| 2026 | AAAI | De Novo Molecular Generation from Mass Spectra via Many-Body Enhanced Diffusion. | Xichen Sun, Wentao Wei, Jiahua Rao, Jiancong Xie, Yuedong Yang |
| 2026 | AAAI | Informative Subgraph Extraction with Deep Reinforcement Learning for Drug-Drug Interaction Prediction. | Jiancong Xie, Wentao Wei, Chi Zhang, Jiahua Rao, Yuedong Yang |
| 2026 | AAAI | Advancing Protein Design via Multi-Agent Reinforcement Learning with Pareto-Based Collaborative Optimization. | Mingming Zhu, Jiahua Rao, Xiaoyu Chen, Qianmu Yuan, Yuedong Yang |
| 2025 | AAAI | Advancing Retrosynthesis with Retrieval-Augmented Graph Generation. | Anjie Qiao, Zhen Wang, Jiahua Rao, Yuedong Yang, Zhewei Wei |
| 2025 | CVPR | Multi-modal Contrastive Learning with Negative Sampling Calibration for Phenotypic Drug Discovery. | Jiahua Rao, Hanjing Lin, Leyu Chen, Jiancong Xie, Shuangjia Zheng, Yuedong Yang |
| 2025 | ICML | Quadruple Attention in Many-body Systems for Accurate Molecular Property Predictions. | Jiahua Rao, Dahao Xu, Wentao Wei, Yicong Chen, Mingjun Yang, Yuedong Yang |
| 2025 | KDD | Incorporating Retrieval-based Causal Learning with Information Bottlenecks for Interpretable Molecular Graph Learning. | Jiahua Rao, Hanjing Lin, Jiancong Xie, Zhen Wang, Shuangjia Zheng, Yuedong Yang |
| 2022 | IJCAI | Communicative Subgraph Representation Learning for Multi-Relational Inductive Drug-Gene Interaction Prediction. | Jiahua Rao, Shuangjia Zheng, Sijie Mai, Yuedong Yang |
| 2021 | IJCAI | Learning Attributed Graph Representation with Communicative Message Passing Transformer. | Jianwen Chen, Shuangjia Zheng, Ying Song, Jiahua Rao, Yuedong Yang |