the U.S. Evaluating nine models on our task, current proprietary LLMs achieve around 75-80% on the English dataset, whereas their performance on Korean drops to 58-69%. More strikingly, models select Unlikely relationships in 10-25% of their responses. Furthermore, we find that thinking models and chain-of-thought prompting, effective for general reasoning, provide minimal benefits for social reasoning and occasionally amplify social biases. Our findings reveal significant limitations in current LLMs' social reasoning capabilities, highlighting the need for efforts to develop socially-aware language models.
📅 2025-10-25
This study proposes an interpretable prediction framework with literature-informed fine-tuned (LIFT) LLMs for truck driving risk prediction. The framework integrates an LLM-driven Inference Core that predicts and explains truck driving risk, a Literature Processing Pipeline that filters and summarizes domain-specific literature into a literature knowledge base, and a Result Evaluator that evaluates the prediction performance as well as the interpretability of the LIFT LLM. After fine-tuning on a real-world truck driving risk dataset, the LIFT LLM achieved accurate risk prediction, outperforming benchmark models by 26.7% in recall and 10.1% in F1-score. Furthermore, guided by the literature knowledge base automatically constructed from 299 domain papers, the LIFT LLM produced variable importance ranking consistent with that derived from the benchmark model, while demonstrating robustness in interpretation results to various data sampling conditions. The LIFT LLM also identified potential risky scenarios by detecting key combination of variables in truck driving risk, which were verified by PERMANOVA tests. Finally, we demonstrated the contribution of the literature knowledge base and the fine-tuning process in the interpretability of the LIFT LLM, and discussed the potential of the LIFT LLM in data-driven knowledge discovery.
📅 2025-10-25 | 💬 20 pages, 3 figures, 3 appendices
Large Language Models (LLMs) excel in various natural language tasks but often struggle with long-horizon planning problems requiring structured reasoning. This limitation has drawn interest in integrating neuro-symbolic approaches within the Automated Planning (AP) and Natural Language Processing (NLP) communities. However, identifying optimal AP deployment frameworks can be daunting and introduces new challenges. This paper aims to provide a timely survey of the current research with an in-depth analysis, positioning LLMs as tools for formalizing and refining planning specifications to support reliable off-the-shelf AP planners. By systematically reviewing the current state of research, we highlight methodologies, and identify critical challenges and future directions, hoping to contribute to the joint research on NLP and Automated Planning.
📅 2025-10-25 | 💬 32 pages, 6 figures
The proliferation of long-form documents presents a fundamental challenge to information retrieval (IR), as their length, dispersed evidence, and complex structures demand specialized methods beyond standard passage-level techniques. This survey provides the first comprehensive treatment of long-document retrieval (LDR), consolidating methods, challenges, and applications across three major eras. We systematize the evolution from classical lexical and early neural models to modern pre-trained (PLM) and large language models (LLMs), covering key paradigms like passage aggregation, hierarchical encoding, efficient attention, and the latest LLM-driven re-ranking and retrieval techniques. Beyond the models, we review domain-specific applications, specialized evaluation resources, and outline critical open challenges such as efficiency trade-offs, multimodal alignment, and faithfulness. This survey aims to provide both a consolidated reference and a forward-looking agenda for advancing long-document retrieval in the era of foundation models.
📅 2025-10-25
Time series analysis provides essential insights for real-world system dynamics and informs downstream decision-making, yet most existing methods often overlook the rich contextual signals present in auxiliary modalities. To bridge this gap, we introduce TimeXL, a multi-modal prediction framework that integrates a prototype-based time series encoder with three collaborating Large Language Models (LLMs) to deliver more accurate predictions and interpretable explanations. First, a multi-modal prototype-based encoder processes both time series and textual inputs to generate preliminary forecasts alongside case-based rationales. These outputs then feed into a prediction LLM, which refines the forecasts by reasoning over the encoder's predictions and explanations. Next, a reflection LLM compares the predicted values against the ground truth, identifying textual inconsistencies or noise. Guided by this feedback, a refinement LLM iteratively enhances text quality and triggers encoder retraining. This closed-loop workflow-prediction, critique (reflect), and refinement-continuously boosts the framework's performance and interpretability. Empirical evaluations on four real-world datasets demonstrate that TimeXL achieves up to 8.9% improvement in AUC and produces human-centric, multi-modal explanations, highlighting the power of LLM-driven reasoning for time series prediction.
📅 2025-10-25 | 💬 Work done in November - December 2024
We study clinical Named Entity Recognition (NER) on the CADEC corpus and compare three families of approaches: (i) BERT-style encoders (BERT Base, BioClinicalBERT, RoBERTa-large), (ii) GPT-4o used with few-shot in-context learning (ICL) under simple vs.\ complex prompts, and (iii) GPT-4o with supervised fine-tuning (SFT). All models are evaluated on standard NER metrics over CADEC's five entity types (ADR, Drug, Disease, Symptom, Finding). RoBERTa-large and BioClinicalBERT offer limited improvements over BERT Base, showing the limit of these family of models. Among LLM settings, simple ICL outperforms a longer, instruction-heavy prompt, and SFT achieves the strongest overall performance (F1 $\approx$ 87.1%), albeit with higher cost. We find that the LLM achieve higher accuracy on simplified tasks, restricting classification to two labels.
📅 2025-10-25
Training large language models (LLMs) is highly resource-intensive due to their massive number of parameters and the overhead of optimizer states. While recent work has aimed to reduce memory consumption, such efforts often entail trade-offs among memory efficiency, training time, and model performance. Yet, true democratization of LLMs requires simultaneous progress across all three dimensions. To this end, we propose SubTrack++ that leverages Grassmannian gradient subspace tracking combined with projection-aware optimizers, enabling Adam's internal statistics to adapt to subspace changes. Additionally, employing recovery scaling, a technique that restores information lost through low-rank projections, further enhances model performance. Our method demonstrates SOTA convergence by exploiting Grassmannian geometry, reducing pre-training wall-time by up to 65% and fine-tuning time by 36% compared to existing SOTA methods, while maintaining the same memory footprint.
📅 2025-10-25
Online ride-hailing platforms aim to deliver efficient mobility-on-demand services, often facing challenges in balancing dynamic and spatially heterogeneous supply and demand. Existing methods typically fall into two categories: reinforcement learning (RL) approaches, which suffer from data inefficiency, oversimplified modeling of real-world dynamics, and difficulty enforcing operational constraints; or decomposed online optimization methods, which rely on manually designed high-level objectives that lack awareness of low-level routing dynamics. To address this issue, we propose a novel hybrid framework that integrates large language model (LLM) with mathematical optimization in a dynamic hierarchical system: (1) it is training-free, removing the need for large-scale interaction data as in RL, and (2) it leverages LLM to bridge cognitive limitations caused by problem decomposition by adaptively generating high-level objectives. Within this framework, LLM serves as a meta-optimizer, producing semantic heuristics that guide a low-level optimizer responsible for constraint enforcement and real-time decision execution. These heuristics are refined through a closed-loop evolutionary process, driven by harmony search, which iteratively adapts the LLM prompts based on feasibility and performance feedback from the optimization layer. Extensive experiments based on scenarios derived from both the New York and Chicago taxi datasets demonstrate the effectiveness of our approach, achieving an average improvement of 16% compared to state-of-the-art baselines.
📅 2025-10-25
Traditional vulnerability detection methods rely heavily on predefined rule matching, which often fails to capture vulnerabilities accurately. With the rise of large language models (LLMs), leveraging their ability to understand code semantics has emerged as a promising direction for achieving more accurate and efficient vulnerability detection. However, current LLM-based approaches face significant challenges: instability in model outputs, limitations in context length, and hallucination. As a result, many existing solutions either use LLMs merely to enrich predefined rule sets, thereby keeping the detection process fundamentally rule-based, or over-rely on them, leading to poor robustness. To address these challenges, we propose a constraint-solving approach powered by LLMs named VULSOLVER. By modeling vulnerability detection as a constraint-solving problem, and by integrating static application security testing (SAST) with the semantic reasoning capabilities of LLMs, our method enables the LLM to act like a professional human security expert. We assess VULSOLVER on the OWASP Benchmark (1,023 labeled samples), achieving 97.85% accuracy, 97.97% F1-score, and 100% recall. Applied to popular GitHub repositories, VULSOLVER also identified 15 previously unknown high-severity vulnerabilities (CVSS 7.5-9.8), demonstrating its effectiveness in real-world security analysis.
📅 2025-10-25
Large language models (LLMs) have shown remarkable success in recent years, enabling a wide range of applications, including intelligent assistants that support users' daily life and work. A critical factor in building such assistants is personalizing LLMs, as user preferences and needs vary widely. Activation steering, which directly leverages directions representing user preference in the LLM activation space to adjust its behavior, offers a cost-effective way to align the model's outputs with individual users. However, existing methods rely on all historical data to compute the steering vector, ignoring that not all content reflects true user preferences, which undermines the personalization signal. To address this, we propose SteerX, a disentangled steering method that isolates preference-driven components from preference-agnostic components. Grounded in causal inference theory, SteerX estimates token-level causal effects to identify preference-driven tokens, transforms these discrete signals into a coherent description, and then leverages them to steer personalized LLM generation. By focusing on the truly preference-driven information, SteerX produces more accurate activation steering vectors and enhances personalization. Experiments on two representative steering backbone methods across real-world datasets demonstrate that SteerX consistently enhances steering vector quality, offering a practical solution for more effective LLM personalization.
📅 2025-10-25 | 💬 16 pages, 14 figures
Reinforcement Learning with Verifiable Rewards (RLVR) has significantly improved LLM reasoning, but its sparse, outcome-based reward provides no guidance for intermediate steps, slowing exploration. We propose Progressively Ascending Confidence Reward (PACR), a dense, model-intrinsic reward computed directly from the model's evolving belief in the correct answer. PACR encodes the inductive bias that, along a well-formed reasoning trajectory, the probability of the ground-truth answer should have a generally ascending trend. We provide empirical and theoretical analysis validating that such an inductive bias constrains the exploration search space to regions richer in logically sound reasoning. We demonstrate that PACR accelerates exploration, reaches reward saturation with fewer trajectories, and yields improvements on multiple benchmarks. Our results suggest that dense, model-intrinsic shaping signals can make RLVR training more effective and reliable.
📅 2025-10-25
We proposed Static and Dynamic -- two zero-shot logits-layer debiasing methods. Dynamic reduces bias by up to 70% with minimal fluency loss. Logits intervention outperforms hidden-layer approaches. We show semantic-aware logits intervention is stable and effective for debiasing aligned LLMs.
📅 2025-10-25 | 💬 Reliable ML and Regulatable ML workshops, Neurips 2025
As Large Language Model (LLM) agents increasingly operate in complex environments with real-world consequences, their safety becomes critical. While uncertainty quantification is well-studied for single-turn tasks, multi-turn agentic scenarios with real-world tool access present unique challenges where uncertainties and ambiguities compound, leading to severe or catastrophic risks beyond traditional text generation failures. We propose using "quitting" as a simple yet effective behavioral mechanism for LLM agents to recognize and withdraw from situations where they lack confidence. Leveraging the ToolEmu framework, we conduct a systematic evaluation of quitting behavior across 12 state-of-the-art LLMs. Our results demonstrate a highly favorable safety-helpfulness trade-off: agents prompted to quit with explicit instructions improve safety by an average of +0.39 on a 0-3 scale across all models (+0.64 for proprietary models), while maintaining a negligible average decrease of -0.03 in helpfulness. Our analysis demonstrates that simply adding explicit quit instructions proves to be a highly effective safety mechanism that can immediately be deployed in existing agent systems, and establishes quitting as an effective first-line defense mechanism for autonomous agents in high-stakes applications.
📅 2025-10-25
Large Language Models (LLMs) increasingly serve as research assistants, yet their reliability in scholarly tasks remains under-evaluated. In this work, we introduce PaperAsk, a benchmark that systematically evaluates LLMs across four key research tasks: citation retrieval, content extraction, paper discovery, and claim verification. We evaluate GPT-4o, GPT-5, and Gemini-2.5-Flash under realistic usage conditions-via web interfaces where search operations are opaque to the user. Through controlled experiments, we find consistent reliability failures: citation retrieval fails in 48-98% of multi-reference queries, section-specific content extraction fails in 72-91% of cases, and topical paper discovery yields F1 scores below 0.32, missing over 60% of relevant literature. Further human analysis attributes these failures to the uncontrolled expansion of retrieved context and the tendency of LLMs to prioritize semantically relevant text over task instructions. Across basic tasks, the LLMs display distinct failure behaviors: ChatGPT often withholds responses rather than risk errors, whereas Gemini produces fluent but fabricated answers. To address these issues, we develop lightweight reliability classifiers trained on PaperAsk data to identify unreliable outputs. PaperAsk provides a reproducible and diagnostic framework for advancing the reliability evaluation of LLM-based scholarly assistance systems.
📅 2025-10-25 | 💬 8 pages. Limitations, ethical considerations, and references are additional
Disfluencies are a natural feature of spontaneous human speech but are typically absent from the outputs of Large Language Models (LLMs). This absence can diminish the perceived naturalness of synthesized speech, which is an important criteria when building conversational agents that aim to mimick human behaviours. We show how the insertion of disfluencies can alleviate this shortcoming. The proposed approach involves (1) fine-tuning an LLM with Low-Rank Adaptation (LoRA) to incorporate various types of disfluencies into LLM-generated utterances and (2) synthesizing those utterances using a text-to-speech model that supports the generation of speech phenomena such as disfluencies. We evaluated the quality of the generated speech across two metrics: intelligibility and perceived spontaneity. We demonstrate through a user study that the insertion of disfluencies significantly increase the perceived spontaneity of the generated speech. This increase came, however, along with a slight reduction in intelligibility.
📅 2025-10-25
Layer pruning has emerged as a widely adopted technique for improving the efficiency of large language models (LLMs). Although existing methods demonstrate strong performance retention on general knowledge tasks, their effect on long-chain reasoning, a more brittle yet crucial capability, remains largely unexplored. In this work, we study the impact of layer pruning on long-chain reasoning through the lens of test-time scaling, a key mechanism in modern LLMs that enables strong reasoning capacity by allocating more computation at inference time. With extensive experiments, we demonstrate that pruning even one or two layers can severely impair test-time scaling, with performance collapsing drastically on long reasoning benchmarks even when performance on knowledge-intensive and shallow reasoning tasks remains stable. Furthermore, we find that standard supervised fine-tuning remedies fail to recover test-time scaling once it has deteriorated. Through in-depth analyses, we identify the mechanisms underlying this fragility of test-time scaling and highlight the fundamental risks of applying layer pruning to reasoning-intensive LLMs. These findings call for a rethinking of layer pruning strategies and provide insights for developing methods that preserve the robustness of reasoning. We open-source the codebase in \href{https://github.com/keyu-wang-2002/Layer-Pruning-Harms-Inference-Scaling}{https://github.com/keyu-wang-2002/Layer-Pruning-Harms-Inference-Scaling}.
📅 2025-10-25 | 💬 Accepted by NeurIPS2025
Heterogeneous Large Language Model (LLM) fusion integrates the strengths of multiple source LLMs with different architectures into a target LLM with low computational overhead. While promising, existing methods suffer from two major limitations: 1) reliance on real data from limited domain for knowledge fusion, preventing the target LLM from fully acquiring knowledge across diverse domains, and 2) fixed data allocation proportions across domains, failing to dynamically adjust according to the target LLM's varying capabilities across domains, leading to a capability imbalance. To overcome these limitations, we propose Bohdi, a synthetic-data-only heterogeneous LLM fusion framework. Through the organization of knowledge domains into a hierarchical tree structure, Bohdi enables automatic domain exploration and multi-domain data generation through multi-model collaboration, thereby comprehensively extracting knowledge from source LLMs. By formalizing domain expansion and data sampling proportion allocation on the knowledge tree as a Hierarchical Multi-Armed Bandit problem, Bohdi leverages the designed DynaBranches mechanism to adaptively adjust sampling proportions based on the target LLM's performance feedback across domains. Integrated with our proposed Introspection-Rebirth (IR) mechanism, DynaBranches dynamically tracks capability shifts during target LLM's updates via Sliding Window Binomial Likelihood Ratio Testing (SWBLRT), further enhancing its online adaptation capability. Comparative experimental results on a comprehensive suite of benchmarks demonstrate that Bohdi significantly outperforms existing baselines on multiple target LLMs, exhibits higher data efficiency, and virtually eliminates the imbalance in the target LLM's capabilities. Our code is available at https://github.com/gjq100/Bohdi.git.
📅 2025-10-25 | 💬 Published at NeurIPS 2025
Optimization modeling is one of the most crucial but technical parts of operations research (OR). To automate the modeling process, existing works have leveraged large language models (LLMs), prompting them to break down tasks into steps for generating variables, constraints, and objectives. However, due to the highly complex mathematical structures inherent in OR problems, standard fixed-step decomposition often fails to achieve high performance. To address this challenge, we introduce OptiTree, a novel tree search approach designed to enhance modeling capabilities for complex problems through adaptive problem decomposition into simpler subproblems. Specifically, we develop a modeling tree that organizes a wide range of OR problems based on their hierarchical problem taxonomy and complexity, with each node representing a problem category and containing relevant high-level modeling thoughts. Given a problem to model, we recurrently search the tree to identify a series of simpler subproblems and synthesize the global modeling thoughts by adaptively integrating the hierarchical thoughts. Experiments show that OptiTree significantly improves the modeling accuracy compared to the state-of-the-art, achieving over 10\% improvements on the challenging benchmarks. The code is released at https://github.com/MIRALab-USTC/OptiTree/tree/main.
📅 2025-10-25
Lipograms are a unique form of constrained writing where all occurrences of a particular letter are excluded from the text, typified by the novel Gadsby, which daringly avoids all usage of the letter 'e'. In this study, we explore the power of modern large language models (LLMs) by transforming the novel F. Scott Fitzgerald's The Great Gatsby into a fully 'e'-less text. We experimented with a range of techniques, from baseline methods like synonym replacement to sophisticated generative models enhanced with beam search and named entity analysis. We show that excluding up to 3.6% of the most common letters (up to the letter 'u') had minimal impact on the text's meaning, although translation fidelity rapidly and predictably decays with stronger lipogram constraints. Our work highlights the surprising flexibility of English under strict constraints, revealing just how adaptable and creative language can be.
📅 2025-10-25 | 💬 19 pages, 11 figures, Accepted by NeurIPS 2025
Lifelong knowledge editing enables continuous, precise updates to outdated knowledge in large language models (LLMs) without computationally expensive full retraining. However, existing methods often accumulate errors throughout the editing process, causing a gradual decline in both editing accuracy and generalization. To tackle this problem, we propose Neuron-Specific Masked Knowledge Editing (NMKE), a novel fine-grained editing framework that combines neuron-level attribution with dynamic sparse masking. Leveraging neuron functional attribution, we identify two key types of knowledge neurons, with knowledge-general neurons activating consistently across prompts and knowledge-specific neurons activating to specific prompts. NMKE further introduces an entropy-guided dynamic sparse mask, locating relevant neurons to the target knowledge. This strategy enables precise neuron-level knowledge editing with fewer parameter modifications. Experimental results from thousands of sequential edits demonstrate that NMKE outperforms existing methods in maintaining high editing success rates and preserving model general capabilities in lifelong editing.
📅 2025-10-25 | 💬 8 pages, 15 figures
Despite recent advances in Unmanned Underwater Vehicle (UUV) attitude control, existing methods still struggle with generalizability, robustness to real-world disturbances, and efficient deployment. To address the above challenges, this paper presents EasyUUV, a Large Language Model (LLM)-enhanced, universal, and lightweight simulation-to-reality reinforcement learning (RL) framework for robust attitude control of UUVs. EasyUUV combines parallelized RL training with a hybrid control architecture, where a learned policy outputs high-level attitude corrections executed by an adaptive S-Surface controller. A multimodal LLM is further integrated to adaptively tune controller parameters at runtime using visual and textual feedback, enabling training-free adaptation to unmodeled dynamics. Also, we have developed a low-cost 6-DoF UUV platform and applied an RL policy trained through efficient parallelized simulation. Extensive simulation and real-world experiments validate the effectiveness and outstanding performance of EasyUUV in achieving robust and adaptive UUV attitude control across diverse underwater conditions. The source code is available from the following website: https://360zmem.github.io/easyuuv/
📅 2025-10-25 | 💬 27 pages, 3 figures. Preprint version under review
Measuring the ideational content of populism remains a challenge. Traditional strategies based on textual analysis have been critical for building the field's foundations and providing a valid, objective indicator of populist framing. Yet these approaches are costly, time consuming, and difficult to scale across languages, contexts, and large corpora. Here we present the results from a rubric and anchor guided chain of thought (CoT) prompting approach that mirrors human coder training. By leveraging the Global Populism Database (GPD), a comprehensive dataset of global leaders' speeches annotated for degrees of populism, we replicate the process used to train human coders by prompting the LLM with an adapted version of the same documentation to guide the model's reasoning. We then test multiple proprietary and open weight models by replicating scores in the GPD. Our findings reveal that this domain specific prompting strategy enables the LLM to achieve classification accuracy on par with expert human coders, demonstrating its ability to navigate the nuanced, context sensitive aspects of populism.
📅 2025-10-24 | 💬 28 pages, 4 figures, 4 tables
Unlocking deep and interpretable biological reasoning from complex genomic data remains a major AI challenge limiting scientific progress. While current DNA foundation models excel at representing sequences, they struggle with multi-step reasoning and lack transparent, biologically meaningful explanations. BioReason addresses this by tightly integrating a DNA foundation model with a large language model (LLM), enabling the LLM to directly interpret and reason over genomic information. Through supervised fine-tuning and reinforcement learning, BioReason learns to produce logical, biologically coherent deductions. It achieves major performance gains, boosting KEGG-based disease pathway prediction accuracy from 86% to 98% and improving variant effect prediction by an average of 15% over strong baselines. BioReason can reason over unseen biological entities and explain its decisions step by step, offering a transformative framework for interpretable, mechanistic AI in biology. All data, code, and checkpoints are available at https://github.com/bowang-lab/BioReason
📅 2025-10-24 | 💬 NeurIPS 2025
Knowledge distillation is a promising approach to transfer capabilities from complex teacher models to smaller, resource-efficient student models that can be deployed easily, particularly in task-aware scenarios. However, existing methods of task-aware distillation typically require substantial quantities of data which may be unavailable or expensive to obtain in many practical scenarios. In this paper, we address this challenge by introducing a novel strategy called Counterfactual-explanation-infused Distillation CoD for few-shot task-aware knowledge distillation by systematically infusing counterfactual explanations. Counterfactual explanations (CFEs) refer to inputs that can flip the output prediction of the teacher model with minimum perturbation. Our strategy CoD leverages these CFEs to precisely map the teacher's decision boundary with significantly fewer samples. We provide theoretical guarantees for motivating the role of CFEs in distillation, from both statistical and geometric perspectives. We mathematically show that CFEs can improve parameter estimation by providing more informative examples near the teacher's decision boundary. We also derive geometric insights on how CFEs effectively act as knowledge probes, helping the students mimic the teacher's decision boundaries more effectively than standard data. We perform experiments across various datasets and LLMs to show that CoD outperforms standard distillation approaches in few-shot regimes (as low as 8-512 samples). Notably, CoD only uses half of the original samples used by the baselines, paired with their corresponding CFEs and still improves performance.
📅 2025-10-24
Retrieval-Augmented Generation (RAG) integrates external knowledge with Large Language Models (LLMs) to enhance factual correctness and mitigate hallucination. However, dense retrievers often become the bottleneck of RAG systems due to their limited parameters compared to LLMs and their inability to perform step-by-step reasoning. While prompt-based iterative RAG attempts to address these limitations, it is constrained by human-designed workflows. To address these limitations, we propose $\textbf{R3-RAG}$, which uses $\textbf{R}$einforcement learning to make the LLM learn how to $\textbf{R}$eason and $\textbf{R}$etrieve step by step, thus retrieving comprehensive external knowledge and leading to correct answers. R3-RAG is divided into two stages. We first use cold start to make the model learn the manner of iteratively interleaving reasoning and retrieval. Then we use reinforcement learning to further harness its ability to better explore the external retrieval environment. Specifically, we propose two rewards for R3-RAG: 1) answer correctness for outcome reward, which judges whether the trajectory leads to a correct answer; 2) relevance-based document verification for process reward, encouraging the model to retrieve documents that are relevant to the user question, through which we can let the model learn how to iteratively reason and retrieve relevant documents to get the correct answer. Experimental results show that R3-RAG significantly outperforms baselines and can transfer well to different retrievers. We release R3-RAG at https://github.com/Yuan-Li-FNLP/R3-RAG.
📅 2025-10-24 | 💬 Accepted to NeurIPS 2025
A major challenge in aligning large language models (LLMs) with human preferences is the issue of distribution shift. LLM alignment algorithms rely on static preference datasets, assuming that they accurately represent real-world user preferences. However, user preferences vary significantly across geographical regions, demographics, linguistic patterns, and evolving cultural trends. This preference distribution shift leads to catastrophic alignment failures in many real-world applications. We address this problem using the principled framework of distributionally robust optimization, and develop two novel distributionally robust direct preference optimization (DPO) algorithms, namely, Wasserstein DPO (WDPO) and Kullback-Leibler DPO (KLDPO). We characterize the sample complexity of learning the optimal policy parameters for WDPO and KLDPO. Moreover, we propose scalable gradient descent-style learning algorithms by developing suitable approximations for the challenging minimax loss functions of WDPO and KLDPO. Our empirical experiments using benchmark data sets and LLMs demonstrate the superior performance of WDPO and KLDPO in substantially improving the alignment when there is a preference distribution shift.
📅 2025-10-24 | 💬 https://kathcym.github.io/CiteGuard_Page
Large Language Models (LLMs) have emerged as promising assistants for scientific writing. However, there have been concerns regarding the quality and reliability of the generated text, one of which is the citation accuracy and faithfulness. While most recent work relies on methods such as LLM-as-a-Judge, the reliability of LLM-as-a-Judge alone is also in doubt. In this work, we reframe citation evaluation as a problem of citation attribution alignment, which is assessing whether LLM-generated citations match those a human author would include for the same text. We propose CiteGuard, a retrieval-aware agent framework designed to provide more faithful grounding for citation validation. CiteGuard improves the prior baseline by 12.3%, and achieves up to 65.4% accuracy on the CiteME benchmark, on par with human-level performance (69.7%). It also enables the identification of alternative but valid citations.
📅 2025-10-24
Large Language Models (LLMs) display notable variation in multilingual behavior, yet the role of genealogical language structure in shaping this variation remains underexplored. In this paper, we investigate whether LLMs exhibit sensitivity to linguistic genera by extending prior analyses on the MultiQ dataset. We first check if models prefer to switch to genealogically related languages when prompt language fidelity is not maintained. Next, we investigate whether knowledge consistency is better preserved within than across genera. We show that genus-level effects are present but strongly conditioned by training resource availability. We further observe distinct multilingual strategies across LLMs families. Our findings suggest that LLMs encode aspects of genus-level structure, but training data imbalances remain the primary factor shaping their multilingual performance.
📅 2025-10-24
Long-horizon reasoning in LLM-based agents often fails not from generative weakness but from insufficient verification of intermediate reasoning. Co-Sight addresses this challenge by turning reasoning into a falsifiable and auditable process through two complementary mechanisms: Conflict-Aware Meta-Verification (CAMV) and Trustworthy Reasoning with Structured Facts (TRSF). CAMV reformulates verification as conflict identification and targeted falsification, allocating computation only to disagreement hotspots among expert agents rather than to full reasoning chains. This bounds verification cost to the number of inconsistencies and improves efficiency and reliability. TRSF continuously organizes, validates, and synchronizes evidence across agents through a structured facts module. By maintaining verified, traceable, and auditable knowledge, it ensures that all reasoning is grounded in consistent, source-verified information and supports transparent verification throughout the reasoning process. Together, TRSF and CAMV form a closed verification loop, where TRSF supplies structured facts and CAMV selectively falsifies or reinforces them, yielding transparent and trustworthy reasoning. Empirically, Co-Sight achieves state-of-the-art accuracy on GAIA (84.4%) and Humanity's Last Exam (35.5%), and strong results on Chinese-SimpleQA (93.8%). Ablation studies confirm that the synergy between structured factual grounding and conflict-aware verification drives these improvements. Co-Sight thus offers a scalable paradigm for reliable long-horizon reasoning in LLM-based agents. Code is available at https://github.com/ZTE-AICloud/Co-Sight/tree/cosight2.0_benchmarks.
📅 2025-10-24 | 💬 26 pages, 21 figures
Reinforcement learning for LLM reasoning has rapidly emerged as a prominent research area, marked by a significant surge in related studies on both algorithmic innovations and practical applications. Despite this progress, several critical challenges remain, including the absence of standardized guidelines for employing RL techniques and a fragmented understanding of their underlying mechanisms. Additionally, inconsistent experimental settings, variations in training data, and differences in model initialization have led to conflicting conclusions, obscuring the key characteristics of these techniques and creating confusion among practitioners when selecting appropriate techniques. This paper systematically reviews widely adopted RL techniques through rigorous reproductions and isolated evaluations within a unified open-source framework. We analyze the internal mechanisms, applicable scenarios, and core principles of each technique through fine-grained experiments, including datasets of varying difficulty, model sizes, and architectures. Based on these insights, we present clear guidelines for selecting RL techniques tailored to specific setups, and provide a reliable roadmap for practitioners navigating the RL for the LLM domain. Finally, we reveal that a minimalist combination of two techniques can unlock the learning capability of critic-free policies using vanilla PPO loss. The results demonstrate that our simple combination consistently improves performance, surpassing strategies like GRPO and DAPO.
📅 2025-10-24 | 💬 21 pages, main paper 9 pages
A meaningful text can be hidden inside another, completely different yet still coherent and plausible, text of the same length. For example, a tweet containing a harsh political critique could be embedded in a tweet that celebrates the same political leader, or an ordinary product review could conceal a secret manuscript. This uncanny state of affairs is now possible thanks to Large Language Models, and in this paper we present a simple and efficient protocol to achieve it. We show that even modest 8-billion-parameter open-source LLMs are sufficient to obtain high-quality results, and a message as long as this abstract can be encoded and decoded locally on a laptop in seconds. The existence of such a protocol demonstrates a radical decoupling of text from authorial intent, further eroding trust in written communication, already shaken by the rise of LLM chatbots. We illustrate this with a concrete scenario: a company could covertly deploy an unfiltered LLM by encoding its answers within the compliant responses of a safe model. This possibility raises urgent questions for AI safety and challenges our understanding of what it means for a Large Language Model to know something.
📅 2025-10-24
Reinforcement learning (RL) has become essential for unlocking advanced reasoning capabilities in large language models (LLMs). RL workflows involve interleaving rollout and training stages with fundamentally different resource requirements. Rollout typically dominates overall execution time, yet scales efficiently through multiple independent instances. In contrast, training requires tightly-coupled GPUs with full-mesh communication. Existing RL frameworks fall into two categories: co-located and disaggregated architectures. Co-located ones fail to address this resource tension by forcing both stages to share the same GPUs. Disaggregated architectures, without modifications of well-established RL algorithms, suffer from resource under-utilization. Meanwhile, preemptible GPU resources, i.e., spot instances on public clouds and spare capacity in production clusters, present significant cost-saving opportunities for accelerating RL workflows, if efficiently harvested for rollout. In this paper, we present RLBoost, a systematic solution for cost-efficient RL training that harvests preemptible GPU resources. Our key insight is that rollout's stateless and embarrassingly parallel nature aligns perfectly with preemptible and often fragmented resources. To efficiently utilize these resources despite frequent and unpredictable availability changes, RLBoost adopts a hybrid architecture with three key techniques: (1) adaptive rollout offload to dynamically adjust workloads on the reserved (on-demand) cluster, (2) pull-based weight transfer that quickly provisions newly available instances, and (3) token-level response collection and migration for efficient preemption handling and continuous load balancing. Extensive experiments show RLBoost increases training throughput by 1.51x-1.97x while improving cost efficiency by 28%-49% compared to using only on-demand GPU resources.
📅 2025-10-24 | 💬 Accepted at the Workshop on Regulatable ML at the 39th Conference on Neural Information Processing Systems (NeurIPS 2025)
Large language models (LLMs) are increasingly deployed as agents in various contexts by providing tools at their disposal. However, LLM agents can exhibit unpredictable behaviors, including taking undesirable and/or unsafe actions. In order to measure the latent propensity of LLM agents for taking illegal actions under an EU legislative context, we introduce EU-Agent-Bench, a verifiable human-curated benchmark that evaluates an agent's alignment with EU legal norms in situations where benign user inputs could lead to unlawful actions. Our benchmark spans scenarios across several categories, including data protection, bias/discrimination, and scientific integrity, with each user request allowing for both compliant and non-compliant execution of the requested actions. Comparing the model's function calls against a rubric exhaustively supported by citations of the relevant legislature, we evaluate the legal compliance of frontier LLMs, and furthermore investigate the compliance effect of providing the relevant legislative excerpts in the agent's system prompt along with explicit instructions to comply. We release a public preview set for the research community, while holding out a private test set to prevent data contamination in evaluating upcoming models. We encourage future work extending agentic safety benchmarks to different legal jurisdictions and to multi-turn and multilingual interactions. We release our code on \href{https://github.com/ilijalichkovski/eu-agent-bench}{this URL}.
📅 2025-10-24
LLM-based web agents have recently made significant progress, but much of it has occurred in closed-source systems, widening the gap with open-source alternatives. Progress has been held back by two key challenges: first, a narrow focus on single-step tasks that overlooks the complexity of multi-step web interactions; and second, the high compute costs required to post-train LLM-based web agents. To address this, we present the first statistically grounded study on compute allocation for LLM web-agent post-training. Our approach uses a two-stage pipeline, training a Llama 3.1 8B student to imitate a Llama 3.3 70B teacher via supervised fine-tuning (SFT), followed by on-policy reinforcement learning. We find this process highly sensitive to hyperparameter choices, making exhaustive sweeps impractical. To spare others from expensive trial-and-error, we sample 1,370 configurations and use bootstrapping to estimate effective hyperparameters. Our results show that combining SFT with on-policy RL consistently outperforms either approach alone on both WorkArena and MiniWob++. Further, this strategy requires only 55% of the compute to match the peak performance of pure SFT on MiniWob++, effectively pushing the compute-performance Pareto frontier, and is the only strategy that can close the gap with closed-source models.
📅 2025-10-24
Today's pursuit of a single Large Language Model (LMM) for all software engineering tasks is resource-intensive and overlooks the potential benefits of complementarity, where different models contribute unique strengths. However, the degree to which coding LLMs complement each other and the best strategy for maximizing an ensemble's potential are unclear, leaving practitioners without a clear path to move beyond single-model systems. To address this gap, we empirically compare ten individual LLMs from five families, and three ensembles of these LLMs across three software engineering benchmarks covering code generation and program repair. We assess the complementarity between models and the performance gap between the best individual model and the ensembles. Next, we evaluate various selection heuristics to identify correct solutions from an ensemble's candidate pool. We find that the theoretical upperbound for an ensemble's performance can be 83% above the best single model. Our results show that consensus-based strategies for selecting solutions fall into a "popularity trap," amplifying common but incorrect outputs. In contrast, a diversity-based strategy realizes up to 95% of this theoretical potential, and proves effective even in small two-model ensembles, enabling a cost-efficient way to enhance performance by leveraging multiple LLMs.
📅 2025-10-24
Finetuning large language models (LLMs) enables user-specific customization but introduces critical safety risks: even a few harmful examples can compromise safety alignment. A common mitigation strategy is to update the model more strongly on examples deemed safe, while downweighting or excluding those flagged as unsafe. However, because safety context can shift within a single example, updating the model equally on both harmful and harmless parts of a response is suboptimal-a coarse treatment we term static safety shaping. In contrast, we propose dynamic safety shaping (DSS), a framework that uses fine-grained safety signals to reinforce learning from safe segments of a response while suppressing unsafe content. To enable such fine-grained control during finetuning, we introduce a key insight: guardrail models, traditionally used for filtering, can be repurposed to evaluate partial responses, tracking how safety risk evolves throughout the response, segment by segment. This leads to the Safety Trajectory Assessment of Response (STAR), a token-level signal that enables shaping to operate dynamically over the training sequence. Building on this, we present STAR-DSS, guided by STAR scores, that robustly mitigates finetuning risks and delivers substantial safety improvements across diverse threats, datasets, and model families-all without compromising capability on intended tasks. We encourage future safety research to build on dynamic shaping principles for stronger mitigation against evolving finetuning risks. Our code is publicly available at https://github.com/poloclub/star-dss.
📅 2025-10-24 | 💬 To appear in NeurIPS 2025 Workshop on Bridging Language, Agent, and World Models (LAW)
Simulating human reasoning in open-ended tasks has been a long-standing aspiration in AI and cognitive science. While large language models now approximate human responses at scale, they remain tuned to population-level consensus, often erasing the individuality of reasoning styles and belief trajectories. To advance the vision of more human-like reasoning in machines, we introduce HugAgent (Human-Grounded Agent Benchmark), a benchmark for average-to-individual reasoning adaptation. The task is to predict how a specific person would reason and update their beliefs in novel scenarios, given partial evidence of their past views. HugAgent adopts a dual-track design: a synthetic track for scale and systematic stress tests, and a human track for ecologically valid, "out-loud" reasoning data. This design enables scalable, reproducible evaluation of intra-agent fidelity: whether models can capture not just what people believe, but how their reasoning evolves. Experiments with state-of-the-art LLMs reveal persistent adaptation gaps, positioning HugAgent as the first extensible benchmark for aligning machine reasoning with the individuality of human thought. Our benchmark and chatbot are open-sourced as HugAgent (https://anonymous.4open.science/r/HugAgent) and TraceYourThinking (https://anonymous.4open.science/r/trace-your-thinking).
📅 2025-10-24 | 💬 Accepted by NeurIPS2025
We study the problem of determining whether a piece of text has been authored by a human or by a large language model (LLM). Existing state of the art logits-based detectors make use of statistics derived from the log-probability of the observed text evaluated using the distribution function of a given source LLM. However, relying solely on log probabilities can be sub-optimal. In response, we introduce AdaDetectGPT -- a novel classifier that adaptively learns a witness function from training data to enhance the performance of logits-based detectors. We provide statistical guarantees on its true positive rate, false positive rate, true negative rate and false negative rate. Extensive numerical studies show AdaDetectGPT nearly uniformly improves the state-of-the-art method in various combination of datasets and LLMs, and the improvement can reach up to 37\%. A python implementation of our method is available at https://github.com/Mamba413/AdaDetectGPT.
📅 2025-10-24 | 💬 to be published in: The 3rd International Conference on Foundation and Large Language Models (FLLM2025), IEEE, 2025
Honeypots are decoy systems used for gathering valuable threat intelligence or diverting attackers away from production systems. Maximising attacker engagement is essential to their utility. However research has highlighted that context-awareness, such as the ability to respond to new attack types, systems and attacker agents, is necessary to increase engagement. Large Language Models (LLMs) have been shown as one approach to increase context awareness but suffer from several challenges including accuracy and timeliness of response time, high operational costs and data-protection issues due to cloud deployment. We propose the System-Based Attention Shell Honeypot (SBASH) framework which manages data-protection issues through the use of lightweight local LLMs. We investigate the use of Retrieval Augmented Generation (RAG) supported LLMs and non-RAG LLMs for Linux shell commands and evaluate them using several different metrics such as response time differences, realism from human testers, and similarity to a real system calculated with Levenshtein distance, SBert, and BertScore. We show that RAG improves accuracy for untuned models while models that have been tuned via a system prompt that tells the LLM to respond like a Linux system achieve without RAG a similar accuracy as untuned with RAG, while having a slightly lower latency.
📅 2025-10-24
LLM developers have imposed technical interventions to prevent fine-tuning misuse attacks, attacks where adversaries evade safeguards by fine-tuning the model using a public API. Previous work has established several successful attacks against specific fine-tuning API defences. In this work, we show that defences of fine-tuning APIs that seek to detect individual harmful training or inference samples ('pointwise' detection) are fundamentally limited in their ability to prevent fine-tuning attacks. We construct 'pointwise-undetectable' attacks that repurpose entropy in benign model outputs (e.g. semantic or syntactic variations) to covertly transmit dangerous knowledge. Our attacks are composed solely of unsuspicious benign samples that can be collected from the model before fine-tuning, meaning training and inference samples are all individually benign and low-perplexity. We test our attacks against the OpenAI fine-tuning API, finding they succeed in eliciting answers to harmful multiple-choice questions, and that they evade an enhanced monitoring system we design that successfully detects other fine-tuning attacks. We encourage the community to develop defences that tackle the fundamental limitations we uncover in pointwise fine-tuning API defences.
📅 2025-10-24
Traditional Information Retrieval (IR) metrics, such as nDCG, MAP, and MRR, assume that human users sequentially examine documents with diminishing attention to lower ranks. This assumption breaks down in Retrieval Augmented Generation (RAG) systems, where search results are consumed by Large Language Models (LLMs), which, unlike humans, process all retrieved documents as a whole rather than sequentially. Additionally, traditional IR metrics do not account for related but irrelevant documents that actively degrade generation quality, rather than merely being ignored. Due to these two major misalignments, namely human vs. machine position discount and human relevance vs. machine utility, classical IR metrics do not accurately predict RAG performance. We introduce a utility-based annotation schema that quantifies both the positive contribution of relevant passages and the negative impact of distracting ones. Building on this foundation, we propose UDCG (Utility and Distraction-aware Cumulative Gain), a metric using an LLM-oriented positional discount to directly optimize the correlation with the end-to-end answer accuracy. Experiments on five datasets and six LLMs demonstrate that UDCG improves correlation by up to 36% compared to traditional metrics. Our work provides a critical step toward aligning IR evaluation with LLM consumers and enables more reliable assessment of RAG components
📅 2025-10-24
Large Language Models (LLMs) have demonstrated impressive reasoning capabilities in complex problem-solving tasks, sparking growing interest in their application to preference reasoning in recommendation systems. Existing methods typically rely on fine-tuning with explicit chain-of-thought (CoT) data. However, these methods face significant practical limitations due to (1) the difficulty of obtaining high-quality CoT data in recommendation and (2) the high inference latency caused by generating CoT reasoning. In this work, we explore an alternative approach that shifts from explicit CoT reasoning to compact, information-dense latent reasoning. This approach eliminates the need for explicit CoT generation and improves inference efficiency, as few latent tokens can effectively capture the entire reasoning process. Building on this idea, we propose \textit{\underline{R}einforced \underline{Latent} \underline{R}easoning for \underline{R}ecommendation} (LatentR$^3$), a novel end-to-end training framework that leverages reinforcement learning (RL) to optimize latent reasoning without relying on any CoT data. LatentR$^3$ adopts a two-stage training strategy: first, supervised fine-tuning to initialize the latent reasoning module, followed by pure RL training to encourage exploration through a rule-based reward design. Our RL implementation is based on a modified GRPO algorithm, which reduces computational overhead during training and introduces continuous reward signals for more efficient learning. Extensive experiments demonstrate that LatentR$^3$ enables effective latent reasoning without any direct supervision of the reasoning process, significantly improving performance when integrated with different LLM-based recommendation methods. Our codes are available at https://github.com/xuwenxinedu/R3.
📅 2025-10-24
Smart contract vulnerabilities cost billions of dollars annually, yet existing automated analysis tools fail to generate deployable defenses. We present FLAMES, a novel automated approach that synthesizes executable runtime guards as Solidity "require" statements to harden smart contracts against exploits. Unlike prior work that relies on vulnerability labels, symbolic analysis, or natural language specifications, FLAMES employs domain-adapted large language models trained through fill-in-the-middle supervised fine-tuning on real-world invariants extracted from 514,506 verified contracts. Our extensive evaluation across three dimensions demonstrates FLAMES's effectiveness: (1) Compilation: FLAMES achieves 96.7% compilability for synthesized invariant (2) Semantic Quality: on a curated test set of 5,000 challenging invariants, FLAMES produces exact or semantically equivalent matches to ground truth in 44.5% of cases; (3) Exploit Mitigation: FLAMES prevents 22 out of 108 real exploits (20.4%) while preserving contract functionality, and (4) FLAMES successfully blocks the real-world APEMAGA incident by synthesizing a pre-condition that mitigates the attack. FLAMES establishes that domain-adapted LLMs can automatically generate production-ready security defenses for smart contracts without requiring vulnerability detection, formal specifications, or human intervention. We release our code, model weights, datasets, and evaluation infrastructure to enable reproducible research in this critical domain.
📅 2025-10-24
The field of computer architecture, which bridges high-level software abstractions and low-level hardware implementations, remains absent from current large language model (LLM) evaluations. To this end, we present QuArch (pronounced 'quark'), the first benchmark designed to facilitate the development and evaluation of LLM knowledge and reasoning capabilities specifically in computer architecture. QuArch provides a comprehensive collection of 2,671 expert-validated question-answer (QA) pairs covering various aspects of computer architecture, including processor design, memory systems, and interconnection networks. Our evaluation reveals that while frontier models possess domain-specific knowledge, they struggle with skills that require higher-order thinking in computer architecture. Frontier model accuracies vary widely (from 34% to 72%) on these advanced questions, highlighting persistent gaps in architectural reasoning across analysis, design, and implementation QAs. By holistically assessing fundamental skills, QuArch provides a foundation for building and measuring LLM capabilities that can accelerate innovation in computing systems. With over 140 contributors from 40 institutions, this benchmark represents a community effort to set the standard for architectural reasoning in LLM evaluation.
📅 2025-10-24 | 💬 19 pages including appendix
Despite the significant potential of FP8 data formats for large language model (LLM) pre-training, their adoption has been limited due to challenges in maintaining stability at scale. Existing approaches often rely on suboptimal fine-grained FP8 kernels or fall back to higher-precision matrix multiplications (GEMMs) in sensitive components, such as attention projections, compromising potential throughput gains. We introduce a new class of LLM architectures that, for the first time, support FP8 computation for all GEMMs within transformer blocks during both forward and backward passes. This enables unprecedented throughput gains, particularly at scale, while matching the downstream performance of standard BF16 training. Our architecture design reduces large outlier activations, promoting stable long-term FP8 training. In addition, we identify key metrics to monitor low-precision training and predict potential future divergences.
📅 2025-10-24 | 💬 Code and dataset are available at \url{https://github.com/google-deepmind/questbench}
Large language models (LLMs) have shown impressive performance on reasoning benchmarks like math and logic. While many works have largely assumed well-defined tasks, real-world queries are often underspecified and only solvable by acquiring missing information. We formalize this information-gathering problem as a constraint satisfaction problem (CSP) with missing variable assignments. Using a special case where only one necessary variable assignment is missing, we can evaluate an LLM's ability to identify the minimal necessary question to ask. We present QuestBench, a set of underspecified reasoning tasks solvable by asking at most one question, which includes: (1) Logic-Q: logical reasoning tasks with one missing proposition, (2) Planning-Q: PDDL planning problems with partially-observed initial states, (3) GSM-Q: human-annotated grade school math problems with one unknown variable, and (4) GSME-Q: equation-based version of GSM-Q. The LLM must select the correct clarification question from multiple options. While current models excel at GSM-Q and GSME-Q, they achieve only 40-50% accuracy on Logic-Q and Planning-Q. Analysis shows that the ability to solve well-specified reasoning problems is not sufficient for success on our benchmark: models struggle to identify the right question even when they can solve the fully specified version. This highlights the need for specifically optimizing models' information acquisition capabilities.
📅 2025-10-24 | 💬 At IEEE S&P 2026
Although Rust ensures memory safety by default, it also permits the use of unsafe code, which can introduce memory safety vulnerabilities if misused. Unfortunately, existing tools for detecting memory bugs in Rust typically exhibit limited detection capabilities, inadequately handle Rust-specific types, or rely heavily on manual intervention. To address these limitations, we present deepSURF, a tool that integrates static analysis with Large Language Model (LLM)-guided fuzzing harness generation to effectively identify memory safety vulnerabilities in Rust libraries, specifically targeting unsafe code. deepSURF introduces a novel approach for handling generics by substituting them with custom types and generating tailored implementations for the required traits, enabling the fuzzer to simulate user-defined behaviors within the fuzzed library. Additionally, deepSURF employs LLMs to augment fuzzing harnesses dynamically, facilitating exploration of complex API interactions and significantly increasing the likelihood of exposing memory safety vulnerabilities. We evaluated deepSURF on 63 real-world Rust crates, successfully rediscovering 30 known memory safety bugs and uncovering 12 previously-unknown vulnerabilities (out of which 11 have been assigned RustSec IDs and 3 have been patched), demonstrating clear improvements over state-of-the-art tools.
📅 2025-10-24
Large language models (LLMs) can already identify patterns and reason effectively, yet their variable accuracy hampers adoption in high-stakes decision-making applications. In this paper, we study this issue from a venture capital perspective by predicting idea-stage startup success based on founder traits. (i) To build a reliable prediction model, we introduce LLM-AR, a pipeline inspired by neural-symbolic systems that distils LLM-generated heuristics into probabilistic rules executed by the ProbLog automated-reasoning engine. (ii) An iterative policy-evolution loop incorporates association-rule mining to progressively refine the prediction rules. On unseen folds, LLM-AR achieves 59.5% precision and 8.7% recall, 5.9x the random baseline precision, while exposing every decision path for human inspection. The framework is interpretable and tunable via hyperparameters, showing promise to extend into other domains.
📅 2025-10-24 | 💬 36 pages; accepted to NeurIPS '25 (spotlight)
Despite their many successes, transformer-based large language models (LLMs) continue to struggle with tasks that require complex reasoning over large parts of their input. We argue that these failures arise due to capacity limits on the accurate flow of information within LLMs. To formalize this issue, we introduce the bounded attention prefix oracle (BAPO) model, a new computational framework that models bandwidth constraints on attention heads, the mechanism for internal communication in LLMs. We show that several important reasoning problems like graph reachability require high communication bandwidth for BAPOs to solve; we call these problems BAPO-hard. Our experiments corroborate our theoretical predictions: GPT-4o, Claude, and Gemini succeed on BAPO-easy tasks and fail even on relatively small BAPO-hard tasks. BAPOs also reveal another benefit of chain of thought (CoT): we prove that breaking down a task using CoT can turn any BAPO-hard problem into a BAPO-easy one. Our results offer principled explanations for key LLM failures and suggest directions for architectures and inference methods that mitigate bandwidth limits.
📅 2025-10-24
Large Language Models (LLMs) are now integral across various domains and have demonstrated impressive performance. Progress, however, rests on the premise that benchmark scores are both accurate and reproducible. We demonstrate that the reproducibility of LLM performance is fragile: changing system configuration, such as evaluation batch size, GPU count, and GPU version, can introduce significant differences in the generated responses. This issue is especially pronounced in reasoning models, where minor rounding differences in early tokens can cascade into divergent chains of thought, ultimately affecting accuracy. For instance, under bfloat16 precision with greedy decoding, a reasoning model like DeepSeek-R1-Distill-Qwen-7B can exhibit up to 9% variation in accuracy and 9,000 tokens difference in response length due to differences in GPU count, type, and evaluation batch size. We trace the root cause of this variability to the non-associative nature of floating-point arithmetic under limited numerical precision. This work presents the first systematic investigation into how numerical precision affects reproducibility in LLM inference. Through carefully controlled experiments across various hardware, software, and precision settings, we quantify when and how model outputs diverge. Our analysis reveals that floating-point precision - while critical for reproducibility - is often neglected in evaluation practices. Inspired by this, we develop a lightweight inference pipeline, dubbed LayerCast, that stores weights in 16-bit precision but performs all computations in FP32, balancing memory efficiency with numerical stability. Code is available at https://github.com/nanomaoli/llm_reproducibility.
📅 2025-10-24 | 💬 16 pages,20 figures
Natural Language Recommendation (NLRec) generates item suggestions based on the relevance between user-issued NL requests and NL item description passages. Existing NLRec approaches often use Dense Retrieval (DR) to compute item relevance scores from aggregation of inner products between user request embeddings and relevant passage embeddings. However, DR views the request as the sole relevance label, thus leading to a unimodal scoring function centered on the query embedding that is often a weak proxy for query relevance. To better capture the potential multimodal distribution of the relevance scoring function that may arise from complex NLRec data, we propose GPR-LLM that uses Gaussian Process Regression (GPR) with LLM relevance judgments for a subset of candidate passages. Experiments on four NLRec datasets and two LLM backbones demonstrate that GPR-LLM with an RBF kernel, capable of modeling multimodal relevance scoring functions, consistently outperforms simpler unimodal kernels (dot product, cosine similarity), as well as baseline methods including DR, cross-encoder, and pointwise LLM-based relevance scoring by up to 65%. Overall, GPR-LLM provides an efficient and effective approach to NLRec within a minimal LLM labeling budget.