01 · DataOnly clean data reaches the model
Every value carries a status: OK, MISSING, NOT_RUN, FAILED or UNVERIFIED. Only OK may train a surrogate. A failed evaluation stays on record as FAILED with its outputs MISSING; it is left out of every fit and nothing is imputed in its place. Missing is never zero.
02 · CompeteCandidate models compete on held-out error
In the design-optimisation loop, ten Gaussian-process variants compete for each output. The winner has the lowest leave-one-out prediction error (PRESS), with every fold refitted, hyperparameters included, so selection rewards prediction rather than memory.
03 · CalibrateThe band is calibrated on designs it did not see
A model’s own spread says where it is unsure relative to itself, not whether it is right. The served band is that spread scaled by a conformal quantile of the errors on held-out designs, per stratum, with the whole pipeline refitted for each group left out.
04 · JudgeThe fit is judged against bars set in advance
Three numbers from the leave-one-out table decide: Q² for accuracy, Kendall’s τ for ranking, and two-sided coverage of the ±1.96σ band with its Wilson interval. The verdict is the worst of the three. With fewer than 15 cases coverage reads UNKNOWN, and UNKNOWN is never a pass.
05 · DomainEvery request is checked against the training region
Before answering, the surrogate checks the ranges it learned, the distance to its nearest training design and the width of its posterior. At the edge the answer is BORDERLINE, further out OUT_OF_DOMAIN; when the posterior is too wide to support a number it abstains and names the coordinate that put the request there.
06 · DecideWithhold, label and hand back to the solver
A failed or unjudged fit hides the predicted value everywhere, with the reason. The solver’s value is always shown, and the recommended design is the best one the solver evaluated and found feasible. Only a gradient that passed gradient verification may enter a gradient-enhanced fit.