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physics.comp-ph2015★ 3 cited
Understanding Kernel Ridge Regression: Common behaviors from simple functions to density functionals
Kevin Vu, John Snyder, Li Li +5
Accurate approximations to density functionals have recently been obtained via machine learning (ML). By applying ML to a simple function of one variable without any random samplin…
physics.comp-ph2011★ 662 cited
Finding Density Functionals with Machine Learning
John C. Snyder, Matthias Rupp, Katja Hansen +2
Machine learning is used to approximate density functionals. For the model problem of the kinetic energy of non-interacting fermions in 1d, mean absolute errors below 1 kcal/mol on…