[1] A unified evolution-driven deep learning framework for virus variation driver prediction. Nature Machine Intelligence, 2025.

[2] Running ahead of evolution—AI-based simulation for predicting future high-risk SARS-CoV-2 variants. IJHPCA, 2023. (ACM Gordon Bell Prize Finalist)

[3] ProAR: Probabilistic Autoregressive Modeling for Molecular Dynamics. AAAI, 2026.

[4] MTPNet: Multi-Grained Target Perception for Unified Activity Cliff Prediction. IJCAI Oral, 2025.

[5] Learning Protein Structure-Function Relationships through Knowledge-guided Representation Decomposition. ICML, 2026.

[6] Predicting protein stability changes upon mutations with dual-view ensemble learning from single sequence. Briefings in Bioinformatics, 2025.

[7] Generative prediction of real-world prevalent SARS-CoV-2 mutation with in silico virus evolution. Briefings in Bioinformatics, 2025.

[8] Antibody-antigen neutralization prediction by integrating structural information distillation and physicochemical constraints. Briefings in Bioinformatics, 2026.