Siyuan Liu

Researcher, ByteDance Inc.

Joined

September 2023

Names

Siyuan Liu (Preferred)

Emails

****@gmail.com (Confirmed)

****@dp.tech (Confirmed)

****@outlook.com (Confirmed)

****@bytedance.com (Confirmed)

Personal Links

ORCID

Career & Education History

Researcher

ByteDance Inc. (bytedance.com)

2024 – Present

Researcher

DP Technology (dp.tech)

2023 – 2024

PhD student

Microsoft (microsoft.com)

2017 – 2022

PhD student

SUN YAT-SEN UNIVERSITY (sysu.edu.cn)

2017 – 2022

Undergrad student

SUN YAT-SEN UNIVERSITY (sysu.edu.cn)

2013 – 2017

Advisors, Relations & Conflicts

No relations added

Expertise

AI for Science

Present

Equivariant Neural Networks

Present

Quantum Chemistry

Present

Density Functional Theory

Present

Publications

Towards a Transferable Acceleration Method for Density Functional Theory
Zhe Liu, Yuyan Ni, Zhichen Pu, Qiming Sun, Siyuan Liu, Wen Yan
- ICLR 2026 Poster
- Readers: Everyone
Beyond Atoms: Enhancing Molecular Pretrained Representations with 3D Space Modeling
Shuqi Lu, Xiaohong Ji, Bohang Zhang, Lin Yao, Siyuan Liu, Zhifeng Gao, Linfeng Zhang, Guolin Ke
- ICML 2025 poster
- Readers: Everyone
More Space Is All You Need: Revisiting Molecular Representation Learning
Shuqi Lu, Xiaohong Ji, Lin Yao, Siyuan Liu, Bohang Zhang, Zhifeng Gao, Linfeng Zhang, Guolin Ke
- ICLR 2025 Conference Withdrawn Submission
- Readers: Everyone
Self-Consistency Training for Density-Functional-Theory Hamiltonian Prediction
He Zhang, Chang Liu, Zun Wang, Xinran Wei, Siyuan Liu, Nanning Zheng, Bin Shao, Tie-Yan Liu
- ICML 2024 Poster
- Readers: Everyone
Overcoming the barrier of orbital-free density functional theory for molecular systems using deep learning
He Zhang, Siyuan Liu, Jiacheng You, Chang Liu, Shuxin Zheng, Ziheng Lu, Tong Wang, Nanning Zheng, Bin Shao
- Nat. Comput. Sci. 2024
- Readers: Everyone
End-to-End Crystal Structure Prediction from Powder X-Ray Diffraction
Qingsi Lai, Lin Yao, Zhifeng Gao, Siyuan Liu, Hongshuai Wang, Shuqi Lu, Di He, Liwei Wang, Cheng Wang, Guolin Ke
- CoRR 2024
- Readers: Everyone
Self-Consistency Training for Hamiltonian Prediction
He Zhang, Chang Liu, Zun Wang, Xinran Wei, Siyuan Liu, Nanning Zheng, Bin Shao, Tie-Yan Liu
- CoRR 2024
- Readers: Everyone
Phi-Former: A Pairwise Hierarchical Approach for Compound-Protein Interaction Prediction
ZHE WANG, Siyuan Liu, Chun Cai, Zijing Liu, Chencheng Xu, Jia Li, Yuan Yao
- ICLR 2024 Conference Withdrawn Submission
- Readers: Everyone
M-OFDFT: Overcoming the Barrier of Orbital-Free Density Functional Theory for Molecular Systems Using Deep Learning
He Zhang, Siyuan Liu, Jiacheng You, Chang Liu, Shuxin Zheng, Ziheng Lu, Tong Wang, Nanning Zheng, Bin Shao
- CoRR 2023
- Readers: Everyone
Improved drug-target interaction prediction with intermolecular graph transformer
Siyuan Liu, Yusong Wang, Yifan Deng, Liang He, Bin Shao, Jian Yin, Nanning Zheng, Tie-Yan Liu, Tong Wang
- 2022 (modified: 01 Nov 2022)
- Briefings Bioinform. 2022
- Readers: Everyone

View all 13 publications

Co-Authors

View all 49 co-authors