Yuchao Lin
- Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
2023/07/17 by Xuan Zhang, Limei Wang, Zhang, Xuan +123 · 1 voice · 21 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 · 15 citations
Materials Science · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography
- ComENet: Towards Complete and Efficient Message Passing for 3D Molecular Graphs
2022/06/17 by Limei Wang, Yi Liu, Wang, Limei +7 · 8 citations
Computer Science · Engineering · Materials Science · #Advanced Graph Neural Networks #FOS: Computer and information sciences #Hydrocarbon exploration and reservoir analysis #Machine Learning (cs.LG) #Machine Learning in Materials Science
- Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction
2023/06/12 by Yuchao Lin, Keqiang Yan, Lin, Yuchao +9 · 9 citations
Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Topic Modeling #X-ray Diffraction in Crystallography
- SineNet: Learning Temporal Dynamics in Time-Dependent Partial Differential Equations
2024/03/28 by Xuan Zhang, Zhang, Xuan, Jacob Helwig +11 · 2 citations
Physics and Astronomy · #FOS: Computer and information sciences #Machine Learning (cs.LG) #Model Reduction and Neural Networks
- Geometry Informed Tokenization of Molecules for Language Model Generation
2024/08/19 by Xiner Li, Li, Xiner, Limei Wang +13 · 2 citations
Computer Science · #Model-Driven Software Engineering Techniques