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 |