Table 3.
Over optimization experiments with SAGA-optimize method.
| Optimization Steps | Loss Value | AICc | Selected Model |
|---|---|---|---|
| 500 | 2.070 | −219.488 | Expert-derived model |
| 1000 | 1.754 | −235.728 | Expert-derived model |
| 2000 | 1.377 | −260.654 | Expert-derived model |
| 5000 | 0.941 | −305.651 | Expert-derived model |
| 10000 | 0.664 | −375.192 | Expert-derived model |
| 25000 | 0.469 | −401.760 | Expert-derived model |
| 50000 | 0.408 | −414.737 | Expert-derived model |
| 75000 | 0.328 | −418.228 | 7_G2R1A1U3_g5 |
| 100000 | 0.316 | −424.924 | 7_G1R2A1U3_r4 |
Dataset: FT-ICR-MS (combined); Selection criterion: AICc; Objective function: Absolute difference. Bolded line indicates the start of incorrect selection of the expert-derived model.