Fig. 3 | npj Computational Materials

Fig. 3

From: Construction of ground-state preserving sparse lattice models for predictive materials simulations

Fig. 3

a Cross-validation (cv) score cv μ plotted as function of the sparseness parameter μ for the example of the Li x Fe(1−x)O system for various numbers of input clusters. The optimal μ minimizes the cv score. b, c Optimal cv score for different numbers of input clusters as determined using the QP methodology and the conventional weight adjustment scheme for (b) Li x Fe(1−x)O and (c) Li x Ti(1−x)O

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