Formation energy per site prediction on 2D Materials Defect Dataset (10-fold splits)
4MAE (eV/site)MEGNet(Sparse)
Evaluation Results
| Method | Links | |
|---|---|---|
| MEGNet(Sparse)Material=MoS2, Density=low2025.12 | 4 | |
| MEGNet(Sparse)Material=WSe2, Density=low2025.12 | 6 | |
| CatBoostMaterial=MoS2, Density=low2025.12 | 12.6 | |
| SymbolicMaterial=MoS2, Density=low2025.12 | 13 | |
| CatBoostMaterial=WSe2, Density=low2025.12 | 16.3 | |
| MEGNet(Sparse)Material=MoS2, Density=high2025.12 | 23 | |
| MEGNet(Sparse)Material=WSe2, Density=high2025.12 | 23 | |
| SymbolicMaterial=WSe2, Density=low2025.12 | 30 | |
| MEGNet(Sparse)Material=InSe, Density=high2025.12 | 35 | |
| GemNetMaterial=WSe2, Density=low2025.12 | 42 | |
| GemNetMaterial=MoS2, Density=low2025.12 | 44 | |
| MEGNet(Sparse)Material=GaSe, Density=high2025.12 | 48 | |
| SymbolicMaterial=MoS2, Density=high2025.12 | 50 | |
| MEGNetMaterial=MoS2, Density=low2025.12 | 58 | |
| SchNetMaterial=MoS2, Density=low2025.12 | 65 | |
| MEGNetMaterial=WSe2, Density=low2025.12 | 65 | |
| SymbolicMaterial=InSe, Density=high2025.12 | 70 | |
| SymbolicMaterial=WSe2, Density=high2025.12 | 74 | |
| SchNetMaterial=WSe2, Density=low2025.12 | 85 | |
| MEGNetMaterial=InSe, Density=high2025.12 | 95 | |
| SymbolicMaterial=GaSe, Density=high2025.12 | 98 | |
| CatBoostMaterial=GaSe, Density=high2025.12 | 103 | |
| MEGNetMaterial=GaSe, Density=high2025.12 | 107 | |
| MEGNetMaterial=WSe2, Density=high2025.12 | 112 | |
| MEGNet(Sparse)Material=h-BN, Density=high2025.12 | 127 | |
| MEGNetMaterial=MoS2, Density=high2025.12 | 136 | |
| CatBoostMaterial=MoS2, Density=high2025.12 | 136 | |
| CatBoostMaterial=InSe, Density=high2025.12 | 137 | |
| CatBoostMaterial=WSe2, Density=high2025.12 | 162 | |
| GemNetMaterial=GaSe, Density=high2025.12 | 230 | |
| SchNetMaterial=GaSe, Density=high2025.12 | 245 | |
| GemNetMaterial=InSe, Density=high2025.12 | 247 | |
| SchNetMaterial=InSe, Density=high2025.12 | 268 | |
| SymbolicMaterial=h-BN, Density=high2025.12 | 295 | |
| SchNetMaterial=MoS2, Density=high2025.12 | 321 | |
| CatBoostMaterial=h-BN, Density=high2025.12 | 363 | |
| MEGNetMaterial=h-BN, Density=high2025.12 | 496 | |
| GemNetMaterial=MoS2, Density=high2025.12 | 535 | |
| SchNetMaterial=WSe2, Density=high2025.12 | 536 | |
| GemNetMaterial=WSe2, Density=high2025.12 | 575 | |
| GemNetMaterial=h-BN, Density=high2025.12 | 697 | |
| SchNetMaterial=h-BN, Density=high2025.12 | 1,442 |