Fig. 9: The plot of learning history on full OQMD database. | Communications Materials

Fig. 9: The plot of learning history on full OQMD database.

From: A geometric-information-enhanced crystal graph network for predicting properties of materials

Fig. 9

a Red line shows the MAE of training set in the learning process of 449,506 \({E}_{{{{{{\rm{f}}}}}}}\) training data. Blue line shows the MAE of validation set in the training process of 56,188 \({E}_{{{{{{\rm{f}}}}}}}\) validation data. b The learning history of 24,296 \({E}_{{{{{{\rm{g}}}}}}}\) training data and 3,036 \({E}_{{{{{{\rm{g}}}}}}}\) validation data.

Back to article page