Reinforcement learning (RL) has become a dominant paradigm for enhancing LLMs' reasoning capabilities. Yet long-horizon autoregressive rollouts introduce a fundamental limitation: local policy mismatch can compound into severe state distribution shift over trajectories. Existing LLM RL methods, such as GRPO and GSPO, control policy mismatch at the token or sequence level, but overlook this trajectory-induced shift, causing training instability and eventual collapse as the horizon grows. To close the state distribution gap, we propose Trajectory-Aware Policy Optimization (TAPO), a principled framework that theoretically derives the state-distribution correction from the off-policy policy gradient and incorporates it into the RL objective. TAPO further employs a geometric-mean estimator for variance reduction, together with a length-aware dynamic clipping that prevents overly deviated updates across the trajectory. Extensive experiments demonstrate that TAPO significantly surpasses existing LLM RL algorithms across eight competition-level benchmarks, achieving up to 48% and 12% improvement over GRPO on mathematical reasoning and algorithmic coding, with substantially enhanced training stability.
Science agents increasingly package domain expertise as reusable skills that plan analyses, select tools, and execute workflows. This modularity creates a confidentiality risk: the interactions that deliver a skill's capability can also reveal the skill itself. We build an extensible benchmark of 40 protected skills across eight open- and closed-source science-agent platforms, comparing direct, fixed-strategy, and bandit-guided iterative probing under reference-based and reference-free evaluation. Leakage is pervasive: all eight platforms (100%) leak at least one protected skill, and four reach 100% attack success under a single direct request. To stress-test platforms that resist simple probing, we propose SEEK (Skill Extraction with Evolving Knowledge), a black-box, self-evolving red-teaming agent that consolidates response-derived evidence in persistent memory and evolves reusable attack skills, using only user-visible responses. On 12 skills from SpatialAgent and Biomni, SEEK achieves 100% attack success while reducing the mean first-success round by 31.8% and 38.2% relative to bandit-guided probing. Against a confidentiality policy that blocks all three benchmark protocols, SEEK still extracts one of six protected skills. These findings show that current science agents do not reliably protect their skills and that defenses must be evaluated against adaptive, multi-turn attackers.
YiFei Wang, Qizhi Pei, Jiangtao Feng, Yuntian Shi, Yi Duan, Lihao Wang, Lei Bai Shanghai AI Laboratory, Lijun Wu Shanghai Artificial Intelligence Laboratory 等 10 位作者
Multi-step retrosynthetic planning is a fundamental challenge in organic chemistry, traditionally modeled as a combinatorial search problem guided by single-step prediction models. However, this search-centric paradigm often disconnects from the explicit chemical reasoning processes employed by human experts. In this paper, we propose R^3 (Reinforced Reasoning Retrosynthesis), a novel framework that reformulates this task as end-to-end generative reasoning. Instead of traversing a search tree, R^3 simulates the problem-solving logic of chemists to directly generate complete synthetic pathways. To achieve this, we initialize the model with domain knowledge and employ end-to-end Reinforcement Learning (RL) to optimize the entire planning policy. Experimental results on Retrobench show that R^3 achieves a state-of-the-art Top-1 accuracy of 43.7%, demonstrating that generative reasoning offers a superior alternative to traditional search algorithms in solving complex retrosynthetic problems.
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Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers) · 2026 · 正式发表