Regression on PES ten molecules from Table M1 (test)
0.168Max ErrorCUTS-GPR
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| CUTS-GPRInteraction order (ω)=32026.05 | 0.168 | 1.58 | 4.31 | |
| SVGPInteraction order (ω)=3, Number of inducing points (m)=10242026.05 | 0.523 | 3.85 | 8.02 | |
| SVGPInteraction order (ω)=2, Number of inducing points (m)=20482026.05 | 0.533 | 4.13 | 8.08 | |
| SVGPInteraction order (ω)=2, Number of inducing points (m)=10242026.05 | 0.554 | 5.03 | 9.69 | |
| SVGPInteraction order (ω)=3, Number of inducing points (m)=5122026.05 | 0.59 | 4.9 | 9.39 | |
| SVGPInteraction order (ω)=3, Number of inducing points (m)=2562026.05 | 0.605 | 5.8 | 10.83 | |
| SVGPInteraction order (ω)=2, Number of inducing points (m)=5122026.05 | 0.631 | 6.68 | 13.26 | |
| SVGPInteraction order (ω)=2, Number of inducing points (m)=2562026.05 | 0.698 | 7.55 | 15.84 |