3 papers
cs.LG2026
Enhanced Drug-drug Interaction Prediction Using Adaptive Knowledge Integration
Pengfei Liu, Jun Tao, Zhixiang Ren
Drug-drug interaction event (DDIE) prediction is crucial for preventing adverse reactions and ensuring optimal therapeutic outcomes. However, existing methods often face challenges…
cs.LG2026
A Multi-task Large Reasoning Model for Molecular Science
Pengfei Liu, Shuang Ge, Jun Tao +1
Advancements in artificial intelligence for molecular science are necessitating a paradigm shift from purely data-driven predictions to knowledge-guided computational reasoning. Ex…
cs.LG2025
A quantitative analysis of knowledge-learning preferences in large language models in molecular science
Pengfei Liu, Jun Tao, Zhixiang Ren
Deep learning has significantly advanced molecular modeling and design, enabling efficient understanding and discovery of novel molecules. In particular, large language models (LLM…