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When using K-Fold CV, is it still useful to have a Train/Validation/Test split?

Or simply just a Train/Test? I.e. split up data into k bins, and leave one out for testing, train on the rest, and take average of the scores.

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2 Answers 2

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It depends. If you're evaluating your model's performance without tuning hyperparameters, then a train/test split is sufficient.

If you're tuning hyperparameters, then you need a validation set. Within each fold, you'll train on the training set (of course), using the validation set to tune hyperparameters. Then you'll evaluate performance on the test set.

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  • $\begingroup$ So if using a validation set, and we split the data into 5 groups, there would be 3 for training, 1 for validation, and 1 for testing? $\endgroup$
    – Shinobii
    Commented Dec 18, 2019 at 4:15
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    $\begingroup$ That's one way to do it. You can also think of it as having 4 pieces for training+validation, and 1 piece for testing. Then you can split the training+validation set (the 4 pieces), in whichever way seems appropriate. Does that make sense? $\endgroup$
    – zachdj
    Commented Dec 18, 2019 at 4:19
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    $\begingroup$ Yep, perfectly clear. What seemed like such a simple question, was hard to find in all the literature I have been reading. Thanks for your response and understanding. $\endgroup$
    – Shinobii
    Commented Dec 18, 2019 at 19:20
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Very open ended and context dependent, but generally:

You are already have a test set, and actually a "new" one in every CV-fold.

Do your model experimentations with CV, when you are done train on the whole dataset at once.

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