Fig. 4: Challenging property pairs shown by the Pareto fronts. | npj Computational Materials

Fig. 4: Challenging property pairs shown by the Pareto fronts.

From: Learning from models: high-dimensional analyses on the performance of machine learning interatomic potentials

Fig. 4

The scatter plots of the MLIP models for two property errors: a |\(\Delta {NAC}(|{\delta }_{{\rm{F}}}|,{{\mathcal{D}}}^{{\rm{RE}}-{\rm{I}}})\)| versus \(|\delta {E}_{{\rm{f}}}^{{\rm{tetrahedral}}}|\), and b \(|\delta {C}_{11}^{{\rm{hexagonal}}}|\) versus \(|\delta {E}_{{\rm{f}}}^{{\rm{vacancy}}}|\), with the Pareto fronts shown in the black lines. The benchmarks of the property error are shown in red dashed lines.

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