Research paper
Computational MultiscaleHigh Throughput Screening| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Rmse | GP (PCA, 400-pt subset) | 0.0849 | — | |||
| Mae | GP (PCA, 400-pt subset) | 0.0453 | — | |||
| R2 Score | GP (PCA, 400-pt subset) | 0.276 | — | |||
| Rmse | Random Forest | 0.0653 | — | |||
| R2 Score | Random Forest | 0.572 | — | |||
| Principal Components Retained | PCA components | 26 | — | |||
| Inference Time | GP inference per spectrum | 4.4ms | — | |||
| Inference Time | TMM per spectrum | 308ms | — | |||
| Speedup Factor | GP over TMM | 70x | — | |||
| Coverage Fraction | 95% prediction band coverage | 0.989 | — | |||
| Coverage Fraction | 68% prediction band coverage | 0.931 | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Rmse | GP (PCA, 400-pt subset) | 0.0849 | — | |||
| Mae | GP (PCA, 400-pt subset) | 0.0453 | — | |||
| R2 Score | GP (PCA, 400-pt subset) | 0.276 | — | |||
| Rmse | Random Forest | 0.0653 | — | |||
| R2 Score | Random Forest | 0.572 | — | |||
| Principal Components Retained | PCA components | 26 | — | |||
| Inference Time | GP inference per spectrum | 4.4ms | — | |||
| Inference Time | TMM per spectrum | 308ms | — | |||
| Speedup Factor | GP over TMM | 70x | — | |||
| Coverage Fraction | 95% prediction band coverage | 0.989 | — | |||
| Coverage Fraction | 68% prediction band coverage | 0.931 | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Rmse | GP (PCA, 400-pt subset) | 0.0849 | — | |||
| Mae | GP (PCA, 400-pt subset) | 0.0453 | — | |||
| R2 Score | GP (PCA, 400-pt subset) | 0.276 | — | |||
| Rmse | Random Forest | 0.0653 | — | |||
| R2 Score | Random Forest | 0.572 | — | |||
| Principal Components Retained | PCA components | 26 | — | |||
| Inference Time | GP inference per spectrum | 4.4ms | — | |||
| Inference Time | TMM per spectrum | 308ms | — | |||
| Speedup Factor | GP over TMM | 70x | — | |||
| Coverage Fraction | 95% prediction band coverage | 0.989 | — | |||
| Coverage Fraction | 68% prediction band coverage | 0.931 | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Rmse | GP (PCA, 400-pt subset) | 0.0849 | — | |||
| Mae | GP (PCA, 400-pt subset) | 0.0453 | — | |||
| R2 Score | GP (PCA, 400-pt subset) | 0.276 | — | |||
| Rmse | Random Forest | 0.0653 | — | |||
| R2 Score | Random Forest | 0.572 | — | |||
| Principal Components Retained | PCA components | 26 | — | |||
| Inference Time | GP inference per spectrum | 4.4ms | — | |||
| Inference Time | TMM per spectrum | 308ms | — | |||
| Speedup Factor | GP over TMM | 70x | — | |||
| Coverage Fraction | 95% prediction band coverage | 0.989 | — | |||
| Coverage Fraction | 68% prediction band coverage | 0.931 | — |