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. 2021 Feb 19;11:4244. doi: 10.1038/s41598-021-83193-1

Figure 4.

Figure 4

Prediction error analysis for formation enthalpy in JARVIS using different model input for 17-layer IRNet. We use the prediction errors on the hold-out test set using a random 9:1 train:test split. The first three subplots represent the prediction errors on the hold-out test set using three different model inputs for IRNet: C (composition-derived 145 physical attributes), S (126 structure-derived attributes using Voronoi tesselation) and C+S (145 physical attributes+126 structural attributes); the last subplot contains the CDF of the prediction errors for the three model inputs for IRNet.