Reactive molecular dynamics models from ab initio molecular dynamics data using relative entropy minimization.
Sign Up to like & getrecommendations! Published in 2017 at "Chemical physics letters"
DOI: 10.1016/j.cplett.2017.04.064
Abstract: We present two new multiscale molecular dynamics (MS-RMD) models for the hydrated excess proton in water developed directly from ab initio molecular dynamics (AIMD) simulation data of the same system. The potential of mean force… read more here.
Keywords: entropy minimization; relative entropy; initio molecular; molecular dynamics ... See more keywords
Entropy Minimization vs. Diversity Maximization for Domain Adaptation
Sign Up to like & getrecommendations! Published in 2021 at "IEEE transactions on neural networks and learning systems"
DOI: 10.1109/tnnls.2021.3110109
Abstract: Entropy minimization has been widely used in unsupervised domain adaptation (UDA). However, existing works reveal that the use of entropy-minimization-only may lead to collapsed trivial solutions for UDA. In this article, we try to seek… read more here.
Keywords: entropy minimization; minimization; domain adaptation; diversity maximization ... See more keywords