矩张量机器学习势模型的发展与应用
陈星秋1(
), 王建韬1,2, 刘培涛1()
), 王建韬1,2, 刘培涛1()
Moment Tensor Machine-Learning Potential: Development and Applications
CHEN Xing-Qiu1(), WANG Jiantao1,2, LIU Peitao1()
), WANG Jiantao1,2, LIU Peitao1()
图5. 结合主动学习采样方法的矩张量势(MTP)模型开发流程
Fig.5. Workflow of developing a (MTP) model combined with active learning sampling method (γ(x*)—extrapolation grade for configuration x*, γthr—grade threshold)
