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Apr 16

Measuring Reasoning Utility in LLMs via Conditional Entropy Reduction

Recent advancements in large language models (LLMs) often rely on generating intermediate reasoning steps to enhance accuracy. However, little work has examined how reasoning utility contributes to the final answer's correctness. Due to the stochastic nature of autoregressive generation, generating more context does not guarantee increased confidence in the answer. If we could predict, during generation, whether a reasoning step will be useful, we could stop early or prune ineffective steps, avoiding distractions in the final decision. We present an oracle study on MATH dataset, using Qwen2.5-32B and GPT-4o to generate reasoning chains, and then employing a separate model (Qwen3-8B) to quantify the utility of these chains for final accuracy. Specifically, we measure the model's uncertainty on the answer span Y at each reasoning step using conditional entropy (expected negative log-likelihood over the vocabulary) with context expanding step by step. Our results show a clear pattern: conditional entropy that decreases over steps is strongly associated with correct answers, whereas flat or increasing entropy often results in wrong answers. We also corroborate that incorrect reasoning paths tend to be longer than correct ones, suggesting that longer reasoning does not necessarily yield better outcomes. These findings serve as a foundation to inspire future work on designing efficient reasoning pipelines that detect and avoid unproductive reasoning early.

  • 1 authors
·
Aug 27, 2025

Thinking to Recall: How Reasoning Unlocks Parametric Knowledge in LLMs

While reasoning in LLMs plays a natural role in math, code generation, and multi-hop factual questions, its effect on simple, single-hop factual questions remains unclear. Such questions do not require step-by-step logical decomposition, making the utility of reasoning highly counterintuitive. Nevertheless, we find that enabling reasoning substantially expands the capability boundary of the model's parametric knowledge recall, unlocking correct answers that are otherwise effectively unreachable. Why does reasoning aid parametric knowledge recall when there are no complex reasoning steps to be done? To answer this, we design a series of hypothesis-driven controlled experiments, and identify two key driving mechanisms: (1) a computational buffer effect, where the model uses the generated reasoning tokens to perform latent computation independent of their semantic content; and (2) factual priming, where generating topically related facts acts as a semantic bridge that facilitates correct answer retrieval. Importantly, this latter generative self-retrieval mechanism carries inherent risks: we demonstrate that hallucinating intermediate facts during reasoning increases the likelihood of hallucinations in the final answer. Finally, we show that our insights can be harnessed to directly improve model accuracy by prioritizing reasoning trajectories that contain hallucination-free factual statements.

google Google
·
Mar 10 4

A Survey of Reasoning and Agentic Systems in Time Series with Large Language Models

Time series reasoning treats time as a first-class axis and incorporates intermediate evidence directly into the answer. This survey defines the problem and organizes the literature by reasoning topology with three families: direct reasoning in one step, linear chain reasoning with explicit intermediates, and branch-structured reasoning that explores, revises, and aggregates. The topology is crossed with the main objectives of the field, including traditional time series analysis, explanation and understanding, causal inference and decision making, and time series generation, while a compact tag set spans these axes and captures decomposition and verification, ensembling, tool use, knowledge access, multimodality, agent loops, and LLM alignment regimes. Methods and systems are reviewed across domains, showing what each topology enables and where it breaks down in faithfulness or robustness, along with curated datasets, benchmarks, and resources that support study and deployment (https://github.com/blacksnail789521/Time-Series-Reasoning-Survey). Evaluation practices that keep evidence visible and temporally aligned are highlighted, and guidance is distilled on matching topology to uncertainty, grounding with observable artifacts, planning for shift and streaming, and treating cost and latency as design budgets. We emphasize that reasoning structures must balance capacity for grounding and self-correction against computational cost and reproducibility, while future progress will likely depend on benchmarks that tie reasoning quality to utility and on closed-loop testbeds that trade off cost and risk under shift-aware, streaming, and long-horizon settings. Taken together, these directions mark a shift from narrow accuracy toward reliability at scale, enabling systems that not only analyze but also understand, explain, and act on dynamic worlds with traceable evidence and credible outcomes.

  • 11 authors
·
Sep 15, 2025

VoiceAssistant-Eval: Benchmarking AI Assistants across Listening, Speaking, and Viewing

The growing capabilities of large language models and multimodal systems have spurred interest in voice-first AI assistants, yet existing benchmarks are inadequate for evaluating the full range of these systems' capabilities. We introduce VoiceAssistant-Eval, a comprehensive benchmark designed to assess AI assistants across listening, speaking, and viewing. VoiceAssistant-Eval comprises 10,497 curated examples spanning 13 task categories. These tasks include natural sounds, music, and spoken dialogue for listening; multi-turn dialogue, role-play imitation, and various scenarios for speaking; and highly heterogeneous images for viewing. To demonstrate its utility, we evaluate 21 open-source models and GPT-4o-Audio, measuring the quality of the response content and speech, as well as their consistency. The results reveal three key findings: (1) proprietary models do not universally outperform open-source models; (2) most models excel at speaking tasks but lag in audio understanding; and (3) well-designed smaller models can rival much larger ones. Notably, the mid-sized Step-Audio-2-mini (7B) achieves more than double the listening accuracy of LLaMA-Omni2-32B-Bilingual. However, challenges remain: multimodal (audio plus visual) input and role-play voice imitation tasks are difficult for current models, and significant gaps persist in robustness and safety alignment. VoiceAssistant-Eval identifies these gaps and establishes a rigorous framework for evaluating and guiding the development of next-generation AI assistants. Code and data will be released at https://mathllm.github.io/VoiceAssistantEval/ .

MathLLMs LLMs for Reasoning
·
Sep 26, 2025 2

Reasoning Language Models: A Blueprint

Reasoning language models (RLMs), also known as Large Reasoning Models (LRMs), such as OpenAI's o1 and o3, DeepSeek-V3, and Alibaba's QwQ, have redefined AI's problem-solving capabilities by extending large language models (LLMs) with advanced reasoning mechanisms. Yet, their high costs, proprietary nature, and complex architectures - uniquely combining Reinforcement Learning (RL), search heuristics, and LLMs - present accessibility and scalability challenges. To address these, we propose a comprehensive blueprint that organizes RLM components into a modular framework, based on a survey and analysis of all RLM works. This blueprint incorporates diverse reasoning structures (chains, trees, graphs, and nested forms), reasoning strategies (e.g., Monte Carlo Tree Search, Beam Search), RL concepts (policy, value models and others), and supervision schemes (Output-Based and Process-Based Supervision). We also provide detailed mathematical formulations and algorithmic specifications to simplify RLM implementation. By showing how schemes like LLaMA-Berry, QwQ, Journey Learning, and Graph of Thoughts fit as special cases, we demonstrate the blueprint's versatility and unifying potential. To illustrate its utility, we introduce x1, a modular implementation for rapid RLM prototyping and experimentation. Using x1 and a literature review, we provide key insights, such as multi-phase training for policy and value models, and the importance of familiar training distributions. Finally, we outline how RLMs can integrate with a broader LLM ecosystem, including tools and databases. Our work demystifies RLM construction, democratizes advanced reasoning capabilities, and fosters innovation, aiming to mitigate the gap between "rich AI" and "poor AI" by lowering barriers to RLM development and experimentation.

  • 18 authors
·
Jan 19, 2025 2

Which Reasoning Trajectories Teach Students to Reason Better? A Simple Metric of Informative Alignment

Long chain-of-thought (CoT) trajectories provide rich supervision signals for distilling reasoning from teacher to student LLMs. However, both prior work and our experiments show that trajectories from stronger teachers do not necessarily yield better students, highlighting the importance of data-student suitability in distillation. Existing methods assess suitability primarily through student likelihood, favoring trajectories that closely align with the model's current behavior but overlooking more informative ones. Addressing this, we propose Rank-Surprisal Ratio (RSR), a simple metric that captures both alignment and informativeness to assess the suitability of a reasoning trajectory. RSR is motivated by the observation that effective trajectories typically combine low absolute probability with relatively high-ranked tokens under the student model, balancing learning signal strength and behavioral alignment. Concretely, RSR is defined as the ratio of a trajectory's average token-wise rank to its average negative log-likelihood, and is straightforward to compute and interpret. Across five student models and reasoning trajectories from 11 diverse teachers, RSR strongly correlates with post-training performance (average Spearman 0.86), outperforming existing metrics. We further demonstrate its practical utility in both trajectory selection and teacher selection.

Physical Reasoning and Object Planning for Household Embodied Agents

In this study, we explore the sophisticated domain of task planning for robust household embodied agents, with a particular emphasis on the intricate task of selecting substitute objects. We introduce the CommonSense Object Affordance Task (COAT), a novel framework designed to analyze reasoning capabilities in commonsense scenarios. This approach is centered on understanding how these agents can effectively identify and utilize alternative objects when executing household tasks, thereby offering insights into the complexities of practical decision-making in real-world environments.Drawing inspiration from human decision-making, we explore how large language models tackle this challenge through three meticulously crafted commonsense question-and-answer datasets, featuring refined rules and human annotations. Our evaluation of state-of-the-art language models on these datasets sheds light on three pivotal considerations: 1) aligning an object's inherent utility with the task at hand, 2) navigating contextual dependencies (societal norms, safety, appropriateness, and efficiency), and 3) accounting for the current physical state of the object. To maintain accessibility, we introduce five abstract variables reflecting an object's physical condition, modulated by human insights to simulate diverse household scenarios. Our contributions include insightful Object-Utility mappings addressing the first consideration and two extensive QA datasets (15k and 130k questions) probing the intricacies of contextual dependencies and object states. The datasets, along with our findings, are accessible at: https://github.com/com-phy-affordance/COAT. This research not only advances our understanding of physical commonsense reasoning in language models but also paves the way for future improvements in household agent intelligence.

  • 4 authors
·
Nov 22, 2023

Reasoning Models Reason Well, Until They Don't

Large language models (LLMs) have shown significant progress in reasoning tasks. However, recent studies show that transformers and LLMs fail catastrophically once reasoning problems exceed modest complexity. We revisit these findings through the lens of large reasoning models (LRMs) -- LLMs fine-tuned with incentives for step-by-step argumentation and self-verification. LRM performance on graph and reasoning benchmarks such as NLGraph seem extraordinary, with some even claiming they are capable of generalized reasoning and innovation in reasoning-intensive fields such as mathematics, physics, medicine, and law. However, by more carefully scaling the complexity of reasoning problems, we show existing benchmarks actually have limited complexity. We develop a new dataset, the Deep Reasoning Dataset (DeepRD), along with a generative process for producing unlimited examples of scalable complexity. We use this dataset to evaluate model performance on graph connectivity and natural language proof planning. We find that the performance of LRMs drop abruptly at sufficient complexity and do not generalize. We also relate our LRM results to the distributions of the complexities of large, real-world knowledge graphs, interaction graphs, and proof datasets. We find the majority of real-world examples fall inside the LRMs' success regime, yet the long tails expose substantial failure potential. Our analysis highlights the near-term utility of LRMs while underscoring the need for new methods that generalize beyond the complexity of examples in the training distribution.

  • 5 authors
·
Oct 25, 2025 1

EmbRACE-3K: Embodied Reasoning and Action in Complex Environments

Recent advanced vision-language models(VLMs) have demonstrated strong performance on passive, offline image and video understanding tasks. However, their effectiveness in embodied settings, which require online interaction and active scene understanding remains limited. In such scenarios, an agent perceives the environment from a first-person perspective, with each action dynamically shaping subsequent observations. Even state-of-the-art models such as GPT-4o, Claude 3.5 Sonnet, and Gemini 2.5 Pro struggle in open-environment interactions, exhibiting clear limitations in spatial reasoning and long-horizon planning. To address this gap, we introduce EmRACE-3K, a dataset of over 3,000 language-guided tasks situated in diverse, photorealistic environments constructed using Unreal Engine and the UnrealCV-Zoo framework. The tasks encompass a wide range of embodied challenges, including navigation, object manipulation, and multi-stage goal execution. Each task unfolds as a multi-step trajectory, pairing first-person visual observations with high-level instructions, grounded actions, and natural language rationales that express the agent's intent at every step. Using EmRACE-3K, we establish a benchmark to evaluate the embodied reasoning capabilities of VLMs across three key dimensions: Exploration, Dynamic Spatial-Semantic Reasoning, and Multi-stage Goal Execution. In zero-shot settings, all models achieve success rates below 20%, underscoring the challenge posed by our benchmark and the current limitations of VLMs in interactive environments. To demonstrate the utility of EmRACE-3K, we further fine-tune Qwen2.5-VL-7B using supervised learning followed by reinforcement learning. This approach yields substantial improvements across all three challenge categories, highlighting the dataset's effectiveness in enabling the development of embodied reasoning capabilities.

  • 9 authors
·
Jul 14, 2025 5

UniBench: Visual Reasoning Requires Rethinking Vision-Language Beyond Scaling

Significant research efforts have been made to scale and improve vision-language model (VLM) training approaches. Yet, with an ever-growing number of benchmarks, researchers are tasked with the heavy burden of implementing each protocol, bearing a non-trivial computational cost, and making sense of how all these benchmarks translate into meaningful axes of progress. To facilitate a systematic evaluation of VLM progress, we introduce UniBench: a unified implementation of 50+ VLM benchmarks spanning a comprehensive range of carefully categorized capabilities from object recognition to spatial awareness, counting, and much more. We showcase the utility of UniBench for measuring progress by evaluating nearly 60 publicly available vision-language models, trained on scales of up to 12.8B samples. We find that while scaling training data or model size can boost many vision-language model capabilities, scaling offers little benefit for reasoning or relations. Surprisingly, we also discover today's best VLMs struggle on simple digit recognition and counting tasks, e.g. MNIST, which much simpler networks can solve. Where scale falls short, we find that more precise interventions, such as data quality or tailored-learning objectives offer more promise. For practitioners, we also offer guidance on selecting a suitable VLM for a given application. Finally, we release an easy-to-run UniBench code-base with the full set of 50+ benchmarks and comparisons across 59 models as well as a distilled, representative set of benchmarks that runs in 5 minutes on a single GPU.

  • 6 authors
·
Aug 8, 2024 2

Deep Self-Evolving Reasoning

Long-form chain-of-thought reasoning has become a cornerstone of advanced reasoning in large language models. While recent verification-refinement frameworks have enabled proprietary models to solve Olympiad-level problems, their effectiveness hinges on strong, reliable verification and correction capabilities, which remain fragile in open-weight, smaller-scale models. This work demonstrates that even with weak verification and refinement capabilities on hard tasks, the reasoning limits of such models can be substantially extended through a probabilistic paradigm we call Deep Self-Evolving Reasoning (DSER). We conceptualize iterative reasoning as a Markov chain, where each step represents a stochastic transition in the solution space. The key insight is that convergence to a correct solution is guaranteed as long as the probability of improvement marginally exceeds that of degradation. By running multiple long-horizon, self-evolving processes in parallel, DSER amplifies these small positive tendencies, enabling the model to asymptotically approach correct answers. Empirically, we apply DSER to the DeepSeek-R1-0528-Qwen3-8B model. On the challenging AIME 2024-2025 benchmark, DSER solves 5 out of 9 previously unsolvable problems and boosts overall performance, enabling this compact model to surpass the single-turn accuracy of its 600B-parameter teacher through majority voting. Beyond its immediate utility for test-time scaling, the DSER framework serves to diagnose the fundamental limitations of current open-weight reasoners. By clearly delineating their shortcomings in self-verification, refinement, and stability, our findings establish a clear research agenda for developing next-generation models with powerful, intrinsic self-evolving capabilities.

microsoft Microsoft
·
Oct 20, 2025 2

Learn to Explain: Multimodal Reasoning via Thought Chains for Science Question Answering

When answering a question, humans utilize the information available across different modalities to synthesize a consistent and complete chain of thought (CoT). This process is normally a black box in the case of deep learning models like large-scale language models. Recently, science question benchmarks have been used to diagnose the multi-hop reasoning ability and interpretability of an AI system. However, existing datasets fail to provide annotations for the answers, or are restricted to the textual-only modality, small scales, and limited domain diversity. To this end, we present Science Question Answering (ScienceQA), a new benchmark that consists of ~21k multimodal multiple choice questions with a diverse set of science topics and annotations of their answers with corresponding lectures and explanations. We further design language models to learn to generate lectures and explanations as the chain of thought (CoT) to mimic the multi-hop reasoning process when answering ScienceQA questions. ScienceQA demonstrates the utility of CoT in language models, as CoT improves the question answering performance by 1.20% in few-shot GPT-3 and 3.99% in fine-tuned UnifiedQA. We also explore the upper bound for models to leverage explanations by feeding those in the input; we observe that it improves the few-shot performance of GPT-3 by 18.96%. Our analysis further shows that language models, similar to humans, benefit from explanations to learn from fewer data and achieve the same performance with just 40% of the data. The data and code are available at https://scienceqa.github.io.

  • 9 authors
·
Sep 20, 2022

Reasoning Capacity in Multi-Agent Systems: Limitations, Challenges and Human-Centered Solutions

Remarkable performance of large language models (LLMs) in a variety of tasks brings forth many opportunities as well as challenges of utilizing them in production settings. Towards practical adoption of LLMs, multi-agent systems hold great promise to augment, integrate, and orchestrate LLMs in the larger context of enterprise platforms that use existing proprietary data and models to tackle complex real-world tasks. Despite the tremendous success of these systems, current approaches rely on narrow, single-focus objectives for optimization and evaluation, often overlooking potential constraints in real-world scenarios, including restricted budgets, resources and time. Furthermore, interpreting, analyzing, and debugging these systems requires different components to be evaluated in relation to one another. This demand is currently not feasible with existing methodologies. In this postion paper, we introduce the concept of reasoning capacity as a unifying criterion to enable integration of constraints during optimization and establish connections among different components within the system, which also enable a more holistic and comprehensive approach to evaluation. We present a formal definition of reasoning capacity and illustrate its utility in identifying limitations within each component of the system. We then argue how these limitations can be addressed with a self-reflective process wherein human-feedback is used to alleviate shortcomings in reasoning and enhance overall consistency of the system.

  • 6 authors
·
Feb 1, 2024

CoTox: Chain-of-Thought-Based Molecular Toxicity Reasoning and Prediction

Drug toxicity remains a major challenge in pharmaceutical development. Recent machine learning models have improved in silico toxicity prediction, but their reliance on annotated data and lack of interpretability limit their applicability. This limits their ability to capture organ-specific toxicities driven by complex biological mechanisms. Large language models (LLMs) offer a promising alternative through step-by-step reasoning and integration of textual data, yet prior approaches lack biological context and transparent rationale. To address this issue, we propose CoTox, a novel framework that integrates LLM with chain-of-thought (CoT) reasoning for multi-toxicity prediction. CoTox combines chemical structure data, biological pathways, and gene ontology (GO) terms to generate interpretable toxicity predictions through step-by-step reasoning. Using GPT-4o, we show that CoTox outperforms both traditional machine learning and deep learning model. We further examine its performance across various LLMs to identify where CoTox is most effective. Additionally, we find that representing chemical structures with IUPAC names, which are easier for LLMs to understand than SMILES, enhances the model's reasoning ability and improves predictive performance. To demonstrate its practical utility in drug development, we simulate the treatment of relevant cell types with drug and incorporated the resulting biological context into the CoTox framework. This approach allow CoTox to generate toxicity predictions aligned with physiological responses, as shown in case study. This result highlights the potential of LLM-based frameworks to improve interpretability and support early-stage drug safety assessment. The code and prompt used in this work are available at https://github.com/dmis-lab/CoTox.

  • 7 authors
·
Aug 5, 2025 2

General Reasoning Requires Learning to Reason from the Get-go

Large Language Models (LLMs) have demonstrated impressive real-world utility, exemplifying artificial useful intelligence (AUI). However, their ability to reason adaptively and robustly -- the hallmarks of artificial general intelligence (AGI) -- remains fragile. While LLMs seemingly succeed in commonsense reasoning, programming, and mathematics, they struggle to generalize algorithmic understanding across novel contexts. Our experiments with algorithmic tasks in esoteric programming languages reveal that LLM's reasoning overfits to the training data and is limited in its transferability. We hypothesize that the core issue underlying such limited transferability is the coupling of reasoning and knowledge in LLMs. To transition from AUI to AGI, we propose disentangling knowledge and reasoning through three key directions: (1) pretaining to reason using RL from scratch as an alternative to the widely used next-token prediction pretraining, (2) using a curriculum of synthetic tasks to ease the learning of a reasoning prior for RL that can then be transferred to natural language tasks, and (3) learning more generalizable reasoning functions using a small context window to reduce exploiting spurious correlations between tokens. Such a reasoning system coupled with a trained retrieval system and a large external memory bank as a knowledge store can overcome several limitations of existing architectures at learning to reason in novel scenarios.

  • 4 authors
·
Feb 26, 2025 2

Jailbreak Antidote: Runtime Safety-Utility Balance via Sparse Representation Adjustment in Large Language Models

As large language models (LLMs) become integral to various applications, ensuring both their safety and utility is paramount. Jailbreak attacks, which manipulate LLMs into generating harmful content, pose significant challenges to this balance. Existing defenses, such as prompt engineering and safety fine-tuning, often introduce computational overhead, increase inference latency, and lack runtime flexibility. Moreover, overly restrictive safety measures can degrade model utility by causing refusals of benign queries. In this paper, we introduce Jailbreak Antidote, a method that enables real-time adjustment of LLM safety preferences by manipulating a sparse subset of the model's internal states during inference. By shifting the model's hidden representations along a safety direction with varying strengths, we achieve flexible control over the safety-utility balance without additional token overhead or inference delays. Our analysis reveals that safety-related information in LLMs is sparsely distributed; adjusting approximately 5% of the internal state is as effective as modifying the entire state. Extensive experiments on nine LLMs (ranging from 2 billion to 72 billion parameters), evaluated against ten jailbreak attack methods and compared with six defense strategies, validate the effectiveness and efficiency of our approach. By directly manipulating internal states during reasoning, Jailbreak Antidote offers a lightweight, scalable solution that enhances LLM safety while preserving utility, opening new possibilities for real-time safety mechanisms in widely-deployed AI systems.

  • 5 authors
·
Oct 3, 2024

VURF: A General-purpose Reasoning and Self-refinement Framework for Video Understanding

Recent studies have demonstrated the effectiveness of Large Language Models (LLMs) as reasoning modules that can deconstruct complex tasks into more manageable sub-tasks, particularly when applied to visual reasoning tasks for images. In contrast, this paper introduces a Video Understanding and Reasoning Framework (VURF) based on the reasoning power of LLMs. Ours is a novel approach to extend the utility of LLMs in the context of video tasks, leveraging their capacity to generalize from minimal input and output demonstrations within a contextual framework. By presenting LLMs with pairs of instructions and their corresponding high-level programs, we harness their contextual learning capabilities to generate executable visual programs for video understanding. To enhance program's accuracy and robustness, we implement two important strategies. Firstly, we employ a feedback-generation approach, powered by GPT-3.5, to rectify errors in programs utilizing unsupported functions. Secondly, taking motivation from recent works on self refinement of LLM outputs, we introduce an iterative procedure for improving the quality of the in-context examples by aligning the initial outputs to the outputs that would have been generated had the LLM not been bound by the structure of the in-context examples. Our results on several video-specific tasks, including visual QA, video anticipation, pose estimation and multi-video QA illustrate the efficacy of these enhancements in improving the performance of visual programming approaches for video tasks. Our Codes and data will be publicly released.

  • 5 authors
·
Mar 21, 2024

Where Did This Sentence Come From? Tracing Provenance in LLM Reasoning Distillation

Reasoning distillation has attracted increasing attention. It typically leverages a large teacher model to generate reasoning paths, which are then used to fine-tune a student model so that it mimics the teacher's behavior in training contexts. However, previous approaches have lacked a detailed analysis of the origins of the distilled model's capabilities. It remains unclear whether the student can maintain consistent behaviors with the teacher in novel test-time contexts, or whether it regresses to its original output patterns, raising concerns about the generalization of distillation models. To analyse this question, we introduce a cross-model Reasoning Distillation Provenance Tracing framework. For each action (e.g., a sentence) produced by the distilled model, we obtain the predictive probabilities assigned by the teacher, the original student, and the distilled model under the same context. By comparing these probabilities, we classify each action into different categories. By systematically disentangling the provenance of each action, we experimentally demonstrate that, in test-time contexts, the distilled model can indeed generate teacher-originated actions, which correlate with and plausibly explain observed performance on distilled model. Building on this analysis, we further propose a teacher-guided data selection method. Unlike prior approach that rely on heuristics, our method directly compares teacher-student divergences on the training data, providing a principled selection criterion. We validate the effectiveness of our approach across multiple representative teacher models and diverse student models. The results highlight the utility of our provenance-tracing framework and underscore its promise for reasoning distillation. We hope to share Reasoning Distillation Provenance Tracing and our insights into reasoning distillation with the community.

  • 7 authors
·
Dec 23, 2025

Thought Manipulation: External Thought Can Be Efficient for Large Reasoning Models

Recent advancements in large reasoning models (LRMs) have demonstrated the effectiveness of scaling test-time computation to enhance reasoning capabilities in multiple tasks. However, LRMs typically suffer from "overthinking" problems, where models generate significantly redundant reasoning steps while bringing limited performance gains. Existing work relies on fine-tuning to mitigate overthinking, which requires additional data, unconventional training setups, risky safety misalignment, and poor generalization. Through empirical analysis, we reveal an important characteristic of LRM behaviors that placing external CoTs generated by smaller models between the thinking token (<think> and </think>) can effectively manipulate the model to generate fewer thoughts. Building on these insights, we propose a simple yet efficient pipeline, ThoughtMani, to enable LRMs to bypass unnecessary intermediate steps and reduce computational costs significantly. We conduct extensive experiments to validate the utility and efficiency of ThoughtMani. For instance, when applied to QwQ-32B on the LiveBench/Code dataset, ThoughtMani keeps the original performance and reduces output token counts by approximately 30%, with little overhead from the CoT generator. Furthermore, we find that ThoughtMani enhances safety alignment by an average of 10%. Since model vendors typically serve models of different sizes simultaneously, ThoughtMani provides an effective way to construct more efficient and accessible LRMs for real-world applications.

  • 9 authors
·
Apr 18, 2025 2

Reasoning-Enhanced Large Language Models for Molecular Property Prediction

Molecular property prediction is crucial for drug discovery and materials science, yet existing approaches suffer from limited interpretability, poor cross-task generalization, and lack of chemical reasoning capabilities. Traditional machine learning models struggle with task transferability, while specialized molecular language models provide little insight into their decision-making processes. To address these limitations, we propose MPPReasoner, a multimodal large language model that incorporates chemical reasoning for molecular property prediction. Our approach, built upon Qwen2.5-VL-7B-Instruct, integrates molecular images with SMILES strings to enable comprehensive molecular understanding. We develop a two-stage training strategy: supervised fine-tuning (SFT) using 16,000 high-quality reasoning trajectories generated through expert knowledge and multiple teacher models, followed by Reinforcement Learning from Principle-Guided Rewards (RLPGR). RLPGR employs verifiable, rule-based rewards that systematically evaluate chemical principle application, molecular structure analysis, and logical consistency through computational verification. Extensive experiments across 8 datasets demonstrate significant performance improvements, with MPPReasoner outperforming the best baselines by 7.91\% and 4.53\% on in-distribution and out-of-distribution tasks respectively. MPPReasoner exhibits exceptional cross-task generalization and generates chemically sound reasoning paths that provide valuable insights into molecular property analysis, substantially enhancing both interpretability and practical utility for chemists. Code is available at https://anonymous.4open.science/r/MPPReasoner-12687.

  • 12 authors
·
Oct 11, 2025

DiffAdapt: Difficulty-Adaptive Reasoning for Token-Efficient LLM Inference

Recent reasoning Large Language Models (LLMs) demonstrate remarkable problem-solving abilities but often generate long thinking traces whose utility is unclear. Our work aims to improve their efficiency, enabling them to reach high performance without overthinking. First, we analyze the entropy of token probabilities in reasoning traces. Across three models, we observe a consistent U-shaped entropy pattern: high entropy on easy problems despite high accuracy, low entropy on problems with medium difficulty, and high entropy on hard problems reflecting uncertainty. Specifically, we notice 22--25\% entropy reduction from easy to medium difficulty regions, suggesting an {overthinking} phenomenon on easy instances. Building on these insights, we introduce DiffAdapt, a lightweight framework that selects Easy/Normal/Hard inference strategies per question based on their difficulty and reasoning trace entropy. Each inference strategy consists of a fixed prompt, temperature and maximum token length. In contrast to existing efficiency optimization methods, our approach does not fine-tune base LLM but a small probe that classifies LLM's final hidden state, allowing inexpensive adaptation. We comprehensively evaluate our method on five models and eight benchmarks. Our method achieves comparable or improved accuracy while reducing token usage by up to 22.4\%, establishing a practical path toward compute-efficient reasoning.

  • 4 authors
·
Oct 22, 2025

A Reasoning-Enabled Vision-Language Foundation Model for Chest X-ray Interpretation

Chest X-rays (CXRs) are among the most frequently performed imaging examinations worldwide, yet rising imaging volumes increase radiologist workload and the risk of diagnostic errors. Although artificial intelligence (AI) systems have shown promise for CXR interpretation, most generate only final predictions, without making explicit how visual evidence is translated into radiographic findings and diagnostic predictions. We present CheXOne, a reasoning-enabled vision-language model for CXR interpretation. CheXOne jointly generates diagnostic predictions and explicit, clinically grounded reasoning traces that connect visual evidence, radiographic findings, and these predictions. The model is trained on 14.7 million instruction and reasoning samples curated from 30 public datasets spanning 36 CXR interpretation tasks, using a two-stage framework that combines instruction tuning with reinforcement learning to improve reasoning quality. We evaluate CheXOne in zero-shot settings across visual question answering, report generation, visual grounding and reasoning assessment, covering 17 evaluation settings. CheXOne outperforms existing medical and general-domain foundation models and achieves strong performance on independent public benchmarks. A clinical reader study demonstrates that CheXOne-drafted reports are comparable to or better than resident-written reports in 55% of cases, while effectively addressing clinical indications and enhancing both report writing and CXR interpretation efficiency. Further analyses involving radiologists reveal that the generated reasoning traces show high clinical factuality and provide causal support for the final predictions, offering a plausible explanation for the performance gains. These results suggest that explicit reasoning can improve model performance, interpretability and clinical utility in AI-assisted CXR interpretation.

  • 22 authors
·
Apr 1

Skin-R1: Toward Trustworthy Clinical Reasoning for Dermatological Diagnosis

The emergence of vision-language models (VLMs) has opened new possibilities for clinical reasoning and has shown promising performance in dermatological diagnosis. However, their trustworthiness and clinical utility are often limited by three major factors: (1) Data heterogeneity, where diverse datasets lack consistent diagnostic labels and clinical concept annotations; (2) Absence of grounded diagnostic rationales, leading to a scarcity of reliable reasoning supervision; and (3) Limited scalability and generalization, as models trained on small, densely annotated datasets struggle to transfer nuanced reasoning to large, sparsely-annotated ones. To address these limitations, we propose SkinR1, a novel dermatological VLM that combines deep, textbook-based reasoning with the broad generalization capabilities of reinforcement learning (RL). SkinR1 systematically resolves the key challenges through a unified, end-to-end framework. First, we design a textbook-based reasoning generator that synthesizes high-fidelity, hierarchy-aware, and differential-diagnosis (DDx)-informed trajectories, providing reliable expert-level supervision. Second, we leverage the constructed trajectories for supervised fine-tuning (SFT) empowering the model with grounded reasoning ability. Third, we develop a novel RL paradigm that, by incorporating the hierarchical structure of diseases, effectively transfers these grounded reasoning patterns to large-scale, sparse data. Extensive experiments on multiple dermatology datasets demonstrate that SkinR1 achieves superior diagnostic accuracy. The ablation study demonstrates the importance of the reasoning foundation instilled by SFT.

  • 7 authors
·
Nov 18, 2025 1

Controllable Reasoning Models Are Private Thinkers

AI agents powered by reasoning models require access to sensitive user data. However, their reasoning traces are difficult to control, which can result in the unintended leakage of private information to external parties. We propose training models to follow instructions not only in the final answer, but also in reasoning traces, potentially under different constraints. We hypothesize that improving their instruction following abilities in the reasoning traces can improve their privacy-preservation skills. To demonstrate this, we fine-tune models on a new instruction-following dataset with explicit restrictions on reasoning traces. We further introduce a generation strategy that decouples reasoning and answer generation using separate LoRA adapters. We evaluate our approach on six models from two model families, ranging from 1.7B to 14B parameters, across two instruction-following benchmarks and two privacy benchmarks. Our method yields substantial improvements, achieving gains of up to 20.9 points in instruction-following performance and up to 51.9 percentage points on privacy benchmarks. These improvements, however, can come at the cost of task utility, due to the trade-off between reasoning performance and instruction-following abilities. Overall, our results show that improving instruction-following behavior in reasoning models can significantly enhance privacy, suggesting a promising direction for the development of future privacy-aware agents. Our code and data are available at https://github.com/UKPLab/arxiv2026-controllable-reasoning-models

  • 5 authors
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Feb 27

AdaReasoner: Dynamic Tool Orchestration for Iterative Visual Reasoning

When humans face problems beyond their immediate capabilities, they rely on tools, providing a promising paradigm for improving visual reasoning in multimodal large language models (MLLMs). Effective reasoning, therefore, hinges on knowing which tools to use, when to invoke them, and how to compose them over multiple steps, even when faced with new tools or new tasks. We introduce AdaReasoner, a family of multimodal models that learn tool use as a general reasoning skill rather than as tool-specific or explicitly supervised behavior. AdaReasoner is enabled by (i) a scalable data curation pipeline exposing models to long-horizon, multi-step tool interactions; (ii) Tool-GRPO, a reinforcement learning algorithm that optimizes tool selection and sequencing based on end-task success; and (iii) an adaptive learning mechanism that dynamically regulates tool usage. Together, these components allow models to infer tool utility from task context and intermediate outcomes, enabling coordination of multiple tools and generalization to unseen tools. Empirically, AdaReasoner exhibits strong tool-adaptive and generalization behaviors: it autonomously adopts beneficial tools, suppresses irrelevant ones, and adjusts tool usage frequency based on task demands, despite never being explicitly trained to do so. These capabilities translate into state-of-the-art performance across challenging benchmarks, improving the 7B base model by +24.9\% on average and surpassing strong proprietary systems such as GPT-5 on multiple tasks, including VSP and Jigsaw.

DeepSketcher: Internalizing Visual Manipulation for Multimodal Reasoning

The "thinking with images" paradigm represents a pivotal shift in the reasoning of Vision Language Models (VLMs), moving from text-dominant chain-of-thought to image-interactive reasoning. By invoking visual tools or generating intermediate visual representations, VLMs can iteratively attend to fine-grained regions, enabling deeper image understanding and more faithful multimodal reasoning. As an emerging paradigm, however, it still leaves substantial room for exploration in data construction accuracy, structural design, and broader application scenarios, which offer rich opportunities for advancing multimodal reasoning. To further advance this line of work, we present DeepSketcher, a comprehensive suite comprising both an image-text interleaved dataset and a self-contained model. The dataset contains 31k chain-of-thought (CoT) reasoning trajectories with diverse tool calls and resulting edited images, covering a wide range of data types and manipulation instructions with high annotation accuracy. Building on this resource, we design a model that performs interleaved image-text reasoning and natively generates "visual thoughts" by operating directly in the visual embedding space, rather than invoking external tools and repeatedly re-encoding generated images. This design enables tool-free and more flexible "thinking with images". Extensive experiments on multimodal reasoning benchmarks demonstrate strong performance, validating both the utility of the dataset and the effectiveness of the model design.

  • 6 authors
·
Sep 30, 2025

LLM-Specific Utility: A New Perspective for Retrieval-Augmented Generation

Retrieval-augmented generation (RAG) is typically optimized for topical relevance, yet its success ultimately depends on whether retrieved passages are useful for a large language model (LLM) to generate correct and complete answers. We argue that such utility is often LLM-specific rather than universal, due to differences in models' knowledge, reasoning, and ability to leverage evidence. We formalize LLM-specific utility as the performance improvement of a target LLM when a passage is provided, compared to answering without evidence. To systematically study LLM-specific utility, we construct a benchmark of LLM-specific gold utilitarian passages for four LLMs (Qwen3-8B/14B/32B and Llama3.1-8B) on three QA datasets (Natural Questions, TriviaQA, and MS MARCO-FQA). Our analysis shows that utilitarian passages are model-dependent and non-transferable: each LLM performs best with its own utilitarian evidence, while evidence optimized for other LLMs is consistently suboptimal. Human-annotated evidence remains a strong general baseline but does not fully match individual LLM utility needs. We further introduce the LLM-specific utility judgment task and find that existing utility-aware selection and scoring methods largely capture model-agnostic usefulness and struggle to reliably estimate LLM-specific utility. Overall, our findings highlight the limitations of current utility-aware retrieval and motivate generator-tailored evidence selection for improving RAG.

  • 7 authors
·
Oct 13, 2025

H-CoT: Hijacking the Chain-of-Thought Safety Reasoning Mechanism to Jailbreak Large Reasoning Models, Including OpenAI o1/o3, DeepSeek-R1, and Gemini 2.0 Flash Thinking

Large Reasoning Models (LRMs) have recently extended their powerful reasoning capabilities to safety checks-using chain-of-thought reasoning to decide whether a request should be answered. While this new approach offers a promising route for balancing model utility and safety, its robustness remains underexplored. To address this gap, we introduce Malicious-Educator, a benchmark that disguises extremely dangerous or malicious requests beneath seemingly legitimate educational prompts. Our experiments reveal severe security flaws in popular commercial-grade LRMs, including OpenAI o1/o3, DeepSeek-R1, and Gemini 2.0 Flash Thinking. For instance, although OpenAI's o1 model initially maintains a high refusal rate of about 98%, subsequent model updates significantly compromise its safety; and attackers can easily extract criminal strategies from DeepSeek-R1 and Gemini 2.0 Flash Thinking without any additional tricks. To further highlight these vulnerabilities, we propose Hijacking Chain-of-Thought (H-CoT), a universal and transferable attack method that leverages the model's own displayed intermediate reasoning to jailbreak its safety reasoning mechanism. Under H-CoT, refusal rates sharply decline-dropping from 98% to below 2%-and, in some instances, even transform initially cautious tones into ones that are willing to provide harmful content. We hope these findings underscore the urgent need for more robust safety mechanisms to preserve the benefits of advanced reasoning capabilities without compromising ethical standards.

  • 9 authors
·
Feb 18, 2025

ADORA: Training Reasoning Models with Dynamic Advantage Estimation on Reinforcement Learning

Reinforcement learning has become a cornerstone technique for developing reasoning models in complex tasks, ranging from mathematical problem-solving to imaginary reasoning. The optimization of these models typically relies on policy gradient methods, whose efficacy hinges on the accurate estimation of an advantage function. However, prevailing methods typically employ static advantage estimation, a practice that leads to inefficient credit assignment by neglecting the dynamic utility of training samples over time. This limitation results in suboptimal policy updates, which in turn manifest as slower convergence rates and increased learning instability, as models fail to adapt to evolving sample utilities effectively. To address this problem, we introduce ADORA (Advantage Dynamics via Online Rollout Adaptation), a novel framework for policy optimization. ADORA dynamically adjusts the advantage function's weighting by adaptively categorizing training data into temporarily advantageous and disadvantageous samples, based on their evolving utility during online model rollouts. This tailored data differentiation strategy allows ADORA to be seamlessly integrated into existing policy optimization algorithms without significant architectural modifications, enabling the policy to prioritize learning from more informative experiences and thereby achieve more efficient policy updates. Extensive evaluations across diverse model families and varying data scales demonstrate that ADORA is a robust and efficient framework. It significantly enhances long reasoning in both geometric and mathematical tasks, consistently achieving notable performance gains without requiring sensitive hyperparameter tuning.

  • 7 authors
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Feb 10

Efficient Reasoning for Large Reasoning Language Models via Certainty-Guided Reflection Suppression

Recent Large Reasoning Language Models (LRLMs) employ long chain-of-thought reasoning with complex reflection behaviors, typically signaled by specific trigger words (e.g., "Wait" and "Alternatively") to enhance performance. However, these reflection behaviors can lead to the overthinking problem where the generation of redundant reasoning steps that unnecessarily increase token usage, raise inference costs, and reduce practical utility. In this paper, we propose Certainty-Guided Reflection Suppression (CGRS), a novel method that mitigates overthinking in LRLMs while maintaining reasoning accuracy. CGRS operates by dynamically suppressing the model's generation of reflection triggers when it exhibits high confidence in its current response, thereby preventing redundant reflection cycles without compromising output quality. Our approach is model-agnostic, requires no retraining or architectural modifications, and can be integrated seamlessly with existing autoregressive generation pipelines. Extensive experiments across four reasoning benchmarks (i.e., AIME24, AMC23, MATH500, and GPQA-D) demonstrate CGRS's effectiveness: it reduces token usage by an average of 18.5% to 41.9% while preserving accuracy. It also achieves the optimal balance between length reduction and performance compared to state-of-the-art baselines. These results hold consistently across model architectures (e.g., DeepSeek-R1-Distill series, QwQ-32B, and Qwen3 family) and scales (4B to 32B parameters), highlighting CGRS's practical value for efficient reasoning.

  • 6 authors
·
Aug 7, 2025

Towards Safety Reasoning in LLMs: AI-agentic Deliberation for Policy-embedded CoT Data Creation

Safety reasoning is a recent paradigm where LLMs reason over safety policies before generating responses, thereby mitigating limitations in existing safety measures such as over-refusal and jailbreak vulnerabilities. However, implementing this paradigm is challenging due to the resource-intensive process of creating high-quality policy-embedded chain-of-thought (CoT) datasets while ensuring reasoning remains accurate and free from hallucinations or policy conflicts. To tackle this, we propose AIDSAFE: Agentic Iterative Deliberation for Safety Reasoning, a novel data generation recipe that leverages multi-agent deliberation to iteratively expand reasoning on safety policies. A data refiner stage in AIDSAFE ensures high-quality outputs by eliminating repetitive, redundant, and deceptive thoughts. AIDSAFE-generated CoTs provide a strong foundation for supervised fine-tuning (SFT)-based safety training. Additionally, to address the need of preference data in alignment stages, such as DPO training, we introduce a supplemental recipe that uses belief augmentation to create distinct selected and rejected CoT samples. Our evaluations demonstrate that AIDSAFE-generated CoTs achieve superior policy adherence and reasoning quality. Consequently, we show that fine-tuning open-source LLMs on these CoTs can significantly improve safety generalization and jailbreak robustness while maintaining acceptable utility and over-refusal accuracy. AIDSAFE-generated CoT datasets can be found here: https://huggingface.co/datasets/AmazonScience/AIDSAFE

  • 9 authors
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May 27, 2025 2

HarmonyGuard: Toward Safety and Utility in Web Agents via Adaptive Policy Enhancement and Dual-Objective Optimization

Large language models enable agents to autonomously perform tasks in open web environments. However, as hidden threats within the web evolve, web agents face the challenge of balancing task performance with emerging risks during long-sequence operations. Although this challenge is critical, current research remains limited to single-objective optimization or single-turn scenarios, lacking the capability for collaborative optimization of both safety and utility in web environments. To address this gap, we propose HarmonyGuard, a multi-agent collaborative framework that leverages policy enhancement and objective optimization to jointly improve both utility and safety. HarmonyGuard features a multi-agent architecture characterized by two fundamental capabilities: (1) Adaptive Policy Enhancement: We introduce the Policy Agent within HarmonyGuard, which automatically extracts and maintains structured security policies from unstructured external documents, while continuously updating policies in response to evolving threats. (2) Dual-Objective Optimization: Based on the dual objectives of safety and utility, the Utility Agent integrated within HarmonyGuard performs the Markovian real-time reasoning to evaluate the objectives and utilizes metacognitive capabilities for their optimization. Extensive evaluations on multiple benchmarks show that HarmonyGuard improves policy compliance by up to 38% and task completion by up to 20% over existing baselines, while achieving over 90% policy compliance across all tasks. Our project is available here: https://github.com/YurunChen/HarmonyGuard.

  • 7 authors
·
Aug 5, 2025 2

Balancing Faithfulness and Performance in Reasoning via Multi-Listener Soft Execution

Chain-of-thought (CoT) reasoning sometimes fails to faithfully reflect the true computation of a large language model (LLM), hampering its utility in explaining how LLMs arrive at their answers. Moreover, optimizing for faithfulness and interpretability in reasoning often degrades task performance. To address this tradeoff and improve CoT faithfulness, we propose Reasoning Execution by Multiple Listeners (REMUL), a multi-party reinforcement learning approach. REMUL builds on the hypothesis that reasoning traces which other parties can follow will be more faithful. A speaker model generates a reasoning trace, which is truncated and passed to a pool of listener models who "execute" the trace, continuing the trace to an answer. Speakers are rewarded for producing reasoning that is clear to listeners, with additional correctness regularization via masked supervised finetuning to counter the tradeoff between faithfulness and performance. On multiple reasoning benchmarks (BIG-Bench Extra Hard, MuSR, ZebraLogicBench, and FOLIO), REMUL consistently and substantially improves three measures of faithfulness -- hint attribution, early answering area over the curve (AOC), and mistake injection AOC -- while also improving accuracy. Our analysis finds that these gains are robust across training domains, translate to legibility gains, and are associated with shorter and more direct CoTs.

  • 7 authors
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Feb 17

ForgeryVCR: Visual-Centric Reasoning via Efficient Forensic Tools in MLLMs for Image Forgery Detection and Localization

Existing Multimodal Large Language Models (MLLMs) for image forgery detection and localization predominantly operate under a text-centric Chain-of-Thought (CoT) paradigm. However, forcing these models to textually characterize imperceptible low-level tampering traces inevitably leads to hallucinations, as linguistic modalities are insufficient to capture such fine-grained pixel-level inconsistencies. To overcome this, we propose ForgeryVCR, a framework that incorporates a forensic toolbox to materialize imperceptible traces into explicit visual intermediates via Visual-Centric Reasoning. To enable efficient tool utilization, we introduce a Strategic Tool Learning post-training paradigm, encompassing gain-driven trajectory construction for Supervised Fine-Tuning (SFT) and subsequent Reinforcement Learning (RL) optimization guided by a tool utility reward. This paradigm empowers the MLLM to act as a proactive decision-maker, learning to spontaneously invoke multi-view reasoning paths including local zoom-in for fine-grained inspection and the analysis of invisible inconsistencies in compression history, noise residuals, and frequency domains. Extensive experiments reveal that ForgeryVCR achieves state-of-the-art (SOTA) performance in both detection and localization tasks, demonstrating superior generalization and robustness with minimal tool redundancy. The project page is available at https://youqiwong.github.io/projects/ForgeryVCR/.

  • 9 authors
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Feb 15

GROKE: Vision-Free Navigation Instruction Evaluation via Graph Reasoning on OpenStreetMap

The evaluation of navigation instructions remains a persistent challenge in Vision-and-Language Navigation (VLN) research. Traditional reference-based metrics such as BLEU and ROUGE fail to capture the functional utility of spatial directives, specifically whether an instruction successfully guides a navigator to the intended destination. Although existing VLN agents could serve as evaluators, their reliance on high-fidelity visual simulators introduces licensing constraints and computational costs, and perception errors further confound linguistic quality assessment. This paper introduces GROKE(Graph-based Reasoning over OSM Knowledge for instruction Evaluation), a vision-free training-free hierarchical LLM-based framework for evaluating navigation instructions using OpenStreetMap data. Through systematic ablation studies, we demonstrate that structured JSON and textual formats for spatial information substantially outperform grid-based and visual graph representations. Our hierarchical architecture combines sub-instruction planning with topological graph navigation, reducing navigation error by 68.5% compared to heuristic and sampling baselines on the Map2Seq dataset. The agent's execution success, trajectory fidelity, and decision patterns serve as proxy metrics for functional navigability given OSM-visible landmarks and topology, establishing a scalable and interpretable evaluation paradigm without visual dependencies. Code and data are available at https://anonymous.4open.science/r/groke.

  • 4 authors
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Jan 12

RL on Incorrect Synthetic Data Scales the Efficiency of LLM Math Reasoning by Eight-Fold

Training on model-generated synthetic data is a promising approach for finetuning LLMs, but it remains unclear when it helps or hurts. In this paper, we investigate this question for math reasoning via an empirical study, followed by building a conceptual understanding of our observations. First, we find that while the typical approach of finetuning a model on synthetic correct or positive problem-solution pairs generated by capable models offers modest performance gains, sampling more correct solutions from the finetuned learner itself followed by subsequent fine-tuning on this self-generated data doubles the efficiency of the same synthetic problems. At the same time, training on model-generated positives can amplify various spurious correlations, resulting in flat or even inverse scaling trends as the amount of data increases. Surprisingly, we find that several of these issues can be addressed if we also utilize negative responses, i.e., model-generated responses that are deemed incorrect by a final answer verifier. Crucially, these negatives must be constructed such that the training can appropriately recover the utility or advantage of each intermediate step in the negative response. With this per-step scheme, we are able to attain consistent gains over only positive data, attaining performance similar to amplifying the amount of synthetic data by 8 times. We show that training on per-step negatives can help to unlearn spurious correlations in the positive data, and is equivalent to advantage-weighted reinforcement learning (RL), implying that it inherits robustness benefits of RL over imitating positive data alone.

  • 6 authors
·
Jun 20, 2024

Unleashing Scientific Reasoning for Bio-experimental Protocol Generation via Structured Component-based Reward Mechanism

The foundation of reproducible science lies in protocols that are precise, logically ordered, and executable. The autonomous generation of these protocols through natural language queries could greatly improve the efficiency of the reproduction process. However, current leading large language models (LLMs) often generate incomplete or inconsistent protocols, limiting their utility. To address this limitation, we first introduce SciRecipe, a large-scale dataset of over 12K structured protocols spanning 27 biological subfields and encompassing both comprehension and problem-solving tasks. To further improve protocol generation, we propose the "Sketch-and-Fill" paradigm, which separates analysis, structuring, and expression to ensure each step is explicit and verifiable. Complementing this, the structured component-based reward mechanism evaluates step granularity, action order, and semantic fidelity, aligning model optimization with experimental reliability. Building on these components, we develop Thoth, trained through a staged Knowledge-to-Action process that progresses from knowledge acquisition to operational reasoning and ultimately to robust, executable protocol generation. Across multiple benchmarks, Thoth consistently surpasses both proprietary and open-source LLMs, achieving significant improvements in step alignment, logical sequencing, and semantic accuracy. Our approach paves the way for reliable scientific assistants that bridge knowledge with experimental execution. All data, code, and models will be released publicly.

  • 11 authors
·
Oct 17, 2025 2

Multi-step retrieval and reasoning improves radiology question answering with large language models

Clinical decision-making in radiology increasingly benefits from artificial intelligence (AI), particularly through large language models (LLMs). However, traditional retrieval-augmented generation (RAG) systems for radiology question answering (QA) typically rely on single-step retrieval, limiting their ability to handle complex clinical reasoning tasks. Here we propose radiology Retrieval and Reasoning (RaR), a multi-step retrieval and reasoning framework designed to improve diagnostic accuracy, factual consistency, and clinical reliability of LLMs in radiology question answering. We evaluated 25 LLMs spanning diverse architectures, parameter scales (0.5B to >670B), and training paradigms (general-purpose, reasoning-optimized, clinically fine-tuned), using 104 expert-curated radiology questions from previously established RSNA-RadioQA and ExtendedQA datasets. To assess generalizability, we additionally tested on an unseen internal dataset of 65 real-world radiology board examination questions. RaR significantly improved mean diagnostic accuracy over zero-shot prompting and conventional online RAG. The greatest gains occurred in small-scale models, while very large models (>200B parameters) demonstrated minimal changes (<2% improvement). Additionally, RaR retrieval reduced hallucinations (mean 9.4%) and retrieved clinically relevant context in 46% of cases, substantially aiding factual grounding. Even clinically fine-tuned models showed gains from RaR (e.g., MedGemma-27B), indicating that retrieval remains beneficial despite embedded domain knowledge. These results highlight the potential of RaR to enhance factuality and diagnostic accuracy in radiology QA, warranting future studies to validate their clinical utility. All datasets, code, and the full RaR framework are publicly available to support open research and clinical translation.

  • 12 authors
·
Aug 1, 2025

Scientific Image Synthesis: Benchmarking, Methodologies, and Downstream Utility

While synthetic data has proven effective for improving scientific reasoning in the text domain, multimodal reasoning remains constrained by the difficulty of synthesizing scientifically rigorous images. Existing Text-to-Image (T2I) models often produce outputs that are visually plausible yet scientifically incorrect, resulting in a persistent visual-logic divergence that limits their value for downstream reasoning. Motivated by recent advances in next-generation T2I models, we conduct a systematic study of scientific image synthesis across generation paradigms, evaluation, and downstream use. We analyze both direct pixel-based generation and programmatic synthesis, and propose ImgCoder, a logic-driven framework that follows an explicit "understand - plan - code" workflow to improve structural precision. To rigorously assess scientific correctness, we introduce SciGenBench, which evaluates generated images based on information utility and logical validity. Our evaluation reveals systematic failure modes in pixel-based models and highlights a fundamental expressiveness-precision trade-off. Finally, we show that fine-tuning Large Multimodal Models (LMMs) on rigorously verified synthetic scientific images yields consistent reasoning gains, with potential scaling trends analogous to the text domain, validating high-fidelity scientific synthesis as a viable path to unlocking massive multimodal reasoning capabilities.

ReIn: Conversational Error Recovery with Reasoning Inception

Conversational agents powered by large language models (LLMs) with tool integration achieve strong performance on fixed task-oriented dialogue datasets but remain vulnerable to unanticipated, user-induced errors. Rather than focusing on error prevention, this work focuses on error recovery, which necessitates the accurate diagnosis of erroneous dialogue contexts and execution of proper recovery plans. Under realistic constraints precluding model fine-tuning or prompt modification due to significant cost and time requirements, we explore whether agents can recover from contextually flawed interactions and how their behavior can be adapted without altering model parameters and prompts. To this end, we propose Reasoning Inception (ReIn), a test-time intervention method that plants an initial reasoning into the agent's decision-making process. Specifically, an external inception module identifies predefined errors within the dialogue context and generates recovery plans, which are subsequently integrated into the agent's internal reasoning process to guide corrective actions, without modifying its parameters or system prompts. We evaluate ReIn by systematically simulating conversational failure scenarios that directly hinder successful completion of user goals: user's ambiguous and unsupported requests. Across diverse combinations of agent models and inception modules, ReIn substantially improves task success and generalizes to unseen error types. Moreover, it consistently outperforms explicit prompt-modification approaches, underscoring its utility as an efficient, on-the-fly method. In-depth analysis of its operational mechanism, particularly in relation to instruction hierarchy, indicates that jointly defining recovery tools with ReIn can serve as a safe and effective strategy for improving the resilience of conversational agents without modifying the backbone models or system prompts.

Beyond Natural Language: LLMs Leveraging Alternative Formats for Enhanced Reasoning and Communication

Natural language (NL) has long been the predominant format for human cognition and communication, and by extension, has been similarly pivotal in the development and application of Large Language Models (LLMs). Yet, besides NL, LLMs have seen various non-NL formats during pre-training, such as code and logical expression. NL's status as the optimal format for LLMs, particularly in single-LLM reasoning and multi-agent communication, has not been thoroughly examined. In this work, we challenge the default use of NL by exploring the utility of non-NL formats in these contexts. We show that allowing LLMs to autonomously select the most suitable format before reasoning or communicating leads to a 3.3 to 5.7\% improvement in reasoning efficiency for different LLMs, and up to a 72.7\% reduction in token usage in multi-agent communication, all while maintaining communicative effectiveness. Our comprehensive analysis further reveals that LLMs can devise a format from limited task instructions and that the devised format is effectively transferable across different LLMs. Intriguingly, the structured communication format decided by LLMs exhibits notable parallels with established agent communication languages, suggesting a natural evolution towards efficient, structured communication in agent communication. Our code is released at https://github.com/thunlp/AutoForm.

  • 9 authors
·
Feb 28, 2024

SCOUT: Toward Sub-Quadratic Attention via Segment Compression for Optimized Utility in Transformers

Transformers have demonstrated strong performance across a wide range of sequence modeling tasks, but their quadratic attention complexity limits scalability to long sequences. Linear models such as Mamba and sliding-window attention (SWA) address this by mixing tokens through recurrent or localized operations with fixed-size memory, achieving efficient inference. However, these methods risk degrading performance on long sequences due to their inability to retain detailed information from distant tokens. We propose SCOUT (Segment Compression for Optimized Utility in Transformers), a hybrid architecture that compresses tokens locally within fixed-size segments and applies attention only over these compressed representations. Each token embedding is first enriched via a linear local mixer, Mamba or SWA, that integrates recent context. Then, instead of attending to all previous tokens, each token sparsely attends to a small number of compressed checkpoint tokens that summarize the input history. This design retains much of the expressivity of full attention while substantially reducing the computational and memory cost. By attending to compressed history rather than all previous tokens, SCOUT incurs slightly higher memory than purely linear models, but its growth rate remains sub-quadratic and far more scalable than that of full Transformers. We analyze SCOUT's computational and memory efficiency and evaluate it empirically on long-context language modeling and reasoning tasks. SCOUT with both Mamba and SWA mixers outperforms strong long-sequence baselines under the same computational budget, matches full-attention Transformers on language modeling and common-sense reasoning tasks at 400M and 1.3B scales. Moreover, our SCOUT achieves higher end-to-end throughput than SOTA models, while delivering comparable results on long sequence benchmarks.

  • 6 authors
·
Aug 31, 2025

PRISM: Robust VLM Alignment with Principled Reasoning for Integrated Safety in Multimodality

Safeguarding vision-language models (VLMs) is a critical challenge, as existing methods often suffer from over-defense, which harms utility, or rely on shallow alignment, failing to detect complex threats that require deep reasoning. To this end, we introduce PRISM (Principled Reasoning for Integrated Safety in Multimodality), a system2-like framework that aligns VLMs by embedding a structured, safety-aware reasoning process. Our framework consists of two key components: PRISM-CoT, a dataset that teaches safety-aware chain-of-thought reasoning, and PRISM-DPO, generated via Monte Carlo Tree Search (MCTS) to further refine this reasoning through Direct Preference Optimization to help obtain a delicate safety boundary. Comprehensive evaluations demonstrate PRISM's effectiveness, achieving remarkably low attack success rates including 0.15% on JailbreakV-28K for Qwen2-VL and 90% improvement over the previous best method on VLBreak for LLaVA-1.5. PRISM also exhibits strong robustness against adaptive attacks, significantly increasing computational costs for adversaries, and generalizes effectively to out-of-distribution challenges, reducing attack success rates to just 8.70% on the challenging multi-image MIS benchmark. Remarkably, this robust defense is achieved while preserving, and in some cases enhancing, model utility. To promote reproducibility, we have made our code, data, and model weights available at https://github.com/SaFoLab-WISC/PRISM.

  • 3 authors
·
Aug 25, 2025

SpecReason: Fast and Accurate Inference-Time Compute via Speculative Reasoning

Recent advances in inference-time compute have significantly improved performance on complex tasks by generating long chains of thought (CoTs) using Large Reasoning Models (LRMs). However, this improved accuracy comes at the cost of high inference latency due to the length of generated reasoning sequences and the autoregressive nature of decoding. Our key insight in tackling these overheads is that LRM inference, and the reasoning that it embeds, is highly tolerant of approximations: complex tasks are typically broken down into simpler steps, each of which brings utility based on the semantic insight it provides for downstream steps rather than the exact tokens it generates. Accordingly, we introduce SpecReason, a system that automatically accelerates LRM inference by using a lightweight model to (speculatively) carry out simpler intermediate reasoning steps and reserving the costly base model only to assess (and potentially correct) the speculated outputs. Importantly, SpecReason's focus on exploiting the semantic flexibility of thinking tokens in preserving final-answer accuracy is complementary to prior speculation techniques, most notably speculative decoding, which demands token-level equivalence at each step. Across a variety of reasoning benchmarks, SpecReason achieves 1.5-2.5times speedup over vanilla LRM inference while improving accuracy by 1.0-9.9\%. Compared to speculative decoding without SpecReason, their combination yields an additional 19.4-44.2\% latency reduction. We open-source SpecReason at https://github.com/ruipeterpan/specreason.

  • 6 authors
·
Apr 10, 2025 3

Select2Reason: Efficient Instruction-Tuning Data Selection for Long-CoT Reasoning

A practical approach to activate long chain-of-thoughts reasoning ability in pre-trained large language models is to perform supervised fine-tuning on instruction datasets synthesized by strong Large Reasoning Models such as DeepSeek-R1, offering a cost-effective alternative to reinforcement learning. However, large-scale instruction sets with more than 100k samples incur significant training overhead, while effective strategies for automatic long-CoT instruction selection still remain unexplored. In this work, we propose Select2Reason, a novel and efficient instruction-tuning data selection framework for long-CoT reasoning. From the perspective of emergence of rethinking behaviors like self-correction and backtracking, we investigate common metrics that may determine the quality of long-CoT reasoning instructions. Select2Reason leverages a quantifier to estimate difficulty of question and jointly incorporates a reasoning trace length-based heuristic through a weighted scheme for ranking to prioritize high-utility examples. Empirical results on OpenR1-Math-220k demonstrate that fine-tuning LLM on only 10% of the data selected by Select2Reason achieves performance competitive with or superior to full-data tuning and open-source baseline OpenR1-Qwen-7B across three competition-level and six comprehensive mathematical benchmarks. Further experiments highlight the scalability in varying data size, efficiency during inference, and its adaptability to other instruction pools with minimal cost.

  • 8 authors
·
May 22, 2025

MirrorGuard: Toward Secure Computer-Use Agents via Simulation-to-Real Reasoning Correction

Large foundation models are integrated into Computer Use Agents (CUAs), enabling autonomous interaction with operating systems through graphical user interfaces (GUIs) to perform complex tasks. This autonomy introduces serious security risks: malicious instructions or visual prompt injections can trigger unsafe reasoning and cause harmful system-level actions. Existing defenses, such as detection-based blocking, prevent damage but often abort tasks prematurely, reducing agent utility. In this paper, we present MirrorGuard, a plug-and-play defense framework that uses simulation-based training to improve CUA security in the real world. To reduce the cost of large-scale training in operating systems, we propose a novel neural-symbolic simulation pipeline, which generates realistic, high-risk GUI interaction trajectories entirely in a text-based simulated environment, which captures unsafe reasoning patterns and potential system hazards without executing real operations. In the simulation environment, MirrorGuard learns to intercept and rectify insecure reasoning chains of CUAs before they produce and execute unsafe actions. In real-world testing, extensive evaluations across diverse benchmarks and CUA architectures show that MirrorGuard significantly mitigates security risks. For instance, on the ByteDance UI-TARS system, it reduces the unsafe rate from 66.5% to 13.0% while maintaining a marginal false refusal rate (FRR). In contrast, the state-of-the-art GuardAgent only achieves a reduction to 53.9% and suffers from a 15.4% higher FRR. Our work proves that simulation-derived defenses can provide robust, real-world protection while maintaining the fundamental utility of the agent. Our code and model are publicly available at https://bmz-q-q.github.io/MirrorGuard/.

  • 6 authors
·
Jan 19

Scaling over Scaling: Exploring Test-Time Scaling Pareto in Large Reasoning Models

Large reasoning models (LRMs) have exhibited the capacity of enhancing reasoning performance via internal test-time scaling. Building upon this, a promising direction is to further scale test-time compute to unlock even greater reasoning capabilities. However, as we push these scaling boundaries, systematically understanding the practical limits and achieving optimal resource allocation becomes a critical challenge. In this paper, we investigate the scaling Pareto of test-time scaling and introduce the Test-Time Scaling Performance Model (TTSPM). We theoretically analyze two fundamental paradigms for such extended scaling, parallel scaling and sequential scaling, from a probabilistic modeling perspective. Our primary contribution is the derivation of the saturation point on the scaling budget for both strategies, identifying thresholds beyond which additional computation yields diminishing returns. Remarkably, despite their distinct mechanisms, both paradigms converge to a unified mathematical structure in their upper bounds. We empirically validate our theoretical findings on challenging reasoning benchmarks, including AIME, MATH-500, and GPQA, demonstrating the practical utility of these bounds for test-time resource allocation. We hope that this work provides insights into the cost-benefit trade-offs of test-time scaling, guiding the development of more resource-efficient inference strategies for large reasoning models.

  • 5 authors
·
May 26, 2025

An Explainable Diagnostic Framework for Neurodegenerative Dementias via Reinforcement-Optimized LLM Reasoning

The differential diagnosis of neurodegenerative dementias is a challenging clinical task, mainly because of the overlap in symptom presentation and the similarity of patterns observed in structural neuroimaging. To improve diagnostic efficiency and accuracy, deep learning-based methods such as Convolutional Neural Networks and Vision Transformers have been proposed for the automatic classification of brain MRIs. However, despite their strong predictive performance, these models find limited clinical utility due to their opaque decision making. In this work, we propose a framework that integrates two core components to enhance diagnostic transparency. First, we introduce a modular pipeline for converting 3D T1-weighted brain MRIs into textual radiology reports. Second, we explore the potential of modern Large Language Models (LLMs) to assist clinicians in the differential diagnosis between Frontotemporal dementia subtypes, Alzheimer's disease, and normal aging based on the generated reports. To bridge the gap between predictive accuracy and explainability, we employ reinforcement learning to incentivize diagnostic reasoning in LLMs. Without requiring supervised reasoning traces or distillation from larger models, our approach enables the emergence of structured diagnostic rationales grounded in neuroimaging findings. Unlike post-hoc explainability methods that retrospectively justify model decisions, our framework generates diagnostic rationales as part of the inference process-producing causally grounded explanations that inform and guide the model's decision-making process. In doing so, our framework matches the diagnostic performance of existing deep learning methods while offering rationales that support its diagnostic conclusions.

  • 6 authors
·
May 26, 2025 2

ThinkJEPA: Empowering Latent World Models with Large Vision-Language Reasoning Model

Recent progress in latent world models (e.g., V-JEPA2) has shown promising capability in forecasting future world states from video observations. Nevertheless, dense prediction from a short observation window limits temporal context and can bias predictors toward local, low-level extrapolation, making it difficult to capture long-horizon semantics and reducing downstream utility. Vision--language models (VLMs), in contrast, provide strong semantic grounding and general knowledge by reasoning over uniformly sampled frames, but they are not ideal as standalone dense predictors due to compute-driven sparse sampling, a language-output bottleneck that compresses fine-grained interaction states into text-oriented representations, and a data-regime mismatch when adapting to small action-conditioned datasets. We propose a VLM-guided JEPA-style latent world modeling framework that combines dense-frame dynamics modeling with long-horizon semantic guidance via a dual-temporal pathway: a dense JEPA branch for fine-grained motion and interaction cues, and a uniformly sampled VLM thinker branch with a larger temporal stride for knowledge-rich guidance. To transfer the VLM's progressive reasoning signals effectively, we introduce a hierarchical pyramid representation extraction module that aggregates multi-layer VLM representations into guidance features compatible with latent prediction. Experiments on hand-manipulation trajectory prediction show that our method outperforms both a strong VLM-only baseline and a JEPA-predictor baseline, and yields more robust long-horizon rollout behavior.

  • 8 authors
·
Mar 23 2

Proceedings of the First International Workshop on Next-Generation Language Models for Knowledge Representation and Reasoning (NeLaMKRR 2024)

Reasoning is an essential component of human intelligence as it plays a fundamental role in our ability to think critically, support responsible decisions, and solve challenging problems. Traditionally, AI has addressed reasoning in the context of logic-based representations of knowledge. However, the recent leap forward in natural language processing, with the emergence of language models based on transformers, is hinting at the possibility that these models exhibit reasoning abilities, particularly as they grow in size and are trained on more data. Despite ongoing discussions about what reasoning is in language models, it is still not easy to pin down to what extent these models are actually capable of reasoning. The goal of this workshop is to create a platform for researchers from different disciplines and/or AI perspectives, to explore approaches and techniques with the aim to reconcile reasoning between language models using transformers and using logic-based representations. The specific objectives include analyzing the reasoning abilities of language models measured alongside KR methods, injecting KR-style reasoning abilities into language models (including by neuro-symbolic means), and formalizing the kind of reasoning language models carry out. This exploration aims to uncover how language models can effectively integrate and leverage knowledge and reasoning with it, thus improving their application and utility in areas where precision and reliability are a key requirement.

  • 5 authors
·
Oct 6, 2024

Deliberative Alignment is Deep, but Uncertainty Remains: Inference time safety improvement in reasoning via attribution of unsafe behavior to base model

While the wide adoption of refusal training in large language models (LLMs) has showcased improvements in model safety, recent works have highlighted shortcomings due to the shallow nature of these alignment methods. To this end, the work on Deliberative alignment proposed distilling reasoning capabilities from stronger reasoning models, thereby instilling deeper safety in LLMs. In this work, we study the impact of deliberative alignment in language models. First, we show that despite being larger in model size and stronger in safety capability, there exists an alignment gap between teacher and student language models, which affects both the safety and general utility of the student model. Furthermore, we show that models aligned through deliberative alignment can retain unsafe behaviors from the base model despite learning the reasoning patterns of larger reasoning models. Building upon this observation, we propose a BoN sampling method that attributes the unsafe behavior back to the base LLMs in the latent space, thereby down-ranking unsafe responses to gain a meaningful improvement in model safety across multiple safety benchmarks with minimal loss in utility. In particular, across 7 teacher models and 6 student models of different classes and sizes, we show an average attack success rate (ASR) reduction of 28.2% in DAN, 31.3% in WildJailbreak and 35.4 % in StrongREJECT benchmarks. We further show that these safety gains prevail post RL training, thus highlighting the uncertainty in safety reasoning and it's explicit attribution to the base model.

  • 2 authors
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Mar 31

Overthinking Reduction with Decoupled Rewards and Curriculum Data Scheduling

While large reasoning models trained with critic-free reinforcement learning and verifiable rewards (RLVR) represent the state-of-the-art, their practical utility is hampered by ``overthinking'', a critical issue where models generate excessively long reasoning paths without any performance benefit. Existing solutions that penalize length often fail, inducing performance degradation due to a fundamental misalignment between trajectory-level rewards and token-level optimization. In this work, we introduce a novel framework, DECS, built on our theoretical discovery of two previously unaddressed flaws in current length rewards: (1) the erroneous penalization of essential exploratory tokens and (2) the inadvertent rewarding of partial redundancy. Our framework's innovations include (i) a first-of-its-kind decoupled token-level reward mechanism that surgically distinguishes and penalizes redundant tokens, and (ii) a novel curriculum batch scheduling strategy to master the efficiency-efficacy equilibrium. Experimental results show DECS can achieve a dramatic reduction in reasoning tokens by over 50\% across seven benchmarks while simultaneously maintaining or even improving performance. It demonstrates conclusively that substantial gains in reasoning efficiency can be achieved without compromising a model's underlying reasoning power. Code is available at https://github.com/pixas/DECS.

  • 5 authors
·
Sep 30, 2025

SubgoalXL: Subgoal-based Expert Learning for Theorem Proving

Formal theorem proving, a field at the intersection of mathematics and computer science, has seen renewed interest with advancements in large language models (LLMs). This paper introduces SubgoalXL, a novel approach that synergizes subgoal-based proofs with expert learning to enhance LLMs' capabilities in formal theorem proving within the Isabelle environment. SubgoalXL addresses two critical challenges: the scarcity of specialized mathematics and theorem-proving data, and the need for improved multi-step reasoning abilities in LLMs. By optimizing data efficiency and employing subgoal-level supervision, SubgoalXL extracts richer information from limited human-generated proofs. The framework integrates subgoal-oriented proof strategies with an expert learning system, iteratively refining formal statement, proof, and subgoal generators. Leveraging the Isabelle environment's advantages in subgoal-based proofs, SubgoalXL achieves a new state-of-the-art performance of 56.1\% in Isabelle on the standard miniF2F dataset, marking an absolute improvement of 4.9\%. Notably, SubgoalXL successfully solves 41 AMC12, 9 AIME, and 3 IMO problems from miniF2F. These results underscore the effectiveness of maximizing limited data utility and employing targeted guidance for complex reasoning in formal theorem proving, contributing to the ongoing advancement of AI reasoning capabilities. The implementation is available at https://github.com/zhaoxlpku/SubgoalXL.

  • 6 authors
·
Aug 20, 2024

BaseReward: A Strong Baseline for Multimodal Reward Model

The rapid advancement of Multimodal Large Language Models (MLLMs) has made aligning them with human preferences a critical challenge. Reward Models (RMs) are a core technology for achieving this goal, but a systematic guide for building state-of-the-art Multimodal Reward Models (MRMs) is currently lacking in both academia and industry. Through exhaustive experimental analysis, this paper aims to provide a clear ``recipe'' for constructing high-performance MRMs. We systematically investigate every crucial component in the MRM development pipeline, including reward modeling paradigms (e.g., Naive-RM, Critic-based RM, and Generative RM), reward head architecture, training strategies, data curation (covering over ten multimodal and text-only preference datasets), backbone model and model scale, and ensemble methods. Based on these experimental insights, we introduce BaseReward, a powerful and efficient baseline for multimodal reward modeling. BaseReward adopts a simple yet effective architecture, built upon a {Qwen2.5-VL} backbone, featuring an optimized two-layer reward head, and is trained on a carefully curated mixture of high-quality multimodal and text-only preference data. Our results show that BaseReward establishes a new SOTA on major benchmarks such as MM-RLHF-Reward Bench, VL-Reward Bench, and Multimodal Reward Bench, outperforming previous models. Furthermore, to validate its practical utility beyond static benchmarks, we integrate BaseReward into a real-world reinforcement learning pipeline, successfully enhancing an MLLM's performance across various perception, reasoning, and conversational tasks. This work not only delivers a top-tier MRM but, more importantly, provides the community with a clear, empirically-backed guide for developing robust reward models for the next generation of MLLMs.

  • 15 authors
·
Sep 19, 2025 2

If LLM Is the Wizard, Then Code Is the Wand: A Survey on How Code Empowers Large Language Models to Serve as Intelligent Agents

The prominent large language models (LLMs) of today differ from past language models not only in size, but also in the fact that they are trained on a combination of natural language and formal language (code). As a medium between humans and computers, code translates high-level goals into executable steps, featuring standard syntax, logical consistency, abstraction, and modularity. In this survey, we present an overview of the various benefits of integrating code into LLMs' training data. Specifically, beyond enhancing LLMs in code generation, we observe that these unique properties of code help (i) unlock the reasoning ability of LLMs, enabling their applications to a range of more complex natural language tasks; (ii) steer LLMs to produce structured and precise intermediate steps, which can then be connected to external execution ends through function calls; and (iii) take advantage of code compilation and execution environment, which also provides diverse feedback for model improvement. In addition, we trace how these profound capabilities of LLMs, brought by code, have led to their emergence as intelligent agents (IAs) in situations where the ability to understand instructions, decompose goals, plan and execute actions, and refine from feedback are crucial to their success on downstream tasks. Finally, we present several key challenges and future directions of empowering LLMs with code.

  • 12 authors
·
Jan 1, 2024 1

MM-Agent: LLM as Agents for Real-world Mathematical Modeling Problem

Mathematical modeling is a cornerstone of scientific discovery and engineering practice, enabling the translation of real-world problems into formal systems across domains such as physics, biology, and economics. Unlike mathematical reasoning, which assumes a predefined formulation, modeling requires open-ended problem analysis, abstraction, and principled formalization. While Large Language Models (LLMs) have shown strong reasoning capabilities, they fall short in rigorous model construction, limiting their utility in real-world problem-solving. To this end, we formalize the task of LLM-powered real-world mathematical modeling, where agents must analyze problems, construct domain-appropriate formulations, and generate complete end-to-end solutions. We introduce MM-Bench, a curated benchmark of 111 problems from the Mathematical Contest in Modeling (MCM/ICM), spanning the years 2000 to 2025 and across ten diverse domains such as physics, biology, and economics. To tackle this task, we propose MM-Agent, an expert-inspired framework that decomposes mathematical modeling into four stages: open-ended problem analysis, structured model formulation, computational problem solving, and report generation. Experiments on MM-Bench show that MM-Agent significantly outperforms baseline agents, achieving an 11.88\% improvement over human expert solutions while requiring only 15 minutes and \$0.88 per task using GPT-4o. Furthermore, under official MCM/ICM protocols, MM-Agent assisted two undergraduate teams in winning the Finalist Award (top 2.0\% among 27,456 teams) in MCM/ICM 2025, demonstrating its practical effectiveness as a modeling copilot. Our code is available at https://github.com/usail-hkust/LLM-MM-Agent

  • 6 authors
·
May 20, 2025

Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resulting in 34 team submissions. The submissions spanned seven key application areas and demonstrated the diverse utility of LLMs for applications in (1) molecular and material property prediction; (2) molecular and material design; (3) automation and novel interfaces; (4) scientific communication and education; (5) research data management and automation; (6) hypothesis generation and evaluation; and (7) knowledge extraction and reasoning from scientific literature. Each team submission is presented in a summary table with links to the code and as brief papers in the appendix. Beyond team results, we discuss the hackathon event and its hybrid format, which included physical hubs in Toronto, Montreal, San Francisco, Berlin, Lausanne, and Tokyo, alongside a global online hub to enable local and virtual collaboration. Overall, the event highlighted significant improvements in LLM capabilities since the previous year's hackathon, suggesting continued expansion of LLMs for applications in materials science and chemistry research. These outcomes demonstrate the dual utility of LLMs as both multipurpose models for diverse machine learning tasks and platforms for rapid prototyping custom applications in scientific research.

  • 141 authors
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Nov 20, 2024 2

RWKU: Benchmarking Real-World Knowledge Unlearning for Large Language Models

Large language models (LLMs) inevitably memorize sensitive, copyrighted, and harmful knowledge from the training corpus; therefore, it is crucial to erase this knowledge from the models. Machine unlearning is a promising solution for efficiently removing specific knowledge by post hoc modifying models. In this paper, we propose a Real-World Knowledge Unlearning benchmark (RWKU) for LLM unlearning. RWKU is designed based on the following three key factors: (1) For the task setting, we consider a more practical and challenging unlearning setting, where neither the forget corpus nor the retain corpus is accessible. (2) For the knowledge source, we choose 200 real-world famous people as the unlearning targets and show that such popular knowledge is widely present in various LLMs. (3) For the evaluation framework, we design the forget set and the retain set to evaluate the model's capabilities across various real-world applications. Regarding the forget set, we provide four four membership inference attack (MIA) methods and nine kinds of adversarial attack probes to rigorously test unlearning efficacy. Regarding the retain set, we assess locality and utility in terms of neighbor perturbation, general ability, reasoning ability, truthfulness, factuality, and fluency. We conduct extensive experiments across two unlearning scenarios, two models and six baseline methods and obtain some meaningful findings. We release our benchmark and code publicly at http://rwku-bench.github.io for future work.

  • 9 authors
·
Jun 16, 2024

Zephyrus: An Agentic Framework for Weather Science

Foundation models for weather science are pre-trained on vast amounts of structured numerical data and outperform traditional weather forecasting systems. However, these models lack language-based reasoning capabilities, limiting their utility in interactive scientific workflows. Large language models (LLMs) excel at understanding and generating text but cannot reason about high-dimensional meteorological datasets. We bridge this gap by building the first agentic framework for weather science. Our framework includes a Python code-based environment for agents (ZephyrusWorld) to interact with weather data, featuring tools including a WeatherBench 2 dataset indexer, geolocator for geocoding from natural language, weather forecasting, climate simulation capabilities, and a climatology module for querying precomputed climatological statistics (e.g., means, extremes, and quantiles) across multiple timescales. We design Zephyrus, a multi-turn LLM-based weather agent that iteratively analyzes weather datasets, observes results, and refines its approach through conversational feedback loops. We accompany the agent with a new benchmark, ZephyrusBench, with a scalable data generation pipeline that constructs diverse question-answer pairs across weather-related tasks, from basic lookups to advanced forecasting, extreme event detection, and counterfactual reasoning. Experiments on this benchmark demonstrate the strong performance of Zephyrus agents over text-only baselines, outperforming them by up to 44 percentage points in correctness. However, the hard tasks are still difficult even with frontier LLMs, highlighting the challenging nature of our benchmark and suggesting room for future development. Our codebase and benchmark are available at https://github.com/Rose-STL-Lab/Zephyrus.

  • 17 authors
·
Oct 4, 2025

RecGPT-V2 Technical Report

Large language models (LLMs) have demonstrated remarkable potential in transforming recommender systems from implicit behavioral pattern matching to explicit intent reasoning. While RecGPT-V1 successfully pioneered this paradigm by integrating LLM-based reasoning into user interest mining and item tag prediction, it suffers from four fundamental limitations: (1) computational inefficiency and cognitive redundancy across multiple reasoning routes; (2) insufficient explanation diversity in fixed-template generation; (3) limited generalization under supervised learning paradigms; and (4) simplistic outcome-focused evaluation that fails to match human standards. To address these challenges, we present RecGPT-V2 with four key innovations. First, a Hierarchical Multi-Agent System restructures intent reasoning through coordinated collaboration, eliminating cognitive duplication while enabling diverse intent coverage. Combined with Hybrid Representation Inference that compresses user-behavior contexts, our framework reduces GPU consumption by 60% and improves exclusive recall from 9.39% to 10.99%. Second, a Meta-Prompting framework dynamically generates contextually adaptive prompts, improving explanation diversity by +7.3%. Third, constrained reinforcement learning mitigates multi-reward conflicts, achieving +24.1% improvement in tag prediction and +13.0% in explanation acceptance. Fourth, an Agent-as-a-Judge framework decomposes assessment into multi-step reasoning, improving human preference alignment. Online A/B tests on Taobao demonstrate significant improvements: +2.98% CTR, +3.71% IPV, +2.19% TV, and +11.46% NER. RecGPT-V2 establishes both the technical feasibility and commercial viability of deploying LLM-powered intent reasoning at scale, bridging the gap between cognitive exploration and industrial utility.

  • 35 authors
·
Dec 16, 2025 1

Do Vision-Language Models Respect Contextual Integrity in Location Disclosure?

Vision-language models (VLMs) have demonstrated strong performance in image geolocation, a capability further sharpened by frontier multimodal large reasoning models (MLRMs). This poses a significant privacy risk, as these widely accessible models can be exploited to infer sensitive locations from casually shared photos, often at street-level precision, potentially surpassing the level of detail the sharer consented or intended to disclose. While recent work has proposed applying a blanket restriction on geolocation disclosure to combat this risk, these measures fail to distinguish valid geolocation uses from malicious behavior. Instead, VLMs should maintain contextual integrity by reasoning about elements within an image to determine the appropriate level of information disclosure, balancing privacy and utility. To evaluate how well models respect contextual integrity, we introduce VLM-GEOPRIVACY, a benchmark that challenges VLMs to interpret latent social norms and contextual cues in real-world images and determine the appropriate level of location disclosure. Our evaluation of 14 leading VLMs shows that, despite their ability to precisely geolocate images, the models are poorly aligned with human privacy expectations. They often over-disclose in sensitive contexts and are vulnerable to prompt-based attacks. Our results call for new design principles in multimodal systems to incorporate context-conditioned privacy reasoning.