Should I tune a learner with the whole dataset? - r

Recently I was learning about using mlr3 package, and I got some problems:
(1) I read The "Cross-Validation - Train/Predict" misunderstanding. This sounds to me that: I should focus on the average unbiased estimate performance of the model as the result of nested sampling. To me, tuning is adding CV in the training set (i.e., find the best hyperparameters and the feature importance rank), just like the figure below.
However, many examples in the mlr3gallery (e.g., tuning a SVM; tuning a graph) seem to tune their learners with the whole dateset, which confused me. Is it appropriate to use all the data for tuning learner?
(2) I wonder if there is any way to combine Feature Selection and Model Tuning together. I find the function in mlr feature-filtering-with-tuning, but not in mlr3. I guess a pipeline graph might be help, but I could not find a tutorial.
Thanks a lot! Any helps would be grateful!

Related

How to run model diagnostics and validate binomial GAMs?

I'm looking for methods to test the overall fit of a model, run model diagnostics to help with model selection and methods for model validation for binomial GAMs.
If knows of any way to do use this using R that would be extremely helpful as well (i.e packages and functions). I have heard of DHARMa, but am at a loss of how I would use the package.
Any links with more information would also be appreciated.
Currently, all I have been able to do is ROC curves and AUC values.
Thanks

mlr3 optimized average of ensemble

I try to optimize the averaged prediction of two logistic regressions in a classification task using a superlearner.
My measure of interest is classif.auc
The mlr3 help file tells me (?mlr_learners_avg)
Predictions are averaged using weights (in order of appearance in the
data) which are optimized using nonlinear optimization from the
package "nloptr" for a measure provided in measure (defaults to
classif.acc for LearnerClassifAvg and regr.mse for LearnerRegrAvg).
Learned weights can be obtained from $model. Using non-linear
optimization is implemented in the SuperLearner R package. For a more
detailed analysis the reader is referred to LeDell (2015).
I have two questions regarding this information:
When I look at the source code I think LearnerClassifAvg$new() defaults to "classif.ce", is that true?
I think I could set it to classif.auc with param_set$values <- list(measure="classif.auc",optimizer="nloptr",log_level="warn")
The help file refers to the SuperLearner package and LeDell 2015. As I understand it correctly, the proposed "AUC-Maximizing Ensembles through Metalearning" solution from the paper above is, however, not impelemented in mlr3? Or do I miss something? Could this solution be applied in mlr3? In the mlr3 book I found a paragraph regarding calling an external optimization function, would that be possible for SuperLearner?
As far as I understand it, LeDell2015 proposes and evaluate a general strategy that optimizes AUC as a black-box function by learning optimal weights. They do not really propose a best strategy or any concrete defaults so I looked into the defaults of the SuperLearner package's AUC optimization strategy.
Assuming I understood the paper correctly:
The LearnerClassifAvg basically implements what is proposed in LeDell2015 namely, it optimizes the weights for any metric using non-linear optimization. LeDell2015 focus on the special case of optimizing AUC. As you rightly pointed out, by setting the measure to "classif.auc" you get a meta-learner that optimizes AUC. The default with respect to which optimization routine is used deviates between mlr3pipelines and the SuperLearner package, where we use NLOPT_LN_COBYLA and SuperLearner ... uses the Nelder-Mead method via the optim function to minimize rank loss (from the documentation).
So in order to get exactly the same behaviour, you would need to implement a Nelder-Mead bbotk::Optimizer similar to here that simply wraps stats::optim with method Nelder-Mead and carefully compare settings and stopping criteria. I am fairly confident that NLOPT_LN_COBYLA delivers somewhat comparable results, LeDell2015 has a comparison of the different optimizers for further reference.
Thanks for spotting the error in the documentation. I agree, that the description is a little unclear and I will try to improve this!

R: Evaluate Gradient Boosting Machines (GBM) for Regression

Which are the best metrics to evaluate the fit of a GBM algorithm in R (metrics, graphs, ratios)? And how interpret them?
I think maybe you are overthinking this one! Take a step back and think about what matters... the error. You have forecasted values and you have observed values. the difference tells you most of what you need to know when comparing across models. Basic measures like MSE, MPE, etc. should do fine. If you are looking to refine within a given model, I would recommend taking a look at the gbm documentation. For example, you can pass your gbm model object to summary(), to get the relative influence of each of your variables. Additionally, you can find a lot of information in the documentation, so if you haven't taken a look, I would recommend doing so! I have posted the link at the bottom.
-Carmine
gbm_documentation

Can ensemble classifiers underperform the best single classifier?

I have recently run an ensemble classifier in MLR (R) of a multicenter data set. I noticed that the ensemble over three classifiers (that were trained on different data modalities) was worse than the best classifier.
This seemed to be unexpected to me. I was using logistic regressions (without any parameter optimization) as simple classifier and a Partial Least Squares (PLS) Discriminant Analysis as a superlearner, since the base-learner predictions ought to be correlated. I also tested different superlearners like NB, and logistic regression. The results did not change.
Here are my specific questions:
1) Do you know, whether this can in principle occur?
(I also googled a bit and found this blog that seems to indicate that it can:
https://blogs.sas.com/content/sgf/2017/03/10/are-ensemble-classifiers-always-better-than-single-classifiers/)
2) Especially, if you are as surprised as I was, do you know of any checks I could do in mlr to make sure, that there isnt a bug. I have tried to use a different cross-validation scheme (originally I used leave-center-out CV, but since some centers provided very little data, I wasnt sure, whether this might lead to weird model fits of the super learner), but it still holds. I also tried to combine different data modalities and they give me the same phenomenon.
I would be grateful to hear, whether you have experienced this and if not, whether you know what the problem could be.
Thanks in advance!
Yes, this can happen - ensembles do not always guarantee a better result. More details regarding cases where this can happen are discussed also in this cross-validate question

Cross-validation predictions for lightGBM

Is there a simple way to recover cross-validation predictions from the model built using lgb.cv from lightGBM?
I am doing a grid search combined with cross validation. Ultimately I would like to obtain the predictions for each of the defined hold-out folds so I can also stack a few models.
the only way i have found is to continue to train (lgb.train) the same model (booster) to do this you must use init_model='model.txt'. Then save the models best iteration like this bst.save_model('model.txt', num_iteration=bst.best_iteration). Note this is python api, sorry. I have asked the same question but for the python api

Resources