Table 6. Prediction Performance Comparison with Baselines.
| algorithm | R2 | MAE | RMSE |
|---|---|---|---|
| SVR with Magpie | 0.560 ± 0.013 | 1.063 ± 0.021 | 1.969 ± 0.063 |
| DNN with Magpie | 0.691 ± 0.022 | 0.825 ± 0.030 | 1.678 ± 0.053 |
| RF with Magpie | 0.732 ± 0.017 | 0.802 ± 0.021 | 1.559 ± 0.055 |
| SVR with enhanced Magpie | 0.602 ± 0.016 | 1.023 ± 0.022 | 1.886 ± 0.065 |
| DNN with enhanced Magpie | 0.706 ± 0.015 | 0.739 ± 0.033 | 1.625 ± 0.047 |
| RF with enhanced Magpie | 0.830 ± 0.025 | 0.512 ± 0.029 | 1.227 ± 0.114 |
| SVR with element_atom_no_stat + enhanced Magpie | 0.951 ± 0.009 | 0.316 ± 0.005 | 0.656 ± 0.063 |
| DNN with element_atom_no_stat + enhanced Magpie | 0.960 ± 0.015 | 0.246 ± 0.029 | 0.592 ± 0.124 |
| RF with element_atom_no_stat + enhanced Magpie | 0.973 ± 0.007 | 0.144 ± 0.005 | 0.484 ± 0.076 |