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hyperparameter-tuning

Skill2 starsChanged 12 days agoMITView on GitHub

Hyperparameter Tuning. Tune machine learning models honestly - grid search, random search, successive halving, Hyperband, Bayesian optimization with Optuna and pruning, nested cross-validation, early stopping on validation folds, search spaces for logistic regression, random forest, XGBoost, LightGBM, SVM, k-NN and neural networks, compute budgets, reporting spread and parameter importance. Use for hyperparameter optimization, GridSearchCV, RandomizedSearchCV, Optuna, model tuning or improving a model's settings.

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SKILL.md

Hyperparameter Tuning

Order of work

  1. Fix the metric (aligned with cost: PR-AUC, F-beta, log loss, MAE), the split strategy and the baseline.
  2. Score the default configuration with the same CV. Tuning gains are measured against it.
  3. Tune inside cross-validation on training data only. The test set never influences tuning, early stopping or model choice.
  4. Tune the decision threshold afterwards, as a separate step on validation data.

Method choice

SituationMethod
Two or three parameters, cheap modelGridSearchCV
Default choiceRandomizedSearchCV with log-uniform ranges, 30 to 100 trials
Large space, cheap early signalHalvingRandomSearchCV, Hyperband
Expensive modelsOptuna (TPE) with median pruning, CV inside the objective
Small dataset, honest estimate neededNested CV: inner search, outer score

Rules

  • Log-scale ranges for learning rates, regularization strengths and C.
  • Early stopping on a validation fold carved from training data, never on test.
  • Fix the seed of the search and of the model; record the budget (trials, wall time, hardware).
  • With many trials, the best CV score is optimistic (validation overfitting). Confirm on the untouched test set once, or use nested CV.
  • Differences smaller than the fold-to-fold standard deviation are not improvements.

Report

Best mean CV score with its standard deviation across folds, the default-configuration score, the baseline score, the best parameters, a parameter importance or slice plot, the budget and the seed. Spaces and code: references/tuning.md.

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