绘制多类问题的ROC曲线

Question

我正在尝试将sklearn的 ROC扩展到多类的思想应用于我的数据集。我的每个类别的ROC曲线看起来都像是一条直线，与sklearn示例中波动的曲线不同。

下面是我提供的一个MWE以说明我的意思：

# all imports
import numpy as np
import matplotlib.pyplot as plt
from itertools import cycle
from sklearn import svm, datasets
from sklearn.metrics import roc_curve, auc
from sklearn.model_selection import train_test_split
from sklearn.preprocessing import label_binarize
from sklearn.datasets import  make_classification
from sklearn.ensemble import RandomForestClassifier
# dummy dataset
X, y = make_classification(10000, n_classes=5, n_informative=10, weights=[.04, .4, .12, .5, .04])
train, test, ytrain, ytest = train_test_split(X, y, test_size=.3, random_state=42)

# random forest model
model = RandomForestClassifier()
model.fit(train, ytrain)
yhat = model.predict(test)

以下函数绘制ROC曲线：

def plot_roc_curve(y_test, y_pred):
  
  n_classes = len(np.unique(y_test))
  y_test = label_binarize(y_test, classes=np.arange(n_classes))
  y_pred = label_binarize(y_pred, classes=np.arange(n_classes))

  # Compute ROC curve and ROC area for each class
  fpr = dict()
  tpr = dict()
  roc_auc = dict()
  for i in range(n_classes):
    fpr[i], tpr[i], _ = roc_curve(y_test[:, i], y_pred[:, i])
    roc_auc[i] = auc(fpr[i], tpr[i])
  
  # Compute micro-average ROC curve and ROC area
  fpr["micro"], tpr["micro"], _ = roc_curve(y_test.ravel(), y_pred.ravel())
  roc_auc["micro"] = auc(fpr["micro"], tpr["micro"])

  # First aggregate all false positive rates
  all_fpr = np.unique(np.concatenate([fpr[i] for i in range(n_classes)]))

  # Then interpolate all ROC curves at this points
  mean_tpr = np.zeros_like(all_fpr)
  for i in range(n_classes):
    mean_tpr += np.interp(all_fpr, fpr[i], tpr[i])

  # Finally average it and compute AUC
  mean_tpr /= n_classes

  fpr["macro"] = all_fpr
  tpr["macro"] = mean_tpr
  roc_auc["macro"] = auc(fpr["macro"], tpr["macro"])

  # Plot all ROC curves
  #plt.figure(figsize=(10,5))
  plt.figure(dpi=600)
  lw = 2
  plt.plot(fpr["micro"], tpr["micro"],
    label="micro-average ROC curve (area = {0:0.2f})".format(roc_auc["micro"]),
    color="deeppink", linestyle=":", linewidth=4,)

  plt.plot(fpr["macro"], tpr["macro"],
    label="macro-average ROC curve (area = {0:0.2f})".format(roc_auc["macro"]),
    color="navy", linestyle=":", linewidth=4,)

  colors = cycle(["aqua", "darkorange", "darkgreen", "yellow", "blue"])
  for i, color in zip(range(n_classes), colors):
    plt.plot(fpr[i], tpr[i], color=color, lw=lw,
        label="ROC curve of class {0} (area = {1:0.2f})".format(i, roc_auc[i]),)

  plt.plot([0, 1], [0, 1], "k--", lw=lw)
  plt.xlim([0.0, 1.0])
  plt.ylim([0.0, 1.05])
  plt.xlabel("False Positive Rate")
  plt.ylabel("True Positive Rate")
  plt.title("Receiver Operating Characteristic (ROC) curve")
  plt.legend()

输出：

plot_roc_curve(ytest, yhat)

一条直线弯曲一次。我希望能够看到不同阈值下的模型表现，而不仅仅是一个阈值，类似于sklearn的示例中展示的3类情况的图形：

- user12587364

Answer 1

• Point is that you're using predict() rather than predict_proba()/decision_function() to define your y_hat. This means - considering that the threshold vector is defined by the number of distinct values in y_hat (see here for reference), that you'll have few thresholds per class only on which tpr and fpr are computed (which in turn implies that your curves are evaluated at few points only).

• Indeed, consider what the doc says to pass to y_scores in roc_curve(), either prob estimates or decision values. In the example from sklearn, decision values are used to compute the scores. Given that you're considering a RandomForestClassifier(), considering probability estimates in your y_hat should be the way to go.

• What's the point then of label-binarizing the output? The standard definition for ROC is in terms of binary classification. To pass to a multiclass problem, you have to convert your problem into binary by using OneVsAll approach, so that you'll have n_class number of ROC curves. (Observe, indeed, that as SVC() handles multiclass problems in a OvO fashion by default, in the example they had to force to use OvA by applying OneVsRestClassifier constructor; with a RandomForestClassifier you don't have such problem as that's inherently multiclass, see here for reference). In these terms, once you switch to predict_proba() you'll see there's no much sense in label binarizing predictions.

   # all imports
   import numpy as np
   import matplotlib.pyplot as plt
   from itertools import cycle
   from sklearn import svm, datasets
   from sklearn.metrics import roc_curve, auc
   from sklearn.model_selection import train_test_split
   from sklearn.preprocessing import label_binarize
   from sklearn.datasets import  make_classification
   from sklearn.ensemble import RandomForestClassifier
   # dummy dataset
   X, y = make_classification(10000, n_classes=5, n_informative=10, weights=[.04, .4, .12, .5, .04])
   train, test, ytrain, ytest = train_test_split(X, y, test_size=.3, random_state=42)
  
   # random forest model
   model = RandomForestClassifier()
   model.fit(train, ytrain)
   yhat = model.predict_proba(test)
  
   def plot_roc_curve(y_test, y_pred):
       n_classes = len(np.unique(y_test))
       y_test = label_binarize(y_test, classes=np.arange(n_classes))
  
       # Compute ROC curve and ROC area for each class
       fpr = dict()
       tpr = dict()
       roc_auc = dict()
       thresholds = dict()
       for i in range(n_classes):
         fpr[i], tpr[i], thresholds[i] = roc_curve(y_test[:, i], y_pred[:, i], drop_intermediate=False)
       roc_auc[i] = auc(fpr[i], tpr[i])
  
       # Compute micro-average ROC curve and ROC area
       fpr["micro"], tpr["micro"], _ = roc_curve(y_test.ravel(), y_pred.ravel())
       roc_auc["micro"] = auc(fpr["micro"], tpr["micro"])
  
       # First aggregate all false positive rates
       all_fpr = np.unique(np.concatenate([fpr[i] for i in range(n_classes)]))
  
       # Then interpolate all ROC curves at this points
       mean_tpr = np.zeros_like(all_fpr)
       for i in range(n_classes):
         mean_tpr += np.interp(all_fpr, fpr[i], tpr[i])
  
       # Finally average it and compute AUC
       mean_tpr /= n_classes
  
       fpr["macro"] = all_fpr
       tpr["macro"] = mean_tpr
       roc_auc["macro"] = auc(fpr["macro"], tpr["macro"])
  
       # Plot all ROC curves
       #plt.figure(figsize=(10,5))
       plt.figure(dpi=600)
       lw = 2
       plt.plot(fpr["micro"], tpr["micro"],
       label="micro-average ROC curve (area = {0:0.2f})".format(roc_auc["micro"]),
       color="deeppink", linestyle=":", linewidth=4,)
  
       plt.plot(fpr["macro"], tpr["macro"],
       label="macro-average ROC curve (area = {0:0.2f})".format(roc_auc["macro"]),
       color="navy", linestyle=":", linewidth=4,)
  
       colors = cycle(["aqua", "darkorange", "darkgreen", "yellow", "blue"])
       for i, color in zip(range(n_classes), colors):
         plt.plot(fpr[i], tpr[i], color=color, lw=lw,
         label="ROC curve of class {0} (area = {1:0.2f})".format(i, roc_auc[i]),)
  
       plt.plot([0, 1], [0, 1], "k--", lw=lw)
       plt.xlim([0.0, 1.0])
       plt.ylim([0.0, 1.05])
       plt.xlabel("False Positive Rate")
       plt.ylabel("True Positive Rate")
       plt.title("Receiver Operating Characteristic (ROC) curve")
       plt.legend()
  

最后，请注意 roc_curve() 函数还有一个 drop_intermediate 参数，用于删除不太优秀的阈值（这可能会很有用）。

- amiola

---

啊，我明白了。非常感谢您的解释。 - user12587364

Answer 2

仅更新@amiola的答案：我遇到了非单调类的问题，导致非常奇怪的模糊结果。在这种情况下，对上述函数进行一点修改将非常有效：

classes = sorted(list(y_test['label'].unique()))

在 label_binarize 行中使用此代码：

y_test = label_binarize(y_test, classes=classes)

然后当你需要在函数中使用范围时，只需使用：

range(len(classes))

感谢@dx2-66的答案。你可以在这里查看更多详细信息。

- Yana