Deep Learning
Query-Level Uncertainty in Large Language Models
Chen, Lihu, de Melo, Gerard, Suchanek, Fabian M., Varoquaux, Gaรซl
It is important for Large Language Models (LLMs) to be aware of the boundary of their knowledge, distinguishing queries they can confidently answer from those that lie beyond their capabilities. Such awareness enables models to perform adaptive inference, such as invoking retrieval-augmented generation (RAG), engaging in slow and deep thinking, or abstaining from answering when appropriate. These mechanisms are key to developing efficient and trustworthy AI. In this work, we propose a method to detect knowledge boundaries via Query-Level Uncertainty, which estimates if a model is capable of answering a given query before generating any tokens, thus avoiding the generation cost. To this end, we propose a novel, training-free method called Internal Confidence, which leverages self-evaluations across layers and tokens to provide a reliable signal of uncertainty. Empirical studies on both factual question answering and mathematical reasoning tasks demonstrate that our Internal Confidence outperforms several baselines in quality of confidence while being computationally cheaper. Furthermore, we demonstrate its benefits in adaptive inference settings, showing that for RAG and model cascading it reduces inference costs while preserving overall performance.
Learning What Reinforcement Learning Can't: Interleaved Online Fine-Tuning for Hardest Questions
Ma, Lu, Liang, Hao, Qiang, Meiyi, Tang, Lexiang, Ma, Xiaochen, Wong, Zhen Hao, Niu, Junbo, Shen, Chengyu, He, Runming, Li, Yanhao, Cui, Bin, Zhang, Wentao
Recent advances in large language model (LLM) reasoning have shown that sophisticated behaviors such as planning and self-reflection can emerge through reinforcement learning (RL). However, despite these successes, RL in its current form remains insufficient to induce capabilities that exceed the limitations of the base model, as it is primarily optimized based on existing knowledge of the model rather than facilitating the acquisition of new information. To address this limitation, we employ supervised fine-tuning (SFT) to learn what RL cannot, which enables the incorporation of new knowledge and reasoning patterns by leveraging high-quality demonstration data. We analyze the training dynamics of RL and SFT for LLM reasoning and find that RL excels at maintaining and improving performance on questions within the model's original capabilities, while SFT is more effective at enabling progress on questions beyond the current scope of the model. Motivated by the complementary strengths of RL and SFT, we introduce a novel training approach, \textbf{ReLIFT} (\textbf{Re}inforcement \textbf{L}earning \textbf{I}nterleaved with Online \textbf{F}ine-\textbf{T}uning). In ReLIFT, the model is primarily trained using RL, but when it encounters challenging questions, high-quality solutions are collected for fine-tuning, and the training process alternates between RL and fine-tuning to enhance the model's reasoning abilities. ReLIFT achieves an average improvement of over +5.2 points across five competition-level benchmarks and one out-of-distribution benchmark compared to other zero-RL models. Furthermore, we demonstrate that ReLIFT outperforms both RL and SFT while using only 13\% of the detailed demonstration data, highlighting its scalability. These results provide compelling evidence that ReLIFT overcomes the fundamental limitations of RL and underscores the significant potential.
Chasing Moving Targets with Online Self-Play Reinforcement Learning for Safer Language Models
Liu, Mickel, Jiang, Liwei, Liang, Yancheng, Du, Simon Shaolei, Choi, Yejin, Althoff, Tim, Jaques, Natasha
Conventional language model (LM) safety alignment relies on a reactive, disjoint procedure: attackers exploit a static model, followed by defensive fine-tuning to patch exposed vulnerabilities. This sequential approach creates a mismatch -- attackers overfit to obsolete defenses, while defenders perpetually lag behind emerging threats. To address this, we propose Self-RedTeam, an online self-play reinforcement learning algorithm where an attacker and defender agent co-evolve through continuous interaction. We cast safety alignment as a two-player zero-sum game, where a single model alternates between attacker and defender roles -- generating adversarial prompts and safeguarding against them -- while a reward LM adjudicates outcomes. This enables dynamic co-adaptation. Grounded in the game-theoretic framework of zero-sum games, we establish a theoretical safety guarantee which motivates the design of our method: if self-play converges to a Nash Equilibrium, the defender will reliably produce safe responses to any adversarial input. Empirically, Self-RedTeam uncovers more diverse attacks (+21.8% SBERT) compared to attackers trained against static defenders and achieves higher robustness on safety benchmarks (e.g., +65.5% on WildJailBreak) than defenders trained against static attackers. We further propose hidden Chain-of-Thought, allowing agents to plan privately, which boosts adversarial diversity and reduces over-refusals. Our results motivate a shift from reactive patching to proactive co-evolution in LM safety training, enabling scalable, autonomous, and robust self-improvement of LMs via multi-agent reinforcement learning (MARL).
Beyond RLHF and NLHF: Population-Proportional Alignment under an Axiomatic Framework
Kim, Kihyun, Zhang, Jiawei, Ozdaglar, Asuman, Parrilo, Pablo A.
Conventional preference learning methods often prioritize opinions held more widely when aggregating preferences from multiple evaluators. This may result in policies that are biased in favor of some types of opinions or groups and susceptible to strategic manipulation. To address this issue, we develop a novel preference learning framework capable of aligning aggregate opinions and policies proportionally with the true population distribution of evaluator preferences. Grounded in social choice theory, our approach infers the feasible set of evaluator population distributions directly from pairwise comparison data. Using these estimates, the algorithm constructs a policy that satisfies foundational axioms from social choice theory, namely monotonicity and Pareto efficiency, as well as our newly-introduced axioms of population-proportional alignment and population-bounded manipulability. Moreover, we propose a soft-max relaxation method that smoothly trade-offs population-proportional alignment with the selection of the Condorcet winner (which beats all other options in pairwise comparisons). Finally, we validate the effectiveness and scalability of our approach through experiments on both tabular recommendation tasks and large language model alignment.
Micro-Act: Mitigating Knowledge Conflict in LLM-based RAG via Actionable Self-Reasoning
Huo, Nan, Li, Jinyang, Qin, Bowen, Qu, Ge, Li, Xiaolong, Li, Xiaodong, Ma, Chenhao, Cheng, Reynold
Retrieval-Augmented Generation (RAG) systems commonly suffer from Knowledge Conflicts, where retrieved external knowledge contradicts the inherent, parametric knowledge of large language models (LLMs). It adversely affects performance on downstream tasks such as question answering (QA). Existing approaches often attempt to mitigate conflicts by directly comparing two knowledge sources in a side-by-side manner, but this can overwhelm LLMs with extraneous or lengthy contexts, ultimately hindering their ability to identify and mitigate inconsistencies. To address this issue, we propose Micro-Act a framework with a hierarchical action space that automatically perceives context complexity and adaptively decomposes each knowledge source into a sequence of fine-grained comparisons. These comparisons are represented as actionable steps, enabling reasoning beyond the superficial context. Through extensive experiments on five benchmark datasets, Micro-Act consistently achieves significant increase in QA accuracy over state-of-the-art baselines across all 5 datasets and 3 conflict types, especially in temporal and semantic types where all baselines fail significantly. More importantly, Micro-Act exhibits robust performance on non-conflict questions simultaneously, highlighting its practical value in real-world RAG applications.
MedAgentGym: A Scalable Agentic Training Environment for Code-Centric Reasoning in Biomedical Data Science
Xu, Ran, Zhuang, Yuchen, Zhong, Yishan, Yu, Yue, Wang, Zifeng, Tang, Xiangru, Wu, Hang, Wang, May D., Ruan, Peifeng, Yang, Donghan, Wang, Tao, Xiao, Guanghua, Liu, Xin, Yang, Carl, Xie, Yang, Shi, Wenqi
We introduce MedAgentGym, a scalable and interactive training environment designed to enhance coding-based biomedical reasoning capabilities in large language model (LLM) agents. MedAgentGym comprises 72,413 task instances across 129 categories derived from 12 authentic real-world biomedical scenarios. Tasks are encapsulated within executable sandbox environments, each featuring detailed task specifications, interactive feedback mechanisms, verifiable ground truth annotations, and scalable training trajectory generation. Extensive benchmarking of 29 LLMs reveals substantial performance disparities in biomedical data science between commercial and open-source LLMs. Leveraging efficient multi-threaded and multi-turn trajectory sampling in MedAgentGym, Med-Copilot achieves performance gains of +43.02% and +45.28% from offline and online reinforcement learning, respectively, demonstrating MedAgentGym as an effective training ground while establishing itself as a cost-effective, privacy-preserving alternative competitive with proprietary LLMs (gpt-4o). By offering a unified execution environment with a comprehensive benchmark and accessible, extensible training resources, MedAgentGym delivers an integrated platform to develop LLM-based coding assistants for advanced biomedical data science.
UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules
Yu, Ziyang, Huang, Wenbing, Liu, Yang
Molecular Dynamics (MD) simulations are essential for understanding the atomic-level behavior of molecular systems, giving insights into their transitions and interactions. However, classical MD techniques are limited by the trade-off between accuracy and efficiency, while recent deep learning-based improvements have mostly focused on single-domain molecules, lacking transferability to unfamiliar molecular systems. Therefore, we propose \textbf{Uni}fied \textbf{Sim}ulator (UniSim), which leverages cross-domain knowledge to enhance the understanding of atomic interactions. First, we employ a multi-head pretraining approach to learn a unified atomic representation model from a large and diverse set of molecular data. Then, based on the stochastic interpolant framework, we learn the state transition patterns over long timesteps from MD trajectories, and introduce a force guidance module for rapidly adapting to different chemical environments. Our experiments demonstrate that UniSim achieves highly competitive performance across small molecules, peptides, and proteins.
SRPO: Enhancing Multimodal LLM Reasoning via Reflection-Aware Reinforcement Learning
Wan, Zhongwei, Dou, Zhihao, Liu, Che, Zhang, Yu, Cui, Dongfei, Zhao, Qinjian, Shen, Hui, Xiong, Jing, Xin, Yi, Jiang, Yifan, Tao, Chaofan, He, Yangfan, Zhang, Mi, Yan, Shen
Multimodal large language models (MLLMs) have shown promising capabilities in reasoning tasks, yet still struggle with complex problems requiring explicit self-reflection and self-correction, especially compared to their unimodal text-based counterparts. Existing reflection methods are simplistic and struggle to generate meaningful and instructive feedback, as the reasoning ability and knowledge limits of pre-trained models are largely fixed during initial training. To overcome these challenges, we propose Multimodal Self-Reflection enhanced reasoning with Group Relative Policy Optimization (SRPO), a two-stage reflection-aware reinforcement learning (RL) framework explicitly designed to enhance multimodal LLM reasoning. In the first stage, we construct a high-quality, reflection-focused dataset under the guidance of an advanced MLLM, which generates reflections based on initial responses to help the policy model learn both reasoning and self-reflection. In the second stage, we introduce a novel reward mechanism within the GRPO framework that encourages concise and cognitively meaningful reflection while avoiding redundancy. Extensive experiments across multiple multimodal reasoning benchmarks, including MathVista, MathVision, MathVerse, and MMMU-Pro, using Qwen-2.5-VL-7B and Qwen-2.5-VL-32B demonstrate that SRPO significantly outperforms state-of-the-art models, achieving notable improvements in both reasoning accuracy and reflection quality.
Improve MLLM Benchmark Efficiency through Interview
Wen, Farong, Guo, Yijin, Wang, Junying, Xiao, Jiaohao, Zhou, Yingjie, Shen, Ye, Jia, Qi, Li, Chunyi, Zhang, Zicheng
The rapid development of Multimodal Large Language Models (MLLM) has led to a wide range of MLLM applications, and a number of benchmark datasets have sprung up in order to assess MLLM abilities. However, full-coverage Q&A testing on large-scale data is resource-intensive and time-consuming. To address this issue, we propose the MLLM Interview (MITV) strategy, which aims to quickly obtain MLLM performance metrics by quizzing fewer question. First, First, we constructed the interview dataset, which was built on an existing MLLM assessment dataset, by adding difficulty labels based on the performance of some typical MLLMs in this dataset. Second, we propose an MLLM Interview strategy, which obtains an initial performance situation of the large model by quizzing a small number of topics and then continuously tries to test the model's limits. Through extensive experiments, the result shows that the MITV strategy proposed in this paper performs well on MLLM benchmark datasets, and it is able to obtain the model evaluation capability faster through a small number of questions and answers.
The Security Threat of Compressed Projectors in Large Vision-Language Models
Zhang, Yudong, Xie, Ruobing, Sun, Xingwu, Chen, Jiansheng, Kang, Zhanhui, Wang, Di, Wang, Yu
The choice of a suitable visual language projector (VLP) is critical to the successful training of large visual language models (LVLMs). Mainstream VLPs can be broadly categorized into compressed and uncompressed projectors, and each offers distinct advantages in performance and computational efficiency. However, their security implications have not been thoroughly examined. Our comprehensive evaluation reveals significant differences in their security profiles: compressed projectors exhibit substantial vulnerabilities, allowing adversaries to successfully compromise LVLMs even with minimal knowledge of structure information. In stark contrast, uncompressed projectors demonstrate robust security properties and do not introduce additional vulnerabilities. These findings provide critical guidance for researchers in selecting optimal VLPs that enhance the security and reliability of visual language models. The code is available at https://github.com/btzyd/TCP.