Stochastic Hessian-vector product matching augments force matching to instill second-order curvature into coarse-grained molecular dynamics potentials, outperforming force matching on slow-mode metrics for 8 of 9 test proteins.
Deep coarse-grained potentials via relative entropy minimization.The Journal of Chemical Physics, 157(24):244103, December 2022
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cs.LG 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Hessian Matching for Machine-Learned Coarse-Grained Molecular Dynamics
Stochastic Hessian-vector product matching augments force matching to instill second-order curvature into coarse-grained molecular dynamics potentials, outperforming force matching on slow-mode metrics for 8 of 9 test proteins.