Fig. 2: Iterative training for accurate prediction across composition space of binary alloy. | npj Computational Materials

Fig. 2: Iterative training for accurate prediction across composition space of binary alloy.

From: Electronic structure prediction of medium and high entropy alloys across composition space

Fig. 2

a Error in ρ prediction for SixGe1−x, where the model was trained using only x = 0.50 and tested on all x ≠ 0.50. b Error in ρ prediction for SixGe1−x, where the model was trained using x = 0, 0.50, 1.00 and tested at other compositions. The error across the entire composition space reduces significantly with the addition of only two extra training compositions. : Training, : Testing.

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