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    How do I use the "custom" cross-validation option?

Possible Solutions:

    In PLS_Toolbox, the user can also manually specify the subsets of samples to be used as tests sets in the cross-validation procedure, using the “Custom” cross-validation method. When using the GUI, if the “Custom” method in the Cross-Validation window is chosen, then the user will be asked to specify a “custom cross-validation” vector that specifies the subsets of objects to be placed in each test subset for each sub-validation. This custom cross-validation vector must be a vector of integers with dimensionality 1 x n, where n is the total number of objects in the currently-loaded data set. The values within this vector must adhere to the following set of rules:

    • A value of -2 indicates that the object is placed in every test set (never in a model-building set)

    • A value of -1 indicates that the object is placed in every model-building set (never in a test set)

    • A value of 0 indicates that the object is used for neither model-building nor model testing

    • Values of 1,2,3… indicate the test set number for each object (for those objects that are used in the cross-validation procedure)

    For example, for a data set containing 9 objects, a custom cross validation array of
    [-1 0 1 1 -2 2 2 0 -1]
    will result in two sub-validation experiments: one using objects 3,4 and 5 in the test set and 1,6,7 and 9 in the model-building set, and one using objects 5,6 and 7 in the test set and 1,3,4 and 9 in the model-building set.

    This method can be particularly useful in cases where the data sets have relatively few objects, or they are generated from a designed experiment. In such cases, it might be necessary to “force” some objects to always be either in the test set, in the model-building set, or out of the cross-validation procedure entirely.

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