Table 2. Predictive Squared Correlation Coefficients and Mean Absolute Error for the Test Set of Multiple Regression.
|
R2test | |||
|---|---|---|---|
| site | Pt+Pt3Co | Pt+Pt3Ni | Pt+Pt3Cu |
| on-top | 0.929 ± 0.039 | 0.950 ± 0.016 | 0.767 ± 0.078 |
| bridge | 0.887 ± 0.036 | 0.908 ± 0.027 | 0.920 ± 0.035 |
| three-fold fcc hollow | 0.864 ± 0.033 | 0.804 ± 0.082 | 0.852 ± 0.059 |
| three-fold hcp hollow | 0.928 ± 0.019 | 0.917 ± 0.035 | 0.900 ± 0.017 |
| MAE
(meV) | |||
|---|---|---|---|
| site | Pt+Pt3Co | Pt+Pt3Ni | Pt+Pt3Cu |
| on-top | 47.34 ± 10.28 | 41.19 ± 5.68 | 82.77 ± 16.37 |
| bridge | 28.60 ± 2.37 | 29.70 ± 7.37 | 43.85 ± 14.36 |
| three-fold fcc hollow | 28.74 ± 4.11 | 28.05 ± 5.07 | 22.12 ± 4.78 |
| three-fold hcp hollow | 25.40 ± 5.11 | 22.04 ± 4.21 | 22.14 ± 2.19 |