Energy and Force Prediction on PMechDB
493Energy 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 | 493 | 2,799 | 19 | 107 | |
| Committee-FBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 457.5 | 2,634.5 | 17 | 102 | |
| RandomBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 453 | 2,857 | 17 | 113.5 | |
| NTK-FBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 433.5 | 2,780.5 | 16 | 111.5 | |
| NTK-EFBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 431 | 2,777 | 16.5 | 109.5 | |
| ActivationBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 427 | 2,800.5 | 16 | 109 | |
| NTK-EBackbone=MACE, Pre-training=SPICE-2, Initial training set size=50, Acquisition batch size=150, Number of rounds=202026.05 | 426.5 | 2,718.5 | 16 | 106.5 |