RL-Guider: Leveraging Historical Decisions and Feedback for Drug Editing with Large Language Models. - Xufeng Liu 002; Yixuan Ding; Jingxiang Qu; Yichi Zhang; Wenhan Gao 002; Yi Liu 059 (ACL (Findings), 2025)

RISE: Radius of Influence based Subgraph Extraction for 3D Molecular Graph Explanation. - Jingxiang Qu; Wenhan Gao 002; Jiaxing Zhang 002; Xufeng Liu 002; Hua Wei 001; Haibin Ling; Yi Liu 059 (ICML, 2025)

3DGraphX: Explaining 3D Molecular Graph Models via Incorporating Chemical Priors. - Xufeng Liu 002; Dongsheng Luo; Wenhan Gao 002; Yi Liu 059 (KDD (1), 2025)