Energy and Force Prediction on RGD
348Energy AUCRandom
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| RandomBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 348 | 4,763.5 | 13 | 188.5 | |
| NTK-EFBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 344.5 | 4,684 | 12 | 186 | |
| Committee-EBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 339 | 4,659 | 12 | 186 | |
| NTK-EBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 339 | 4,651.5 | 12 | 186 | |
| NTK-FBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 338 | 4,665.5 | 12 | 184 | |
| Committee-FBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 334 | 4,587.5 | 11.5 | 182.5 | |
| ActivationBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 326 | 4,677 | 12 | 185 |