Publications

( $^*$ indicates equal contribution. )

1. LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion.
   Jiaqi Guan, Xingang Peng, Peiqi Jiang, Yunan Luo, Jian Peng, Jianzhu Ma.
   In 37th Conference on Neural Information Processing Systems (NeurIPS) 2023. Spotlight.
2. DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design.
   Jiaqi Guan$^*$, Xiangxin Zhou$^*$, Yuwei Yang, Yu Bao, Jian Peng, Jianzhu Ma, Qiang Liu, Liang Wang, Quanquan Gu.
   In 30th International Conference on Machine Learning (ICML) 2023.
3. MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation.
   Xingang Peng, Jiaqi Guan, Qiang Liu, Jianzhu Ma.
   In 30th International Conference on Machine Learning (ICML) 2023.
4. 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction.
   Jiaqi Guan$^*$, Wesley Wei Qian$^*$, Xingang Peng, Yufeng Su, Jian Peng, Jianzhu Ma.
   In 11th International Conference on Learning Representations (ICLR) 2023.
5. Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets.
   Xingang Peng, Shitong Luo, Jiaqi Guan, Qi Xie, Jian Peng, Jianzhu Ma.
   In 29th International Conference on Machine Learning (ICML) 2022.
6. Equivariant Point Cloud Analysis via Learning Orientations for Message Passing.
   Shitong Luo$^*$, Jiahan Li$^*$, Jiaqi Guan$^*$, Yufeng Su, Chaoran Cheng, Jian Peng, Jianzhu Ma.
   In Conference on Computer Vision and Pattern Recognition (CVPR) 2022. Oral Presentation.
7. Energy-Inspired Molecular Conformation Optimization.
   Jiaqi Guan$^*$, Wesley Wei Qian$^*$, Qiang Liu, Wei-Ying Ma, Jianzhu Ma, Jian Peng.
   In 10th International Conference on Learning Representations (ICLR) 2022.
8. A 3D Generative Model for Structure-Based Drug Design.
   Shitong Luo, Jiaqi Guan, Jianzhu Ma, Jian Peng.
   In 35th Conference on Neural Information Processing Systems (NeurIPS) 2021.
9. Generative Hybrid Representations for Activity Forecasting with No-Regret Learning.
   Jiaqi Guan, Ye Yuan, Kris M. Kitani, Nicholas Rhinehart.
   In Conference on Computer Vision and Pattern Recognition (CVPR) 2020. Oral Presentation.
10. A Method for Generating Synthetic Electronic Medical Record Text.
    Jiaqi Guan, Runzhe Li, Sheng Yu, Xuegong Zhang.
    In IEEE/ACM transactions on computational biology and bioinformatics (TCBB).
11. Generation of Synthetic Electronic Medical Record Text.
    Jiaqi Guan, Runzhe Li, Sheng Yu, Xuegong Zhang.
    In IEEE International Conference on Bioinformatics and Biomedicine (BIBM) 2018.
12. Energy-efficient Amortized Inference with Cascaded Deep Classifiers.
    Jiaqi Guan, Yang Liu, Qiang Liu, Jian Peng.
    In 27th International Joint Conference on Artificial Intelligence (IJCAI) 2018.