Publications论文

In reverse chronological order. * denotes equal contribution.按时间倒序排列，* 表示同等贡献。

2026

  1. NeurIPS
    matching-while-decoding.png
    Matching-while-Decoding: Enhancing Template-Free Retrosynthesis via Explicit Structural Alignment
    Kaipeng Zeng, Jiarui Shen, Yi Jiang, Shiyue Wang, Lin Yao, Tong Zhu, and Junchi Yan
    In Advances in Neural Information Processing Systems (NeurIPS), 2026
  2. arXiv
    physecd.png
    PhysECD: A Physics-Constrained E(3)-Equivariant Framework for Electronic Circular Dichroism Spectrum Prediction
    Yi Jiang*, Letian Chen*, Runhan Shi, Liangzhaoxuan Han, Tong Zhu, and Yang Yang
    arXiv preprint arXiv:2608.21892, Aug 2026
    arXiv