Zeyu Wang

Weichen Dai, Yezeng Chen, Zijie Dai et al.

Recent advancements in large language models (LLMs) have demonstrated strong potential for enabling domain-specific intelligence. In this work, we present our vision for building an AI-powered chemical brain, which frames chemical intelligence around four core capabilities: information extraction, semantic parsing, knowledge-based QA, and reasoning & planning. We argue that domain knowledge and logic are essential pillars for enabling such a system to assist and accelerate scientific discovery. To initiate this effort, we introduce our first generation of large language models for chemistry: KALE-LM-Chem and KALE-LM-Chem-1.5, which have achieved outstanding performance in tasks related to the field of chemistry. We hope that our work serves as a strong starting point, helping to realize more intelligent AI and promoting the advancement of human science and technology, as well as societal development.

Leiji Zhang, Zeyu Wang, Xin Li et al.

Bisimulation metric has long been regarded as an effective control-related representation learning technique in various reinforcement learning tasks. However, in this paper, we identify two main issues with the conventional bisimulation metric: 1) an inability to represent certain distinctive scenarios, and 2) a reliance on predefined weights for differences in rewards and subsequent states during recursive updates. We find that the first issue arises from an imprecise definition of the reward gap, whereas the second issue stems from overlooking the varying importance of reward difference and next-state distinctions across different training stages and task settings. To address these issues, by introducing a measure for state-action pairs, we propose a revised bisimulation metric that features a more precise definition of reward gap and novel update operators with adaptive coefficient. We also offer theoretical guarantees of convergence for our proposed metric and its improved representation distinctiveness. In addition to our rigorous theoretical analysis, we conduct extensive experiments on two representative benchmarks, DeepMind Control and Meta-World, demonstrating the effectiveness of our approach.