Nested cross validation in combination with filter based feature selection Announcing the arrival of Valued Associate #679: Cesar Manara Planned maintenance scheduled April 17/18, 2019 at 00:00UTC (8:00pm US/Eastern) 2019 Moderator Election Q&A - Questionnaire 2019 Community Moderator Election ResultsDoes modeling with Random Forests require cross-validation?Sklearn feature selection stopping criterion (SelectFromModel)Variance in cross validation score / model selectionFeature selection in R too large datasetFeature selection: Information leaking if done before CV-split?k-fold cross-validation: model selection or variation in models when using k-fold cross validationFeature selectionSome confusions on Model selection using cross-validation approachNested cross-validation for regression over small datasetTarget encoding with cross validation

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Nested cross validation in combination with filter based feature selection



Announcing the arrival of Valued Associate #679: Cesar Manara
Planned maintenance scheduled April 17/18, 2019 at 00:00UTC (8:00pm US/Eastern)
2019 Moderator Election Q&A - Questionnaire
2019 Community Moderator Election ResultsDoes modeling with Random Forests require cross-validation?Sklearn feature selection stopping criterion (SelectFromModel)Variance in cross validation score / model selectionFeature selection in R too large datasetFeature selection: Information leaking if done before CV-split?k-fold cross-validation: model selection or variation in models when using k-fold cross validationFeature selectionSome confusions on Model selection using cross-validation approachNested cross-validation for regression over small datasetTarget encoding with cross validation










0












$begingroup$


So I have come across this paper that has defined nested cross validation as follows:



"Further, when one needs to use CV both for parameter selection (including feature selection) and for estimating the accuracy of the learned model, the CV procedure should be nested. That is, on each round of CV (outer CV), where the data is split into a training set consisting of K − 1 folds and the test set formed from the remaining fold, one performs also CV on this training set (inner CV) in order to select the learner parameters"



Here is a link to the paper this is provided in the supplementary materials



https://journals.plos.org/plosgenetics/article?id=10.1371/journal.pgen.1004754



I am particularly confused about the following about "when one needs to use CV both for parameter selection (including feature selection) and for estimating the accuracy of the learned model, the CV procedure should be nested."



So first here is how I understand nested cross validation to work without feature selection
1. Divide the data into K subsets.
2. Hold out one subset (testing) and use the K-1 subsets for model training
3. For a given parameter combination train the model on k-2 subsets and evaluate the performance on the remaining subset (validation).
4. Repeat this for all K-1 splits
5. repeat steps 3 and 4 for all parameter combinations
6. select the parameter combination that gives the best average performance on all k-1 datasets
7. Estimate training error on the hold out dataset
8. repeat steps 2-7 for all K subsets



Now lets say I want to incorporate some kind of filter based feature selection method such as the mutual information between a given feature and the target output.



So my inclination is to modify the above steps as follows
1. Divide the data into K subsets.
2. Hold out one subset for testing and use the K-1 subsets for model training
3. Select features on the K-1 training subsets
4. For a given parameter combination train the model on k-2 subsets and evaluate the performance on the remaining subset (validations set).
5. Repeat this for all K-1 splits in the training set
6. repeat steps 3 and 4 for all parameter combinations
7. select the parameter combination that gives the best average performance on all k-1 datasets
8. Estimate training error on the hold out dataset
9. repeat steps 2-8 for all K subsets



but the way it is described almost sounds like feature selection has to be done on the all k-2 subsets in step 4. This does not make much sense to me. First it is computationally inefficient, second how do you select optimal features when the features will change for every k-1 validation sets?



I do not know if may interpretation of the text is wrong or if there is a fault in my logic. Any help would be much appreciated.










share|improve this question









$endgroup$











  • $begingroup$
    Could you elaborate on where do you propose to apply "filter based feature selection" in your second approach? Step 3?
    $endgroup$
    – user12075
    Apr 1 at 20:45










  • $begingroup$
    "Could you elaborate on where do you propose to apply "filter based feature selection" in your second approach? Step 3?" Yes, the feature selection is performed on the union of all k-1 subsets before any parameter optimization is done. In other words feature selection is done on the whole training set while parameter optimization is only done on k-2 subsets and validated on the remaining subsets using all k-1 subsets to estimate the performance of a given parameter combination.
    $endgroup$
    – Joshua Mannheimer
    Apr 1 at 20:51
















0












$begingroup$


So I have come across this paper that has defined nested cross validation as follows:



"Further, when one needs to use CV both for parameter selection (including feature selection) and for estimating the accuracy of the learned model, the CV procedure should be nested. That is, on each round of CV (outer CV), where the data is split into a training set consisting of K − 1 folds and the test set formed from the remaining fold, one performs also CV on this training set (inner CV) in order to select the learner parameters"



Here is a link to the paper this is provided in the supplementary materials



https://journals.plos.org/plosgenetics/article?id=10.1371/journal.pgen.1004754



I am particularly confused about the following about "when one needs to use CV both for parameter selection (including feature selection) and for estimating the accuracy of the learned model, the CV procedure should be nested."



So first here is how I understand nested cross validation to work without feature selection
1. Divide the data into K subsets.
2. Hold out one subset (testing) and use the K-1 subsets for model training
3. For a given parameter combination train the model on k-2 subsets and evaluate the performance on the remaining subset (validation).
4. Repeat this for all K-1 splits
5. repeat steps 3 and 4 for all parameter combinations
6. select the parameter combination that gives the best average performance on all k-1 datasets
7. Estimate training error on the hold out dataset
8. repeat steps 2-7 for all K subsets



Now lets say I want to incorporate some kind of filter based feature selection method such as the mutual information between a given feature and the target output.



So my inclination is to modify the above steps as follows
1. Divide the data into K subsets.
2. Hold out one subset for testing and use the K-1 subsets for model training
3. Select features on the K-1 training subsets
4. For a given parameter combination train the model on k-2 subsets and evaluate the performance on the remaining subset (validations set).
5. Repeat this for all K-1 splits in the training set
6. repeat steps 3 and 4 for all parameter combinations
7. select the parameter combination that gives the best average performance on all k-1 datasets
8. Estimate training error on the hold out dataset
9. repeat steps 2-8 for all K subsets



but the way it is described almost sounds like feature selection has to be done on the all k-2 subsets in step 4. This does not make much sense to me. First it is computationally inefficient, second how do you select optimal features when the features will change for every k-1 validation sets?



I do not know if may interpretation of the text is wrong or if there is a fault in my logic. Any help would be much appreciated.










share|improve this question









$endgroup$











  • $begingroup$
    Could you elaborate on where do you propose to apply "filter based feature selection" in your second approach? Step 3?
    $endgroup$
    – user12075
    Apr 1 at 20:45










  • $begingroup$
    "Could you elaborate on where do you propose to apply "filter based feature selection" in your second approach? Step 3?" Yes, the feature selection is performed on the union of all k-1 subsets before any parameter optimization is done. In other words feature selection is done on the whole training set while parameter optimization is only done on k-2 subsets and validated on the remaining subsets using all k-1 subsets to estimate the performance of a given parameter combination.
    $endgroup$
    – Joshua Mannheimer
    Apr 1 at 20:51














0












0








0


1



$begingroup$


So I have come across this paper that has defined nested cross validation as follows:



"Further, when one needs to use CV both for parameter selection (including feature selection) and for estimating the accuracy of the learned model, the CV procedure should be nested. That is, on each round of CV (outer CV), where the data is split into a training set consisting of K − 1 folds and the test set formed from the remaining fold, one performs also CV on this training set (inner CV) in order to select the learner parameters"



Here is a link to the paper this is provided in the supplementary materials



https://journals.plos.org/plosgenetics/article?id=10.1371/journal.pgen.1004754



I am particularly confused about the following about "when one needs to use CV both for parameter selection (including feature selection) and for estimating the accuracy of the learned model, the CV procedure should be nested."



So first here is how I understand nested cross validation to work without feature selection
1. Divide the data into K subsets.
2. Hold out one subset (testing) and use the K-1 subsets for model training
3. For a given parameter combination train the model on k-2 subsets and evaluate the performance on the remaining subset (validation).
4. Repeat this for all K-1 splits
5. repeat steps 3 and 4 for all parameter combinations
6. select the parameter combination that gives the best average performance on all k-1 datasets
7. Estimate training error on the hold out dataset
8. repeat steps 2-7 for all K subsets



Now lets say I want to incorporate some kind of filter based feature selection method such as the mutual information between a given feature and the target output.



So my inclination is to modify the above steps as follows
1. Divide the data into K subsets.
2. Hold out one subset for testing and use the K-1 subsets for model training
3. Select features on the K-1 training subsets
4. For a given parameter combination train the model on k-2 subsets and evaluate the performance on the remaining subset (validations set).
5. Repeat this for all K-1 splits in the training set
6. repeat steps 3 and 4 for all parameter combinations
7. select the parameter combination that gives the best average performance on all k-1 datasets
8. Estimate training error on the hold out dataset
9. repeat steps 2-8 for all K subsets



but the way it is described almost sounds like feature selection has to be done on the all k-2 subsets in step 4. This does not make much sense to me. First it is computationally inefficient, second how do you select optimal features when the features will change for every k-1 validation sets?



I do not know if may interpretation of the text is wrong or if there is a fault in my logic. Any help would be much appreciated.










share|improve this question









$endgroup$




So I have come across this paper that has defined nested cross validation as follows:



"Further, when one needs to use CV both for parameter selection (including feature selection) and for estimating the accuracy of the learned model, the CV procedure should be nested. That is, on each round of CV (outer CV), where the data is split into a training set consisting of K − 1 folds and the test set formed from the remaining fold, one performs also CV on this training set (inner CV) in order to select the learner parameters"



Here is a link to the paper this is provided in the supplementary materials



https://journals.plos.org/plosgenetics/article?id=10.1371/journal.pgen.1004754



I am particularly confused about the following about "when one needs to use CV both for parameter selection (including feature selection) and for estimating the accuracy of the learned model, the CV procedure should be nested."



So first here is how I understand nested cross validation to work without feature selection
1. Divide the data into K subsets.
2. Hold out one subset (testing) and use the K-1 subsets for model training
3. For a given parameter combination train the model on k-2 subsets and evaluate the performance on the remaining subset (validation).
4. Repeat this for all K-1 splits
5. repeat steps 3 and 4 for all parameter combinations
6. select the parameter combination that gives the best average performance on all k-1 datasets
7. Estimate training error on the hold out dataset
8. repeat steps 2-7 for all K subsets



Now lets say I want to incorporate some kind of filter based feature selection method such as the mutual information between a given feature and the target output.



So my inclination is to modify the above steps as follows
1. Divide the data into K subsets.
2. Hold out one subset for testing and use the K-1 subsets for model training
3. Select features on the K-1 training subsets
4. For a given parameter combination train the model on k-2 subsets and evaluate the performance on the remaining subset (validations set).
5. Repeat this for all K-1 splits in the training set
6. repeat steps 3 and 4 for all parameter combinations
7. select the parameter combination that gives the best average performance on all k-1 datasets
8. Estimate training error on the hold out dataset
9. repeat steps 2-8 for all K subsets



but the way it is described almost sounds like feature selection has to be done on the all k-2 subsets in step 4. This does not make much sense to me. First it is computationally inefficient, second how do you select optimal features when the features will change for every k-1 validation sets?



I do not know if may interpretation of the text is wrong or if there is a fault in my logic. Any help would be much appreciated.







feature-selection cross-validation parameter-estimation






share|improve this question













share|improve this question











share|improve this question




share|improve this question










asked Apr 1 at 20:26









Joshua MannheimerJoshua Mannheimer

1




1











  • $begingroup$
    Could you elaborate on where do you propose to apply "filter based feature selection" in your second approach? Step 3?
    $endgroup$
    – user12075
    Apr 1 at 20:45










  • $begingroup$
    "Could you elaborate on where do you propose to apply "filter based feature selection" in your second approach? Step 3?" Yes, the feature selection is performed on the union of all k-1 subsets before any parameter optimization is done. In other words feature selection is done on the whole training set while parameter optimization is only done on k-2 subsets and validated on the remaining subsets using all k-1 subsets to estimate the performance of a given parameter combination.
    $endgroup$
    – Joshua Mannheimer
    Apr 1 at 20:51

















  • $begingroup$
    Could you elaborate on where do you propose to apply "filter based feature selection" in your second approach? Step 3?
    $endgroup$
    – user12075
    Apr 1 at 20:45










  • $begingroup$
    "Could you elaborate on where do you propose to apply "filter based feature selection" in your second approach? Step 3?" Yes, the feature selection is performed on the union of all k-1 subsets before any parameter optimization is done. In other words feature selection is done on the whole training set while parameter optimization is only done on k-2 subsets and validated on the remaining subsets using all k-1 subsets to estimate the performance of a given parameter combination.
    $endgroup$
    – Joshua Mannheimer
    Apr 1 at 20:51
















$begingroup$
Could you elaborate on where do you propose to apply "filter based feature selection" in your second approach? Step 3?
$endgroup$
– user12075
Apr 1 at 20:45




$begingroup$
Could you elaborate on where do you propose to apply "filter based feature selection" in your second approach? Step 3?
$endgroup$
– user12075
Apr 1 at 20:45












$begingroup$
"Could you elaborate on where do you propose to apply "filter based feature selection" in your second approach? Step 3?" Yes, the feature selection is performed on the union of all k-1 subsets before any parameter optimization is done. In other words feature selection is done on the whole training set while parameter optimization is only done on k-2 subsets and validated on the remaining subsets using all k-1 subsets to estimate the performance of a given parameter combination.
$endgroup$
– Joshua Mannheimer
Apr 1 at 20:51





$begingroup$
"Could you elaborate on where do you propose to apply "filter based feature selection" in your second approach? Step 3?" Yes, the feature selection is performed on the union of all k-1 subsets before any parameter optimization is done. In other words feature selection is done on the whole training set while parameter optimization is only done on k-2 subsets and validated on the remaining subsets using all k-1 subsets to estimate the performance of a given parameter combination.
$endgroup$
– Joshua Mannheimer
Apr 1 at 20:51











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