Zhanke Zhou
Publications
RewardFlow: Topology-Aware Reward Propagation on State Graphs for Agentic RL with Large Language Models
Reinforcement learning (RL) holds significant promise for enhancing the agentic reasoning capabilities of large language models (LLMs) with external environments. However, the inherent sparsity of terminal rewards hinders fine-grained, state-level optimization. Although process reward modeling offers a promising alternative, training dedicated reward models often entails substantial computational costs and scaling difficulties. To address these challenges, we introduce RewardFlow, a lightweight method for estimating state-level rewards tailored to agentic reasoning tasks. RewardFlow leverages the intrinsic topological structure of states within reasoning trajectories by constructing state graphs. This enables an analysis of state-wise contributions to success, followed by topology-aware graph propagation to quantify contributions and yield objective, state-level rewards. When integrated as dense rewards for RL optimization, RewardFlow substantially outperforms prior RL baselines across four agentic reasoning benchmarks, demonstrating superior performance, robustness, and training efficiency. The implementation of RewardFlow is publicly available at https://github.com/tmlr-group/RewardFlow.
Reference-guided Policy Optimization for Molecular Optimization via LLM Reasoning
Large language models (LLMs) benefit substantially from supervised fine-tuning (SFT) and reinforcement learning with verifiable rewards (RLVR) in reasoning tasks. However, these recipes perform poorly in instruction-based molecular optimization, where each data point typically provides only a single optimized reference molecule and no step-by-step optimization trajectory. We reveal that answer-only SFT on the reference molecules collapses reasoning, and RLVR provides sparse feedback under similarity constraints due to the model's lack of effective exploration, which slows learning and limits optimization. To encourage the exploration of new molecules while balancing the exploitation of the reference molecules, we introduce Reference-guided Policy Optimization (RePO), an optimization approach that learns from reference molecules without requiring trajectory data. At each update, RePO samples candidate molecules with their intermediate reasoning trajectories from the model and trains the model using verifiable rewards that measure property satisfaction under similarity constraints in an RL manner. Meanwhile, it applies reference guidance by keeping the policy's intermediate reasoning trajectory as context and training only the answer in a supervised manner. Together, the RL term promotes exploration, while the guidance term mitigates reward sparsity and stabilizes training by grounding outputs to references when many valid molecular edits exist. Across molecular optimization benchmarks, RePO consistently outperforms SFT and RLVR baselines (e.g., GRPO), achieving improvements on the optimization metric (Success Rate $\times$ Similarity), improving balance across competing objectives, and generalizing better to unseen instruction styles. Our code is publicly available at https://github.com/tmlr-group/RePO.