Table 1 Performance of MACE-MP-f4 10%, ACE-f 10%, and from-scratch (f-s) ACE and MACE models
From: Fine-tuning foundation models of materials interatomic potentials with frozen transfer learning
Property | MACE-MP-f | ACE-f | ACE | MACE |
|---|---|---|---|---|
10% | 10% | (f-s) | (f-s) | |
MAE (E) | 6.7 | 4.8 | 8.6 | 11.3 |
RMSE (E) | 13.5 | 6.4 | 13.7 | 15.8 |
MAE (F) | 3.1 | 7.2 | 10.4 | 8.1 |
RMSE (F) | 10.1 | 10.9 | 18.2 | 12.9 |
MAE (H-atom F) | 4.3 | 9.0 | 28.5 | 17.7 |
RMSE (H-atom F) | 17.1 | 17.7 | 47.6 | 32.4 |
teval (E) | 372.6 | 9.6 | 9.1 | 60.0 |
teval (F) | 390.5 | 22.6 | 20.7 | 60.0 |
