14 papers
Start Classifying: Categorical Critics for LLM Reinforcement Learning
Zhijian Zhou, Long Li, Xuan Zhang +7
Proximal Policy Optimization (PPO) for large language models typically trains its critic by mean-squared-error (MSE) regression on scalar value targets. Although scalar MSE is stat…
Internalizing the Future: A Unified Agentic Training Paradigm for World Model Planning
Xuan Zhang, Zhijian Zhou, Lingfeng Qiao +6
Large language model (LLM) agents have demonstrated strong capability in sequential decision-making, yet they remains fundamentally reactive in long-horizon tasks. Unlike humans wh…
Nested Spatio-Temporal Time Series Forecasting
Yinghao Ai, Yukai Zhou, Ruoxi Jiang +8
Spatiotemporal forecasting is critical for real-world applications like traffic management, yet capturing reliable interactions remains challenging under noisy and non-stationary c…
Equivariant Asynchronous Diffusion: An Adaptive Denoising Schedule for Accelerated Molecular Conformation Generation
Junyi An, Chao Qu, Yun-Fei Shi +3
Recent 3D molecular generation methods primarily use asynchronous auto-regressive or synchronous diffusion models. While auto-regressive models build molecules sequentially, they'r…
SQL-ASTRA: Alleviating Sparse Feedback in Agentic SQL via Column-Set Matching and Trajectory Aggregation
Long Li, Zhijian Zhou, Jiangxuan Long +5
Agentic Reinforcement Learning (RL) shows promise for complex tasks, but Text-to-SQL remains mostly restricted to single-turn paradigms. A primary bottleneck is the credit assignme…
DyJR: Preserving Diversity in Reinforcement Learning with Verifiable Rewards via Dynamic Jensen-Shannon Replay
Long Li, Zhijian Zhou, Tianyi Wang +7
While Reinforcement Learning (RL) enhances Large Language Model reasoning, on-policy algorithms like GRPO are sample-inefficient as they discard past rollouts. Existing experience…
Count Counts: Motivating Exploration in LLM Reasoning with Count-based Intrinsic Rewards
Xuan Zhang, Ruixiao Li, Zhijian Zhou +7
Reinforcement Learning (RL) has become a compelling way to strengthen the multi step reasoning ability of Large Language Models (LLMs). However, prevalent RL paradigms still lean o…
Unleashing Flow Policies with Distributional Critics
Deshu Chen, Yuchen Liu, Zhijian Zhou +2
Flow-based policies have recently emerged as a powerful tool in offline and offline-to-online reinforcement learning, capable of modeling the complex, multimodal behaviors found in…
The Choice of Divergence: A Neglected Key to Mitigating Diversity Collapse in Reinforcement Learning with Verifiable Reward
Long Li, Zhijian Zhou, Jiaran Hao +9
A central paradox in fine-tuning Large Language Models (LLMs) with Reinforcement Learning with Verifiable Reward (RLVR) is the frequent degradation of multi-attempt performance (Pa…
Constraints-Guided Diffusion Reasoner for Neuro-Symbolic Learning
Xuan Zhang, Zhijian Zhou, Weidi Xu +3
Enabling neural networks to learn complex logical constraints and fulfill symbolic reasoning is a critical challenge. Bridging this gap often requires guiding the neural network's…
Guiding Diffusion Models with Reinforcement Learning for Stable Molecule Generation
Zhijian Zhou, Junyi An, Zongkai Liu +5
Generating physically realistic 3D molecular structures remains a core challenge in molecular generative modeling. While diffusion models equipped with equivariant neural networks…
ChemAmp: Amplified Chemistry Tools via Composable Agents
Zhucong Li, Powei Chang, Jin Xiao +6
Although LLM-based agents are proven to master tool orchestration in scientific fields, particularly chemistry, their single-task performance remains limited by underlying tool con…
ChemHTS: Hierarchical Tool Stacking for Enhancing Chemical Agents
Zhucong Li, Jin Xiao, Bowei Zhang +5
Large Language Models (LLMs) have demonstrated remarkable potential in scientific research, particularly in chemistry-related tasks such as molecular design, reaction prediction, a…
An Open Quantum Chemistry Property Database of 120 Kilo Molecules with 20 Million Conformers
Weiqi Liu, Xi Ai, Zhijian Zhou +7
Artificial intelligence is revolutionizing computational chemistry, bringing unprecedented innovation and efficiency to the field. To further advance research and expedite progress…