Fig. 3: RMSE validation errors for as a function of the number of degrees of freedom for different types of models trained and tested on distinct random samples from their respective dataset.
From: Training data selection for accuracy and transferability of interatomic potentials
A EM set; B DE set. Each model form and complexity shows a saturation of the validation errors indicated by the solid horizontal line. Slight improvement in NN predictions is seen with increasing D.
