Fig. 2 | npj Computational Materials

Fig. 2

From: Fast, accurate, and transferable many-body interatomic potentials by symbolic regression

Fig. 2

Pareto frontiers of interatomic potentials for copper. No model has less error and is less complex than a model in the Pareto frontier. The orange dashed line was the Pareto frontier before the development of GP1 and GP2, and the blue dashed line is the new Pareto frontier. The percent error for each model was evaluated against the model’s own target values, described in the Supplementary Information. Complexity was measured by the number of nodes in the tree representation of the model. As the smoothing function for some models is unknown, to construct this plot each smoothing function was counted as 2 nodes, representing the smoothing function and a multiplication operation. Sources: SC,79 ABCHM,58 Cu1,58 EAM1,54 EAM2,54 Cu2,80 Cuu6,81 Cuu356 and CuNi.55 The interatomic potentials were found in the Interatomic Potentials Repository.82 GP1 and GP2 were developed in this work

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