Structure-Property Maps with Kernel Principal Covariates Regression.

Benjamin A. Helfrecht Rose K. Cersonsky Guillaume Fraux Michele Ceriotti

Published in: CoRR (2020)

Keyphrases

regression model
kernel regression
support vector
logistic regression
hierarchical structure
reproducing kernel hilbert space
sparse kernel
feature vectors
model selection
kernel methods
canonical correlation analysis
regression coefficients