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pythonscikit-learnhyperparameters

Using hold-out-set for validation in RandomizedSearchCV in scikit-learn?


Is there any way to do RandomizedSearchCV from scikit-learn, when validation data does already exist as a holdout set? I have tried to concat train and validation data and define the cv parameter to split exactly where the two sets where combined, but could not find a proper syntax that is accepted by RandomizedSearchCV.

scikit-learn docu says:

cv : int, cross-validation generator or an iterable, optional
    Determines the cross-validation splitting strategy.
    Possible inputs for cv are:
      - None, to use the default 3-fold cross validation,
      - integer, to specify the number of folds in a `(Stratified)KFold`,
      - An object to be used as a cross-validation generator.
      - An iterable yielding train, test splits.

The last option should somehow work, I hope, but I don't know in which format I have to hand it over.

Any help is appreciated!


Solution

  • Suppose you have the indices of your training samples in train_indices and the indices of your test samples in test_indices. Then, it is sufficient to pass these as a tuple wrapped in a list to the cv parameter of RandomizedSearchCV. A MWE to demonstrate:

    from sklearn.datasets import make_classification
    from sklearn.ensemble import RandomForestClassifier
    from sklearn.model_selection import RandomizedSearchCV
    
    
    X, y = make_classification(n_samples=10)
    
    param_distributions = {
        'n_estimators': [10, 20, 30, 40]
    }
    
    train_indices = [0, 1, 2, 3, 4]
    test_indices = [5, 6, 7, 8, 9]
    cv = [(train_indices, test_indices)]
    
    search = RandomizedSearchCV(
        RandomForestClassifier(),
        param_distributions=param_distributions,
        cv=cv,
        n_iter=2
    )
    
    search.fit(X, y)
    

    This will always train and test the estimator on the same samples. If your data is stored pandas dataframes, e.g. df, use df.index.values to get the indices you need.