针对灵敏度优化插入符似乎仍然针对 ROC 进行了优化

Optimising caret for sensitivity still seems to optimise for ROC

我正在尝试使用 rpart 最大化模型中的灵敏度 selection in caret。为此,我尝试复制此处给出的方法(向下滚动到使用用户定义函数 FourStat 的示例)caret's github page

# create own function so we can use "sensitivity" as our metric to maximise:
Sensitivity.fc <- function (data, lev = levels(data$obs), model = NULL) {
    out <- c(twoClassSummary(data, lev = levels(data$obs), model = NULL))
    c(out, Sensitivity = out["Sens"])
}

rpart_caret_fit <- train(outcome~pred1+pred2+pred3+pred4,
    na.action = na.pass,
    method = "rpart", 
    control=rpart.control(maxdepth = 6),
    tuneLength = 20, 
    # maximise sensitivity
    metric = "Sensitivity", 
    maximize = TRUE,
    trControl = trainControl(classProbs = TRUE,
    summaryFunction = Sensitivity.fc))

但是当我得到

的摘要时
rpart_caret_fit

表明它仍然使用ROC准则来select最终模型:

CART 

678282 samples
 4 predictor
 2 classes: 'yes', 'no' 

No pre-processing
Resampling: Bootstrapped (25 reps) 
Summary of sample sizes: 678282, 678282, 678282, 678282, 678282, 678282, ... 
Resampling results across tuning parameters:

cp              ROC        Sens       Spec       Sensitivity.Sens
0.000001909738  0.7259486  0.4123547  0.8227382  0.4123547       
0.000002864607  0.7259486  0.4123547  0.8227382  0.4123547       
0.000005729214  0.7259489  0.4123622  0.8227353  0.4123622       
0.000006684083  0.7258036  0.4123614  0.8227379  0.4123614       
0.000007638953  0.7258031  0.4123576  0.8227398  0.4123576       
0.000009548691  0.7258028  0.4123539  0.8227416  0.4123539       
0.000010694534  0.7257553  0.4123589  0.8227332  0.4123589       
0.000015277905  0.7257313  0.4123614  0.8227290  0.4123614       
0.000032465548  0.7253456  0.4112838  0.8234272  0.4112838       
0.000038194763  0.7252966  0.4112912  0.8234196  0.4112912       
0.000076389525  0.7248774  0.4102792  0.8240339  0.4102792       
0.000164237480  0.7244847  0.4093688  0.8246372  0.4093688       
0.000194793290  0.7241532  0.4086596  0.8250930  0.4086596       
0.000310650737  0.7237546  0.4087379  0.8250393  0.4087379       
0.001625187154  0.7233805  0.4006570  0.8295729  0.4006570       
0.001726403276  0.7233225  0.3983850  0.8308874  0.3983850       
0.002173282000  0.7230906  0.3915758  0.8348320  0.3915758       
0.002237258227  0.7230906  0.3915758  0.8348320  0.3915758       
0.006140444689  0.7173854  0.4897494  0.7695558  0.4897494       
0.055330843035  0.5730987  0.2710906  0.8545549  0.2710906       

ROC was used to select the optimal model using the largest value.
The final value used for the model was cp = 0.000005729214.

如何覆盖 ROC selection 方法?

你over-complicated东西。

两个 class 摘要已包含敏感度作为输出。列名称 "Sens"。指定就足够了:

metric = "Sens"trainsummaryFunction = twoClassSummarytrainControl

完整示例:

library(caret)
library(mlbench)
data(Sonar)

rpart_caret_fit <- train(Class~., 
                         data = Sonar,
                         method = "rpart", 
                         tuneLength = 20, 
                         metric = "Sens", 
                         maximize = TRUE,
                         trControl = trainControl(classProbs = TRUE,
                                                  method = "cv",
                                                  number = 5,
                                                  summaryFunction = twoClassSummary))

rpart_caret_fit
CART 

208 samples
 60 predictor
  2 classes: 'M', 'R' 

No pre-processing
Resampling: Cross-Validated (5 fold) 
Summary of sample sizes: 167, 166, 166, 166, 167 
Resampling results across tuning parameters:

  cp         ROC        Sens       Spec     
  0.0000000  0.7088298  0.7023715  0.7210526
  0.0255019  0.7075400  0.7292490  0.6684211
  0.0510038  0.7105388  0.7758893  0.6405263
  0.0765057  0.6904202  0.7841897  0.6294737
  0.1020076  0.7104681  0.8114625  0.6094737
  0.1275095  0.7104681  0.8114625  0.6094737
  0.1530114  0.7104681  0.8114625  0.6094737
  0.1785133  0.7104681  0.8114625  0.6094737
  0.2040152  0.7104681  0.8114625  0.6094737
  0.2295171  0.7104681  0.8114625  0.6094737
  0.2550190  0.7104681  0.8114625  0.6094737
  0.2805209  0.7104681  0.8114625  0.6094737
  0.3060228  0.7104681  0.8114625  0.6094737
  0.3315247  0.7104681  0.8114625  0.6094737
  0.3570266  0.7104681  0.8114625  0.6094737
  0.3825285  0.7104681  0.8114625  0.6094737
  0.4080304  0.7104681  0.8114625  0.6094737
  0.4335323  0.7104681  0.8114625  0.6094737
  0.4590342  0.6500135  0.8205534  0.4794737
  0.4845361  0.6500135  0.8205534  0.4794737

Sens was used to select the optimal model using the largest value.
The final value used for the model was cp = 0.4845361.

此外,我认为您不能将 control = rpart.control(maxdepth = 6) 指定为插入符 train 这是不正确的 - 插入符使用 [=20 向前传递任何参数=].所以你几乎可以传递任何参数。

如果您想编写自己的汇总函数,这里是 "Sens" 上的示例:

Sensitivity.fc <- function (data, lev = NULL, model = NULL) { #every summary function takes these three arguments
  obs <- data[, "obs"] #these are the real values - always in column name "obs" in data
  cls <- levels(obs) #there are the levels - you can also pass this to lev argument 
  probs <- data[, cls[2]] #these are the probabilities for the 2nd class - useful only if prob = TRUE
  class <- as.factor(ifelse(probs > 0.5, cls[2], cls[1])) #calculate the classes based on some probability treshold
  Sensitivity <- caret::sensitivity(class, obs) #do the calculation - I was lazy so I used a built in function to do it for me
  names(Sensitivity) <- "Sens" #the name of the output
  Sensitivity
}

现在:

rpart_caret_fit <- train(Class~., 
                         data = Sonar,
                         method = "rpart", 
                         tuneLength = 20, 
                         metric = "Sens", #because of this line: names(Sensitivity) <- "Sens" 
                         maximize = TRUE,
                         trControl = trainControl(classProbs = TRUE,
                                                  method = "cv",
                                                  number = 5,
                                                  summaryFunction = Sensitivity.fc))

让我们检查一下两者是否产生相同的结果:

set.seed(1)
fit_sens <- train(Class~., 
                  data = Sonar,
                  method = "rpart", 
                  tuneLength = 20, 
                  metric = "Sens", 
                  maximize = TRUE,
                  trControl = trainControl(classProbs = TRUE,
                                           method = "cv",
                                           number = 5,
                                           summaryFunction = Sensitivity.fc))

set.seed(1)
fit_sens2 <- train(Class~., 
                   data = Sonar,
                   method = "rpart", 
                   tuneLength = 20, 
                   metric = "Sens", 
                   maximize = TRUE,
                   trControl = trainControl(classProbs = TRUE,
                                            method = "cv",
                                            number = 5,
                                            summaryFunction = twoClassSummary))

all.equal(fit_sens$results[c("cp", "Sens")],
          fit_sens2$results[c("cp", "Sens")])  

TRUE

all.equal(fit_sens$bestTune,
          fit_sens2$bestTune)
TRUE