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. 2018 Sep 24;9:3887. doi: 10.1038/s41467-018-06169-2

Fig. 2.

Fig. 2

Data efficiency gains using sGDML vs. GDML. Energy and force prediction accuracy (in terms of the mean absolute error (MAE)) as a function of training set size of both models trained on DFT forces: the gain in efficiency and accuracy is directly linked to the number of symmetries in the system