Fig. 1: Benchmark of the short-range and long-range models on the system of point charges.
From: Machine learning of charges and long-range interactions from energies and forces
a A configuration of gas made of point charges. The red and the blue colors refer to particles with +1e and -1e charges, respectively. b Comparison of the true and the predicted charges for the Cartesian atomic cluster expansion (CACE) long-range (CACE-LR) models with a cutoff radius rcut of 4 Å and trained on N configurations. c The mean absolute errors (MAEs) on energy (E), forces (F), and charges for short-range (SR) and long-range (LR) models trained using different N numbers of samples.
