Equivariant Diffusion for Crystal Structure Prediction
等价扩散用于晶体结构预测
机构 * School of Computer Science ; Engineering, Sun Yat-sen University, Guangzhou, China ; National Supercomputer Center in Guangzhou, China ; Dept. of Comp. Sci. \& Tech., Institute for AI, Tsinghua University, Beijing, China ; Institute for AIR, Tsinghua University, Beijing, China ; Gaoling School of Artificial Intelligence, Renmin University of China, Beijing, China ; Beijing Key Laboratory of Big Data Management ; Analysis Methods, Beijing, China
AI总结 EquiCSP通过等价扩散模型解决晶体结构预测中的对称性问题,提升生成结构的准确性并加快训练收敛速度。
Comments ICML 2024