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. 2020 Jun 10;120(16):8066–8129. doi: 10.1021/acs.chemrev.0c00004

Figure 34.

Figure 34

Comparison of model selection techniques for little and big data. For little data, one can use k-fold cross-validation with a separate test set (a) whereas the holdout method with three sets can be used for big data (b). In k-fold cross-validation the data is split into k folds and one loop over all the k-folds, using k – 1 folds as the training set and the kth fold for testing.