Fig. 5: Element contribution to property prediction as a function of composition.
From: Compositionally restricted attention-based network for materials property predictions
Model predictions over the SixO1−x system using a model trained on the aflow__Egap data. The x-axis is the fractional amount of Si. The y-axis shows the predicted band gap value at a given composition. The blue and red lines are the individual element contributions to the prediction, as predicted by CrabNet. The gray shading represents the aleatoric uncertainty for each prediction.
