2 papers
cond-mat.mtrl-sci2026
GPUMDkit: A User-Friendly Toolkit for GPUMD and NEP
Zihan Yan, Denan Li, Xin Wu +20
Machine-learned interatomic potentials have revolutionized molecular dynamics simulations by providing quantum-mechanical accuracy at empirical-potential speeds. The graphics proce…
stat.ML2024
Error estimates between SGD with momentum and underdamped Langevin diffusion
Arnaud Guillin, Yu Wang, Lihu Xu +1
Stochastic gradient descent with momentum is a popular variant of stochastic gradient descent, which has recently been reported to have a close relationship with the underdamped La…