Lin, Yuchao
- Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
2023/07/17 by Xuan Zhang, Limei Wang, Zhang, Xuan +123 · 1 voice · 17 citations
#cs.LG #physics.comp-ph
- Periodic Graph Transformers for Crystal Material Property Prediction
2022/09/23 by Keqiang Yan, Yi Liu, Yan, Keqiang +5 · 13 citations
Materials Science · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography
- Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction
2023/06/12 by Lin, Yuchao, Yan, Keqiang, Luo, Youzhi +3 · 6 citations
#Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG)
- ComENet: Towards Complete and Efficient Message Passing for 3D Molecular Graphs
2022/06/17 by Wang, Limei, Liu, Yi, Lin, Yuchao +2 · 4 citations
#FOS: Computer and information sciences #Machine Learning (cs.LG)
- Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency
2024/06/11 by Lin, Yuchao, Helwig, Jacob, Gui, Shurui +1 · 4 citations
#FOS: Computer and information sciences #Machine Learning (cs.LG)
- Geometry Informed Tokenization of Molecules for Language Model Generation
2024/08/19 by Xiner Li, Limei Wang, Li, Xiner +13 · 2 citations
Computer Science · #Model-Driven Software Engineering Techniques
- SineNet: Learning Temporal Dynamics in Time-Dependent Partial Differential Equations
2024/03/28 by Xuan Zhang, Zhang, Xuan, Jacob Helwig +11 · 1 citation
Physics and Astronomy · #FOS: Computer and information sciences #Machine Learning (cs.LG) #Model Reduction and Neural Networks
- Efficient Prediction of SO(3)-Equivariant Hamiltonian Matrices via SO(2) Local Frames
2025/06/11 by Haiyang Yu, Yu, Haiyang, Xuan Zhang +6 · 3 citations
Materials Science · Computer Science · Physics and Astronomy · #Machine Learning in Materials Science #Advanced Graph Neural Networks #Quantum many-body systems