Unconditional Graph Generation on QM9 2D
100ValidityTraining set
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| Training setMethod Category=Reference2025.10 | 100 | 0.04 | 0.0001 | 97.2 | — | |
| TreeDiffMethod Category=Inference-Time2025.10 | 99.89 | 0.091 | 0.0004 | 93.2 | 1.8 | |
| Beam SearchMethod Category=Inference-Time2025.10 | 99.81 | 0.123 | 0.0004 | 91.8 | 3.5 | |
| GruMMethod Category=Diffusion2025.10 | 99.69 | 0.108 | 0.0002 | 94.5 | 2 | |
| TAGMolMethod Category=Inference-Time2025.10 | 99.63 | 0.142 | 0.0004 | 91.8 | 3.8 | |
| SVDDMethod Category=Inference-Time2025.10 | 99.41 | 0.205 | 0.0006 | 90.5 | 5.9 | |
| Best-of-NMethod Category=Inference-Time2025.10 | 99.22 | 0.153 | 0.0003 | 91.2 | 4.8 | |
| DiGressMethod Category=Diffusion2025.10 | 98.19 | 0.095 | 0.0033 | 93.5 | 5.8 | |
| GDSSMethod Category=Diffusion2025.10 | 95.72 | 2.9 | 0.0038 | 69.8 | 8 | |
| GraphDFMethod Category=Trad.2025.10 | 93.88 | 10.928 | 0.0636 | 9.8 | 11 | |
| MoFlowMethod Category=Trad.2025.10 | 91.36 | 4.467 | 0.0169 | 14.5 | 10.4 | |
| GraphAFMethod Category=Trad.2025.10 | 74.43 | 5.625 | 0.0207 | 30.5 | 10 | |
| EDP-GNNMethod Category=Diffusion2025.10 | 47.52 | 2.68 | 0.0046 | 32.7 | 10.3 |