Energy and Force Prediction on T1X
268.5Energy AUCCommittee-E
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| Committee-EBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 268.5 | 2,516 | 5.5 | 60 | |
| Committee-FBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 250 | 2,182.5 | 5 | 57 | |
| RandomBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 246.5 | 2,300 | 6.5 | 62 | |
| NTK-FBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 178.5 | 1,802.5 | 5.5 | 59.5 | |
| NTK-EFBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 175 | 1,796.5 | 5 | 60.5 | |
| ActivationBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 164 | 1,789 | 5 | 57 | |
| NTK-EBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 159.5 | 1,754.5 | 5 | 57 |