Huiyu CAI 蔡辉宇

I am a third-year PhD candidate at Mila - Quebec AI Institute and Department of Computer Science and Operations Research, University of Montreal, supervised by Prof. Jian Tang. I graduated from the Department of Machine Intelligence, Peking University as an Excellent Graduate in Beijing. I was previously a member of the Language Computing and Web Mining Group, led by Prof. Xiaojun Wan.

I am interested in deep generative models, geometric deep learning and their wide applications, such as biomolecular interaction modeling, drug discovery, single-cell data analysis, etc.

Feel free to reach out (links at webpage footer)!

Publications

2023

• E3Bind: An End-to-End Equivariant Network for Protein-Ligand Docking
  ICLR, 2023
  Yangtian Zhang*, Huiyu Cai*, Chence Shi, Jian Tang *Equal contribution

• GearBind: A Geometric Graph Neural Network for Protein-Ligand Binding Affinity Prediction
  In submission, 2023
  Huiyu Cai*, Zuobai Zhang*, Mingkai Wang*, Bozitao Zhong*, Yanling Wu, Tianlei Ying, Jian Tang *Equal contribution

2022

• Neural Structured Prediction for Inductive Node Classification
  ICLR, 2022 (oral)
  Meng Qu, Huiyu Cai, Jian Tang *Equal contribution

• Structured Multi-task Learning for Molecular Property Prediction
  AISTATS, 2022
  Shengchao Liu, Meng Qu, Zuobai Zhang, Huiyu Cai, Jian Tang

2021 and before

• Learning interpretable cellular and gene signature embeddings from single-cell transcriptomic data
  Nature Communications, 2021  code
  Yifan Zhao*, Huiyu Cai*, Zuobai Zhang, Jian Tang, Yue Li
  *Equal contribution

• Multi-Modal Sarcasm Detection in Twitter with Hierarchical Fusion Model
  ACL, 2019  data
  Yitao Cai, Huiyu Cai, Xiaojun Wan

Projects

• TorchDrug: A powerful and flexible machine learning platform for drug discovery (Nov. 2021 - now)
• Implementation of the EWLS Algorithm for the Maximum Clique Problem (Dec. 2020 - Jan. 2021)
• Music Source Separation: Theory and Applications (Apr. 2020 - Jun. 2020)
• Raiden Game Implementation in Java (Jan. 2020 - Jun. 2020)
• Fine-grained Face Manipulation via DLGAN (Oct. 2019 - Jan. 2020)
• Bird Sound Classification with CNN (Mar. 2019 - Jun. 2019)
• Mahjong AI Based on Deep Supervised Learning (Mar. 2019 - Jun. 2019)
• Rule-based Doudizhu & Ataxx & Reversi & pysc2-minimap AI (Oct. 2017 - May. 2019)