Fig. 4 | Nature Communications

Fig. 4

From: Statistical learning goes beyond the d-band model providing the thermochemistry of adsorbates on transition metals

Fig. 4

Accuracy assessment of PCA and PCR. a Error distribution and b cumulative errors for the PCA, taking the DFT data of the 71 molecules on the 12 metals. c, d The corresponding values for PCR-L1O, using only O*, *OH, and *CCHOH as predictors, and leaving-one-metal-out of the pool (L1O). The inset shows the size of the corresponding input (red) and output (green) energy matrices

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