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. 2022 May 6;8(18):eabm7185. doi: 10.1126/sciadv.abm7185

Table 1. The training and testing set MAE of the KRR regression models and the linear regression models for the formation energy (Ef) and bandgap energy (Ebg).

The score for the bilinear model using the measure used in the NOMAD competition is 0.079 and 0.020 for the Ebg and Ef, respectively.

MAE (eV per cation)
E f E bg
Model Train Test Train Test
KRR 0.011 0.015 0.088 0.107
Linear 0.022 0.022 0.143 0.143
Bilinear 0.013 0.015 0.085 0.105
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