in silico
Phase 1 : In Silico Validation
- Objectif
- To falsify the primary prediction (15-25% MKV reduction) and assess robustness to non-stationarity and computational feasibility using synthetic data only, at minimal cost.
- Coût estimé
- €500-2000
- Durée estimée
- 4-6 weeks
- Critères de réussite
- Mean MKV ratio (D-optimal / Stratified random) · ≤ 0.75 (i.e., ≥25% reduction) with 95% CI upper bound ≤ 0.85 · (Compute mean and 95% CI from 1000 paired simulations using bootstrapping (BCa method).)
- p-value for one-tailed paired t-test on log-MKV · p < 0.01 (Bonferroni-corrected for 5 predictions) · (Use `scipy.stats.ttest_rel` with alternative='less'.)
- Mean computation time for Fedorov algorithm · ≤ 120 seconds (mean over 10 runs) · (Use `timeit` module in Python, record wall-clock time.)
- On continue si
- All three success criteria are met (MKV reduction ≥25%, p<0.01, computation time ≤120s).
- On arrête si
- Any success criterion fails (e.g., MKV reduction <15% or p>0.05).
- On réoriente si
- MKV reduction is 15-24% but p<0.01: proceed to Phase 2 with relaxed expectations (target 15% reduction). If computation time >120s, optimize algorithm (e.g., use L-BFGS-B instead of Fedorov) before proceeding.
- Risques
- FIM computation is numerically unstable for some parameter combinations (e.g., ν close to 0.5).Probabilité : mediumParade : Use analytical gradients for FIM (see Stein, 1999). If instability persists, use a composite likelihood approach (Vecchia approximation).
- Fedorov algorithm fails to converge to a near-optimal design within 5000 iterations.Probabilité : lowParade : Increase iterations to 10000 or switch to a coordinate-exchange algorithm (Meyer & Nachtsheim, 1995).
- Simulated GP parameters do not reflect real soil moisture dynamics.Probabilité : mediumParade : Use parameters from published literature (e.g., Vereecken et al., 2014) and perform sensitivity analysis over a plausible range.