Molecular Property Regression on ZINC 10K (test)
0.151MAEHierarchical Inter-Message Passing
Evaluation Results
| Method | Links | |
|---|---|---|
| Hierarchical Inter-Message Passing2020.06 | 0.151 | |
| DGN# PARAMS=98K2021.03 | 0.168 | |
| PHC-GNN# PARAMS=106K2021.03 | 0.185 | |
| PNA# PARAMS=95K2021.03 | 0.188 | |
| GIN-E2020.06 | 0.252 | |
| F-GINDownstream Classifier=Linear Regression + L22021.06 | 0.254 | |
| F-GINDownstream Classifier=Linear Regression + L22021.06 | 0.254 | |
| GINE-εType=Baseline2019.04 | 0.278 | |
| GATEDGCN-E2020.06 | 0.282 | |
| MONET2020.06 | 0.292 | |
| δ-2-LGNNType=Local2019.04 | 0.306 | |
| GCN2020.06 | 0.367 | |
| δ-2-GNNType=Baseline2019.04 | 0.374 | |
| GAT2020.06 | 0.384 | |
| GIN# PARAMS=103K2021.03 | 0.387 | |
| GRAPHSAGE2020.06 | 0.398 | |
| 2-WL-GNNType=Baseline2019.04 | 0.399 | |
| GIN2020.06 | 0.408 | |
| GATEDGCN2020.06 | 0.435 | |
| GCN# PARAMS=103K2021.03 | 0.459 | |
| AD-GCL-OPTDownstream Classifier=Linear Regression + L22021.06 | 0.544 | |
| AD-GCL-OPTDownstream Classifier=Linear Regression + L22021.06 | 0.544 | |
| AD-GCL-FIXDownstream Classifier=Linear Regression + L22021.06 | 0.578 | |
| AD-GCL-FIXDownstream Classifier=Linear Regression + L22021.06 | 0.578 | |
| NAD-GCL-FIXDownstream Classifier=Linear Regression + L22021.06 | 0.609 | |
| NAD-GCL-OPTDownstream Classifier=Linear Regression + L22021.06 | 0.609 | |
| NAD-GCL-FIXDownstream Classifier=Linear Regression + L22021.06 | 0.609 | |
| NAD-GCL-OPTDownstream Classifier=Linear Regression + L22021.06 | 0.609 | |
| GraphCLDownstream Classifier=Linear Regression + L22021.06 | 0.627 | |
| GraphCLDownstream Classifier=Linear Regression + L22021.06 | 0.627 | |
| RU-GINDownstream Classifier=Linear Regression + L22021.06 | 0.809 | |
| RU-GINDownstream Classifier=Linear Regression + L22021.06 | 0.809 | |
| InfoGraphDownstream Classifier=Linear Regression + L22021.06 | 0.89 | |
| InfoGraphDownstream Classifier=Linear Regression + L22021.06 | 0.89 |