no code implementations • 20 Jun 2018 • Justus T. C. Schwabedal, John C. Snyder, Ayse Cakmak, Shamim Nemati, Gari. D. Clifford
To quantify how well the distributions of the surrogates and the original data match, we evaluated a trained classifier on surrogates of correctly classified examples, and summarized these conditional predictions in a confusion matrix.
no code implementations • 4 Apr 2014 • Li Li, John C. Snyder, Isabelle M. Pelaschier, Jessica Huang, Uma-Naresh Niranjan, Paul Duncan, Matthias Rupp, Klaus-Robert Müller, Kieron Burke
Kernel ridge regression is used to approximate the kinetic energy of non-interacting fermions in a one-dimensional box as a functional of their density.
no code implementations • 7 Jun 2013 • John C. Snyder, Matthias Rupp, Katja Hansen, Leo Blooston, Klaus-Robert Müller, Kieron Burke
Machine learning is used to approximate the kinetic energy of one dimensional diatomics as a functional of the electron density.