Table 1 Mean absolute error for the different ML models excluding a class of charge carrier type from training, testing, or validation set The mean absolute error for the predicted log(conductivities) of the excluded charge carrier class is also shown. The predicted conductivities are maximum one order of magnitude off for the ionic and ionic–electronic conductors and about two orders of magnitude off for the electronic conductors.

From: Accelerated design and discovery of perovskites with high conductivity for energy applications through machine learning

Excluded class

Mean absolute error test set

Mean absolute error validation set

Mean absolute error excluded class

H

0.097

0.086

0.904

O

0.099

0.110

1.275

H + E

0.124

0.104

1.381

O + E

0.134

0.107

0.648

O + H

0.106

0.105

0.396

E

0.109

0.103

2.535