Ke Liu

Ph.D. Candidate

State Key Lab of CAD & CG
Center for Data Science
College of Computer Science and Technology
Zhejiang University
Zhejiang, China. 310058.

Github: zjuKeLiu & Gitee
Scholar: Google scholar
Email: kliu ατ zju δατ edu δατ cn

Biography

I'm currently a fourth-year Ph.D student of the College of Computer Science and Technology at Zhejiang University, fortunately advised by Prof. Chunhua Shen, and scheduled to graduate in 2026. Before that I got my bachelor's degree from Zhejiang University in july, 2021 majoring in Automation and minoring in Advanced-honor Class of Engineering Education(ACEE), Chu Kochen honors College(CKC). Before I got to Zhejiang University, all my life was spent in my hometown, Chendu, Sichuan province.

Research Interests

AI for science, protein design, material discovery, and Computer Vision I focus on Molecule Artificial Intelligence, including crystals for inorganic materials, small molecules for drug, and biomolecules (Protein, RNA, DNA). More research can be found here.

News

Selected Publications

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]

UAI'23
    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]

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]

Full publication list

Useful Links

Last updated on Nov 29th, 2024.