3 papers
cs.LG2026
Agentic reinforcement learning empowers next-generation chemical language models for molecular design and synthesis
Hao Li, He Cao, Shenyao Peng +7
Language models are revolutionizing the biochemistry domain, assisting scientists in drug design and chemical synthesis with high efficiency. Yet current approaches struggle betwee…
cs.CL2025
How to Detect and Defeat Molecular Mirage: A Metric-Driven Benchmark for Hallucination in LLM-based Molecular Comprehension
Hao Li, Liuzhenghao Lv, He Cao +6
Large language models are increasingly used in scientific domains, especially for molecular understanding and analysis. However, existing models are affected by hallucination issue…
cs.CE2025
Navigating Chemical-Linguistic Sharing Space with Heterogeneous Molecular Encoding
Liuzhenghao Lv, Hao Li, Yu Wang +5
Chemical language models (CLMs) are prominent for their effectiveness in exploring chemical space and enabling molecular engineering. However, while exploring chemical-linguistic s…