Yuchao Lin
- Ph.D. Student, Texas A&M University
- kruskallin@tamu.edu
I am a Ph.D. student at Texas A&M University supervised by Prof. Shuiwang Ji at DIVE lab. Before that, I was a research assistant at Nanjing University advised by Prof. Yang Yu. My research interest is in the broad application of invariant and equivariant geometric graph learning for 3D atomic systems.
Research Interests:
Artificial Intelligence for Science | Geometric Graph Neural Networks
Research Interests:
Artificial Intelligence for Science | Geometric Graph Neural Networks
Publications
- Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency. Yuchao Lin, Jacob Helwig, Shurui Gui, and Shuiwang Ji. Proceedings of the 41th International Conference on Machine Learning, (ICML 2024 Spotlight [3.5% Acceptance Rate]). [pdf] [code]
- SineNet: Learning Temporal Dynamics in Time-Dependent Partial Differential Equations. Xuan Zhang, Jacob Helwig, Yuchao Lin, Yaochen Xie, Cong Fu, Stephan Wojtowytsch, Shuiwang Ji. Proceedings of the 41th International Conference on Machine Learning, (ICLR 2024). [pdf] [code]
- Genetic InfoMax: Exploring Mutual Information Maximization in High-Dimensional Imaging Genetics Studies. Yaochen Xie, Yuchao Lin, Ziqian Xie, Sheikh Muhammad Saiful Islam, Degui Zhi, Shuiwang Ji. Transactions on Machine Learning Research, (TMLR). [pdf]
- Large Scale Benchmark of Materials Design Methods. Kamal Choudhary, Daniel Wines, Kangming Li, ..., Keqiang Yan, Yuchao Lin, Shuiwang Ji, ..., Adam J. Biacchi, Francesca Tavazza. (npj Computational Materials). [pdf]
- Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction. Yuchao Lin, Keqiang Yan, Youzhi Luo, Yi Liu, Xiaoning Qian, and Shuiwang Ji. Proceedings of the 40th International Conference on Machine Learning, (ICML 2023). [pdf] [code] [math overview]
- ComENet: Towards Complete and Efficient Message Passing for 3D Molecular Graphs. Limei Wang*, Yi Liu*, Yuchao Lin, Haoran Liu, and Shuiwang Ji. The 36th Annual Conference on Neural Information Processing Systems, (NeurIPS 2022). [pdf] [code]
- Periodic Graph Transformers for Crystal Material Property Prediction. Keqiang Yan, Yi Liu, Yuchao Lin, and Shuiwang Ji. Thirty-sixth Conference on Neural Information Processing Systems, (NeurIPS 2022). [pdf] [code]
- Spherical Message Passing for 3D Molecular Graphs. Yi Liu*, Limei Wang*, Meng Liu, Yuchao Lin, Xuan Zhang, Bora Oztekin, and Shuiwang Ji. International Conference on Learning Representations, (ICLR 2022). [pdf] [code]
Preprints
- Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems. Xuan Zhang, Limel Wang, Jacob Helwig, Youzhi Luo, Cong Fu, Yaochen Xie, Meng Liu, Yuchao Lin, Zhao Xu, ..., Tess Smidt, Shuiwang Ji. [pdf] [code]