MoAI @ ZJU

Biomolecule Design (Protein, RNA, DNA)

ICML'24
    Floating Anchor Diffusion Model for Multi-motif Scaffolding
    Ke Liu, Shuaike Shen, Weian Mao, Xiaoran Jiao, Zheng Sun, Hao Chen, Chunhua Shen.
    Proc. International Conference on Machine Learning (ICML'24), 2024.
    [code] [paper] [bib] [Project Page]

Material Discovery

IJCAI'22
    S2SNet: A Pretrained Neural Network for Superconductivity Discovery
    Ke Liu, Kaifan Yang, Jiahong Zhang, Rux Xu.
    Proc. International Joint Conference on Artificial Intelligence (IJCAI'22), 2022.
    [code] [paper] [bib]

IJCNN'23
    PCVAE: a Physics-Informed Neural Network for Determining the Symmetry and Geometry of Crystals
    Ke Liu, Shangde Gao, Kaifan Yang, Yuqiang Han.
    Proc. International Joint Conference on Neural Networks (IJCNN'23) 2023.
    (Oral presentation)
    [code] [paper] [bib]

Drug Discovery

BioEng
    Low-Data Drug Design with Few-Shot Generative Domain Adaptation
    Ke Liu, Yuqiang Han, Zhichen Gong, Hongxia Xu.
    BioEngineering.
    [code] [paper] [bib]

Computer Vision

UAI'24
    Group Equivariant Vision Transformer
    Rux Xu*, Kaifan Yang*, Ke Liu*✉️, Fengxiang He.
    Proc. Conference on Uncertainty in Artificial Intelligence (UAI'23), 2023.
    [code] [paper] [bib]

Info Sci
    Collaborative knowledge amalgamation: Preserving discriminability and transferability in unsupervised learning
    Shangde Gao*, Yichao Fu*, Ke Liu*, Wei Gao, Hongxia Xu, Jian Wu, Yuqiang Han
    Information Sciences
    [paper] [bib]
* denotes equal contricbution, ✉️ denotes corresponding author.

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