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DocumentationCurrent packageWorkflow and outputs

Workflow and outputs

Stages

configured MPMA sweep → ensemble sweep → explainability → report
StageCommandPurpose
Evaluatemllabiome config.py --stage evaluateMaterialise MPDRs and evaluate every MPMA candidate
Ensemblemllabiome config.py --stage ensembleSearch candidate MPMA ensembles and select MPMA-E
Explainmllabiome config.py --stage explainRun out-of-fold SHAP, LIME, permutation, ALE, and interactions for configured targets
Reportmllabiome config.py --stage reportWrite the HTML report and manuscript-ready tables/figures
Allmllabiome config.pyRun the full pipeline

Main output locations

Each experiment writes under EXPERIMENT_DIR.

EXPERIMENT_DIR/ configs.tsv configs.db tables/ mpma_rankings.tsv qualification_gate.tsv representation_impact_cells.tsv figures/ mpma_top_metric.png representation_impact.png representation_impact.pdf representation_impact.svg ensembling/ final_model_comparison.tsv selected_unit.json ensemble_candidates.png explainability/ <target>/ feature_importance.tsv feature_importance_shap.tsv feature_importance_lime.tsv feature_importance_permutation.tsv feature_importance_ale.tsv oof_predictions.tsv explained_unit.json figures/ report.html

Resume behavior

The stages are restartable. A configuration can be run repeatedly while the sweep space is being expanded. Completed MPMA/split pairs are retained, and newly enabled resolutions, transformations, or learners are evaluated on rerun.

If evaluation is complete but the report needs a refresh, rerun only:

mllabiome config.py --stage report

If the selected ensemble exists and only explanations need to be regenerated:

mllabiome config.py --stage explain
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