Molecule Generation on QM9 2014 (test)
994.8UniquenessPAIRFLOW
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| PAIRFLOWSteps=642025.12 | 994.8 | — | — | — | |
| UDLMSteps=642025.12 | 990 | — | — | — | |
| RandomSteps=642025.12 | 989.6 | — | — | — | |
| PAIRFLOW + DCDSteps=642025.12 | 989 | — | — | — | |
| UDLM + DCDSteps=642025.12 | 987.2 | — | — | — | |
| PAIRFLOWSteps=322025.12 | 986.2 | — | — | — | |
| PAIRFLOW + DCDSteps=322025.12 | 983.4 | — | — | — | |
| RandomSteps=322025.12 | 981.1 | — | — | — | |
| UDLMSteps=322025.12 | 979.1 | — | — | — | |
| PAIRFLOW + DCDSteps=162025.12 | 978.7 | — | — | — | |
| UDLM + DCDSteps=322025.12 | 978.3 | — | — | — | |
| PAIRFLOW + RediSteps=642025.12 | 973 | — | — | — | |
| PAIRFLOWSteps=162025.12 | 971.6 | — | — | — | |
| UDLM + DCDSteps=162025.12 | 970.9 | — | — | — | |
| PAIRFLOW + RediSteps=322025.12 | 968.8 | — | — | — | |
| PAIRFLOW + RediSteps=162025.12 | 959.7 | — | — | — | |
| PAIRFLOW + DCDSteps=82025.12 | 957.8 | — | — | — | |
| UDLM + RediSteps=642025.12 | 956.1 | — | — | — | |
| RandomSteps=162025.12 | 953.5 | — | — | — | |
| UDLM + RediSteps=322025.12 | 944.8 | — | — | — | |
| UDLMSteps=162025.12 | 943 | — | — | — | |
| UDLM + DCDSteps=82025.12 | 932.3 | — | — | — | |
| UDLM + RediSteps=162025.12 | 917.5 | — | — | — | |
| PAIRFLOWSteps=82025.12 | 917.4 | — | — | — | |
| PAIRFLOW + RediSteps=82025.12 | 913.5 | — | — | — | |
| PAIRFLOW + DCDSteps=42025.12 | 886.5 | — | — | — | |
| RandomSteps=82025.12 | 853.1 | — | — | — | |
| UDLM + RediSteps=82025.12 | 834.7 | — | — | — | |
| UDLMSteps=82025.12 | 819.5 | — | — | — | |
| UDLM + DCDSteps=42025.12 | 808.5 | — | — | — | |
| PAIRFLOW + RediSteps=42025.12 | 765.3 | — | — | — | |
| PAIRFLOWSteps=42025.12 | 731.4 | — | — | — | |
| PAIRFLOW + DCDSteps=22025.12 | 681.6 | — | — | — | |
| MDLMSteps=642025.12 | 666.9 | — | — | — | |
| MDLMSteps=322025.12 | 591 | — | — | — | |
| UDLM + RediSteps=42025.12 | 581 | — | — | — | |
| RandomSteps=42025.12 | 551.2 | — | — | — | |
| UDLM + DCDSteps=22025.12 | 528 | — | — | — | |
| PAIRFLOW + RediSteps=22025.12 | 507.7 | — | — | — | |
| UDLMSteps=42025.12 | 495 | — | — | — | |
| PAIRFLOW + DCDSteps=12025.12 | 451.8 | — | — | — | |
| MDLMSteps=162025.12 | 443.8 | — | — | — | |
| PAIRFLOWSteps=22025.12 | 414.7 | — | — | — | |
| PAIRFLOW + RediSteps=12025.12 | 359.5 | — | — | — | |
| UDLM + DCDSteps=12025.12 | 320.9 | — | — | — | |
| MDLMSteps=82025.12 | 254.7 | — | — | — | |
| UDLM + RediSteps=22025.12 | 231.6 | — | — | — | |
| PAIRFLOWSteps=12025.12 | 223 | — | — | — | |
| RandomSteps=22025.12 | 194.5 | — | — | — | |
| UDLMSteps=22025.12 | 125.4 | — | — | — | |
| EDMSDE variant=variance-exploding (VE)2026.05 | 99.12 | 95.2 | 98.13 | 63.3 | |
| MDLMSteps=42025.12 | 87.4 | — | — | — | |
| Riemannian Diffusion Models via PINNsManifold=Permutation-quotiented space Rk×n/Sn2026.05 | 84.61 | 98.63 | 99.6 | 41.7 | |
| UDLM + RediSteps=12025.12 | 59.7 | — | — | — | |
| RandomSteps=12025.12 | 47.1 | — | — | — | |
| MDLMSteps=22025.12 | 28.8 | — | — | — | |
| MDLMSteps=12025.12 | 18.9 | — | — | — | |
| UDLMSteps=12025.12 | 17.5 | — | — | — |