Table 2. Ten-times tenfold cross-validation results provided by the KRR model in predicting formation energy.
| Model | R 2 | MAE (eV per atom) | RMSE (eV per atom) |
|---|---|---|---|
| Kernel ridge | 0.990 (1) | 0.094 (2) | 0.137 (1) |
Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.