Multi-Property Targeting (Δε / μ) on QM9
78MAE (Δε)EGD
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| EGDBackbone=GeoLDM, Ablation=w/o CO2025.05 | 78 | 0.25 | |
| EGDBackbone=EDM2025.05 | 101 | 0.09 | |
| EGDBackbone=EDM, Ablation=w/o CO2025.05 | 106 | 0.18 | |
| EGDBackbone=GeoLDM2025.05 | 186 | 0.48 | |
| EGDBackbone=GeoLDM, Ablation=w/o MT2025.05 | 228 | 0.27 | |
| Top-NBackbone=GeoLDM, Sampling Strategy=SR2025.05 | 234 | 0.31 | |
| Top-NBackbone=EDM, Sampling Strategy=SR2025.05 | 247 | 0.3 | |
| EGDBackbone=EDM, Ablation=w/o MT2025.05 | 415 | 0.86 | |
| MUDMBackbone=GeoLDM2025.05 | 544 | 0.58 | |
| MUDMBackbone=EDM2025.05 | 544 | 0.58 | |
| EEGSDEBackbone=GeoLDM2025.05 | 563 | 0.87 | |
| EEGSDEBackbone=EDM2025.05 | 563 | 0.87 | |
| Top-NBackbone=GeoLDM, Sampling Strategy=SE, Base=True2025.05 | 664 | 1.13 | |
| Top-NBackbone=EDM, Sampling Strategy=SE, Base=True2025.05 | 683 | 1.16 |