如何在 mlr3 中重复 glmnet 的超参数调整（alpha 和/或 lambda）

Question

I would like to repeat the hyperparameter tuning ( alpha and/or lambda ) of glmnet in mlr3 to avoid variability in smaller data sets

In caret , I could do this with "repeatedcv"

Since I really like the mlr3 family packages I would like to use them for my analysis. However, I am not sure about the correct way how to do this step in mlr3

Example data

#library
library(caret)
library(mlr3verse)
library(mlbench)

# get example data
data(PimaIndiansDiabetes, package="mlbench")
data <- PimaIndiansDiabetes

# get small training data
train.data <- data[1:60,]

^{Created on 2021-03-18 by the reprex package (v1.0.0)}

caret approach (tuning alpha and lambda ) using "cv" and "repeatedcv"

trControlCv <- trainControl("cv",
             number = 5,
             classProbs = TRUE,
             savePredictions = TRUE,
             summaryFunction = twoClassSummary)

# use "repeatedcv" to avoid variability in smaller data sets
trControlRCv <- trainControl("repeatedcv",
             number = 5,
             repeats= 20,
             classProbs = TRUE,
             savePredictions = TRUE,
             summaryFunction = twoClassSummary)

# train and extract coefficients with "cv" and different set.seed
set.seed(2323)
model <- train(
  diabetes ~., data = train.data, method = "glmnet",
  trControl = trControlCv,
  tuneLength = 10,
  metric="ROC"
)

coef(model$finalModel, model$finalModel$lambdaOpt) -> coef1

set.seed(23)
model <- train(
  diabetes ~., data = train.data, method = "glmnet",
  trControl = trControlCv,
  tuneLength = 10,
  metric="ROC"
)

coef(model$finalModel, model$finalModel$lambdaOpt) -> coef2


# train and extract coefficients with "repeatedcv" and different set.seed
set.seed(13)

model <- train(
  diabetes ~., data = train.data, method = "glmnet",
  trControl = trControlRCv,
  tuneLength = 10,
  metric="ROC"
)

coef(model$finalModel, model$finalModel$lambdaOpt) -> coef3


set.seed(55)
model <- train(
  diabetes ~., data = train.data, method = "glmnet",
  trControl = trControlRCv,
  tuneLength = 10,
  metric="ROC"
)

coef(model$finalModel, model$finalModel$lambdaOpt) -> coef4

^{Created on 2021-03-18 by the reprex package (v1.0.0)}

Demonstrate different coefficients with cross-validation and same coefficients with repeated cross-validation

# with "cv" I get different coefficients
identical(coef1, coef2)
#> [1] FALSE

# with "repeatedcv" I get the same coefficients
identical(coef3,coef4)
#> [1] TRUE

^{Created on 2021-03-18 by the reprex package (v1.0.0)}

FIRST mlr3 approach using cv.glmnet (does internally tune lambda )

# create elastic net regression
glmnet_lrn = lrn("classif.cv_glmnet", predict_type = "prob")

# define train task
train.task <- TaskClassif$new("train.data", train.data, target = "diabetes")

# create learner 
learner = as_learner(glmnet_lrn)

# train the learner with different set.seed
set.seed(2323)
learner$train(train.task)
coef(learner$model, s = "lambda.min") -> coef1

set.seed(23)
learner$train(train.task)
coef(learner$model, s = "lambda.min") -> coef2

^{Created on 2021-03-18 by the reprex package (v1.0.0)}

Demonstrate different coefficients with cross-validation

# compare coefficients
coef1
#> 9 x 1 sparse Matrix of class "dgCMatrix"
#>                        1
#> (Intercept) -3.323460895
#> age          0.005065928
#> glucose      0.019727881
#> insulin      .          
#> mass         .          
#> pedigree     .          
#> pregnant     0.001290570
#> pressure     .          
#> triceps      0.020529162
coef2
#> 9 x 1 sparse Matrix of class "dgCMatrix"
#>                        1
#> (Intercept) -3.146190752
#> age          0.003840963
#> glucose      0.019015433
#> insulin      .          
#> mass         .          
#> pedigree     .          
#> pregnant     .          
#> pressure     .          
#> triceps      0.018841557

^{Created on 2021-03-18 by the reprex package (v1.0.0)}

Update 1: the progress I made

According to the comment below and this comment I could use rsmp and AutoTuner

This answer suggests not to tune cv.glmnet but glmnet (which was not available in ml3 at that time)

SECOND mlr3 approach using glmnet (repeats the tuning of alpha and lambda )

# define train task
train.task <- TaskClassif$new("train.data", train.data, target = "diabetes")

# create elastic net regression
glmnet_lrn = lrn("classif.glmnet", predict_type = "prob")

# turn to learner
learner = as_learner(glmnet_lrn)

# make search space
search_space = ps(
  alpha = p_dbl(lower = 0, upper = 1),
  s = p_dbl(lower = 1, upper = 1)
)

# set terminator
terminator = trm("evals", n_evals = 20)

#set tuner
tuner = tnr("grid_search", resolution = 3)

# tune the learner
at = AutoTuner$new(
  learner = learner,
  rsmp("repeated_cv"),
  measure = msr("classif.ce"),
  search_space = search_space,
  terminator = terminator,
  tuner=tuner)

at
#> <AutoTuner:classif.glmnet.tuned>
#> * Model: -
#> * Parameters: list()
#> * Packages: glmnet
#> * Predict Type: prob
#> * Feature types: logical, integer, numeric
#> * Properties: multiclass, twoclass, weights

Open Question

How can I demonstrate that my second approach is valid and that I get same or similar coefficients with different seeds? ie. how can I extract the coefficients for the final model of the AutoTuner

set.seed(23)
at$train(train.task) -> tune1

set.seed(2323) 
at$train(train.task) -> tune2

^{Created on 2021-03-18 by the reprex package (v1.0.0)}

Answer 1

Repeated hyperparameter tuning (alpha and lambda) of glmnet can be done using the SECOND mlr3 approach as stated above. The coefficients can be extracted with stats::coef and the stored values in the AutoTuner

coef(tune1$model$learner$model, alpha=tune1$tuning_result$alpha,s=tune1$tuning_result$s)
# 9 x 1 sparse Matrix of class "dgCMatrix"
# 1
# (Intercept) -1.6359082102
# age          0.0075541841
# glucose      0.0044351365
# insulin      0.0005821515
# mass         0.0077104934
# pedigree     0.0911233031
# pregnant     0.0164721202
# pressure     0.0007055435
# triceps      0.0056942014
coef(tune2$model$learner$model, alpha=tune2$tuning_result$alpha,s=tune2$tuning_result$s)
# 9 x 1 sparse Matrix of class "dgCMatrix"
# 1
# (Intercept) -1.6359082102
# age          0.0075541841
# glucose      0.0044351365
# insulin      0.0005821515
# mass         0.0077104934
# pedigree     0.0911233031
# pregnant     0.0164721202
# pressure     0.0007055435
# triceps      0.0056942014