HOMO-LUMO gap prediction on 2D Materials Defect Dataset (10-fold splits)
5.7MAEMEGNet(Sparse)
Evaluation results
| Method | Links | |
|---|---|---|
| MEGNet(Sparse)Material=MoS2, Density=low2025.12 | 5.7 | |
| MEGNet(Sparse)Material=WSe2, Density=low2025.12 | 8.1 | |
| SymbolicMaterial=MoS2, Density=low2025.12 | 18 | |
| CatBoostMaterial=WSe2, Density=low2025.12 | 18.3 | |
| CatBoostMaterial=MoS2, Density=low2025.12 | 26.7 | |
| MEGNetMaterial=MoS2, Density=low2025.12 | 30 | |
| MEGNetMaterial=WSe2, Density=low2025.12 | 32 | |
| MEGNet(Sparse)Material=WSe2, Density=high2025.12 | 38 | |
| MEGNet(Sparse)Material=MoS2, Density=high2025.12 | 39 | |
| SymbolicMaterial=WSe2, Density=low2025.12 | 44 | |
| GemNetMaterial=MoS2, Density=low2025.12 | 46 | |
| MEGNetMaterial=WSe2, Density=high2025.12 | 47 | |
| MEGNetMaterial=MoS2, Density=high2025.12 | 54 | |
| SymbolicMaterial=WSe2, Density=high2025.12 | 55 | |
| GemNetMaterial=WSe2, Density=low2025.12 | 64 | |
| CatBoostMaterial=MoS2, Density=high2025.12 | 71 | |
| SymbolicMaterial=MoS2, Density=high2025.12 | 81 | |
| CatBoostMaterial=WSe2, Density=high2025.12 | 106 | |
| CatBoostMaterial=InSe, Density=high2025.12 | 155 | |
| MEGNetMaterial=InSe, Density=high2025.12 | 156 | |
| MEGNet(Sparse)Material=InSe, Density=high2025.12 | 167 | |
| SymbolicMaterial=InSe, Density=high2025.12 | 170 | |
| CatBoostMaterial=GaSe, Density=high2025.12 | 173 | |
| GemNetMaterial=MoS2, Density=high2025.12 | 174 | |
| MEGNetMaterial=GaSe, Density=high2025.12 | 178 | |
| GemNetMaterial=InSe, Density=high2025.12 | 178 | |
| SchNetMaterial=WSe2, Density=high2025.12 | 186 | |
| SchNetMaterial=MoS2, Density=low2025.12 | 187 | |
| MEGNet(Sparse)Material=GaSe, Density=high2025.12 | 194 | |
| GemNetMaterial=GaSe, Density=high2025.12 | 196 | |
| SymbolicMaterial=GaSe, Density=high2025.12 | 201 | |
| SchNetMaterial=MoS2, Density=high2025.12 | 204 | |
| CatBoostMaterial=h-BN, Density=high2025.12 | 208 | |
| SchNetMaterial=InSe, Density=high2025.12 | 214 | |
| GemNetMaterial=h-BN, Density=high2025.12 | 227 | |
| MEGNetMaterial=h-BN, Density=high2025.12 | 233 | |
| SchNetMaterial=WSe2, Density=low2025.12 | 236 | |
| SymbolicMaterial=h-BN, Density=high2025.12 | 240 | |
| SchNetMaterial=h-BN, Density=high2025.12 | 244 | |
| MEGNet(Sparse)Material=h-BN, Density=high2025.12 | 260 | |
| GemNetMaterial=WSe2, Density=high2025.12 | 268 | |
| SchNetMaterial=GaSe, Density=high2025.12 | 309 |