Ontology highlight
ABSTRACT:
SUBMITTER: Ahmad M
PROVIDER: S-EPMC6728065 | biostudies-literature | 2019 Apr
REPOSITORIES: biostudies-literature
Journal of chemical theory and computation 20190306 4
A new method termed "Relative Principal Components Analysis" (RPCA) is introduced that extracts optimal relevant principal components to describe the change between two data samples representing two macroscopic states. The method is widely applicable in data-driven science. Calculating the components is based on a physical framework that introduces the objective function (the Kullback-Leibler divergence) appropriate for quantifying the change of the macroscopic state affected by the changes in t ...[more]