8 citations · 8 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2025
EDBench: Large-Scale Electron Density Data for Molecular Modeling
Hongxin Xiang, Ke Li, Mingquan Liu +7
Existing molecular machine learning force fields (MLFFs) generally focus on the learning of atoms, molecules, and simple quantum chemical properties (such as energy and force), but…
cs.LG2024★ 8 cited
Multi-Fidelity Methods for Optimization: A Survey
Ke Li, Fan Li
Real-world black-box optimization often involves time-consuming or costly experiments and simulations. Multi-fidelity optimization (MFO) stands out as a cost-effective strategy tha…