根据输出值自定义加权二进制交叉熵

Question

在tensorflow中，我的输入形状(...,100)，如0.21630094、0.21316614、0.21630094 .值介于(0到1)之间，并且输出的大小也是100，仅包含0和1值，如0 1 0 0.。我使用keras/tensorflow创建了CNN，其输出层如下：

model.add(layers.Dense(100, activation='sigmoid'))

我使用二进制交叉熵作为损失函数，例如：

model.compile(optimizer=opt,
          loss='binary_crossentropy',
          metrics=['acc'])

在我的数据中，我可以说输出中出现1值的概率是%5-10。按字数排列，只有5-10个值是1，所有其他值在输出中都是0。因此，当我训练我的模型的准确性迅速变成%90，之后，不要增加。下面的预测结果表明，我的模型倾向于只预测0值。

[0.00990906 0.00991494 0.0100315  0.00985315 0.00996962 0.01004039 0.00997209 ..]

我的问题是，如何增加输出1值对损失函数的影响。我无法使用类权值，因为我无法知道输出层的哪个节点发生了1个值。

Answer 1

数据似乎存在class imbalance问题，因此您将得到5%到10 %的输出作为1。

处理不平衡数据的常用技术，如：

1. 类别加权
2. 过采样

代码：

import tensorflow as tf
from tensorflow import keras
import os
import tempfile

import matplotlib as mpl
import matplotlib.pyplot as plt
import numpy as np
import pandas as pd
import seaborn as sns

import sklearn
from sklearn.metrics import confusion_matrix
from sklearn.model_selection import train_test_split
from sklearn.preprocessing import StandardScaler

mpl.rcParams['figure.figsize'] = (12, 10)
colors = plt.rcParams['axes.prop_cycle'].by_key()['color']

# Download the Kaggle Credit Card Fraud data set
file = tf.keras.utils
raw_df = pd.read_csv('https://storage.googleapis.com/download.tensorflow.org/data/creditcard.csv')
raw_df.head()

raw_df[['Time', 'V1', 'V2', 'V3', 'V4', 'V5', 'V26', 'V27', 'V28', 'Amount', 'Class']].describe()

# Examine the class label imbalance
neg, pos = np.bincount(raw_df['Class'])
total = neg + pos
print('Examples:\n    Total: {}\n    Positive: {} ({:.2f}% of total)\n'.format(
    total, pos, 100 * pos / total))

# Clean, split and normalize the data
cleaned_df = raw_df.copy()

# You don't want the `Time` column.
cleaned_df.pop('Time')

# The `Amount` column covers a huge range. Convert to log-space.
eps=0.001 # 0 => 0.1¢
cleaned_df['Log Amount'] = np.log(cleaned_df.pop('Amount')+eps)

# Use a utility from sklearn to split and shuffle our dataset.
train_df, test_df = train_test_split(cleaned_df, test_size=0.2)
train_df, val_df = train_test_split(train_df, test_size=0.2)

# Form np arrays of labels and features.
train_labels = np.array(train_df.pop('Class'))
bool_train_labels = train_labels != 0
val_labels = np.array(val_df.pop('Class'))
test_labels = np.array(test_df.pop('Class'))

train_features = np.array(train_df)
val_features = np.array(val_df)
test_features = np.array(test_df)

scaler = StandardScaler()
train_features = scaler.fit_transform(train_features)

val_features = scaler.transform(val_features)
test_features = scaler.transform(test_features)

train_features = np.clip(train_features, -5, 5)
val_features = np.clip(val_features, -5, 5)
test_features = np.clip(test_features, -5, 5)


print('Training labels shape:', train_labels.shape)
print('Validation labels shape:', val_labels.shape)
print('Test labels shape:', test_labels.shape)

print('Training features shape:', train_features.shape)
print('Validation features shape:', val_features.shape)
print('Test features shape:', test_features.shape)

#Look at the data distribution

pos_df = pd.DataFrame(train_features[ bool_train_labels], columns = train_df.columns)
neg_df = pd.DataFrame(train_features[~bool_train_labels], columns = train_df.columns)

sns.jointplot(pos_df['V5'], pos_df['V6'],
              kind='hex', xlim = (-5,5), ylim = (-5,5))
plt.suptitle("Positive distribution")

sns.jointplot(neg_df['V5'], neg_df['V6'],
              kind='hex', xlim = (-5,5), ylim = (-5,5))
_ = plt.suptitle("Negative distribution")

# Define the model and metrics
METRICS = [
      keras.metrics.TruePositives(name='tp'),
      keras.metrics.FalsePositives(name='fp'),
      keras.metrics.TrueNegatives(name='tn'),
      keras.metrics.FalseNegatives(name='fn'), 
      keras.metrics.BinaryAccuracy(name='accuracy'),
      keras.metrics.Precision(name='precision'),
      keras.metrics.Recall(name='recall'),
      keras.metrics.AUC(name='auc'),
]

def make_model(metrics = METRICS, output_bias=None):
  if output_bias is not None:
    output_bias = tf.keras.initializers.Constant(output_bias)
  model = keras.Sequential([
      keras.layers.Dense(
          16, activation='relu',
          input_shape=(train_features.shape[-1],)),
      keras.layers.Dropout(0.5),
      keras.layers.Dense(1, activation='sigmoid',
                         bias_initializer=output_bias),
  ])

  model.compile(
      optimizer=keras.optimizers.Adam(lr=1e-3),
      loss=keras.losses.BinaryCrossentropy(),
      metrics=metrics)

  return model

# Baseline model
# Build the model

EPOCHS = 100
BATCH_SIZE = 2048

early_stopping = tf.keras.callbacks.EarlyStopping(
    monitor='val_auc', 
    verbose=1,
    patience=10,
    mode='max',
    restore_best_weights=True)

model = make_model()
model.summary()

# Test run the model:
model.predict(train_features[:10])

results = model.evaluate(train_features, train_labels, batch_size=BATCH_SIZE, verbose=0)
print("Loss: {:0.4f}".format(results[0]))

#Optional: Set the correct initial bias

initial_bias = np.log([pos/neg])
initial_bias

model = make_model(output_bias = initial_bias)
model.predict(train_features[:10])

results = model.evaluate(train_features, train_labels, batch_size=BATCH_SIZE, verbose=0)
print("Loss: {:0.4f}".format(results[0]))

# Checkpoint the initial weights

initial_weights = os.path.join(tempfile.mkdtemp(),'initial_weights')
model.save_weights(initial_weights)

# Confirm that the bias fix helps

model = make_model()
model.load_weights(initial_weights)
model.layers[-1].bias.assign([0.0])
zero_bias_history = model.fit(
    train_features,
    train_labels,
    batch_size=BATCH_SIZE,
    epochs=20,
    validation_data=(val_features, val_labels), 
    verbose=0)

model = make_model()
model.load_weights(initial_weights)
careful_bias_history = model.fit(
    train_features,
    train_labels,
    batch_size=BATCH_SIZE,
    epochs=20,
    validation_data=(val_features, val_labels), 
    verbose=0)

def plot_loss(history, label, n):
  # Use a log scale to show the wide range of values.
  plt.semilogy(history.epoch,  history.history['loss'],
               color=colors[n], label='Train '+label)
  plt.semilogy(history.epoch,  history.history['val_loss'],
          color=colors[n], label='Val '+label,
          linestyle="--")
  plt.xlabel('Epoch')
  plt.ylabel('Loss')

  plt.legend()

plot_loss(zero_bias_history, "Zero Bias", 0)
plot_loss(careful_bias_history, "Careful Bias", 1)

# Train the model

model = make_model()
model.load_weights(initial_weights)
baseline_history = model.fit(
    train_features,
    train_labels,
    batch_size=BATCH_SIZE,
    epochs=EPOCHS,
    callbacks = [early_stopping],
    validation_data=(val_features, val_labels))

# Check training history

def plot_metrics(history):
  metrics =  ['loss', 'auc', 'precision', 'recall']
  for n, metric in enumerate(metrics):
    name = metric.replace("_"," ").capitalize()
    plt.subplot(2,2,n+1)
    plt.plot(history.epoch,  history.history[metric], color=colors[0], label='Train')
    plt.plot(history.epoch, history.history['val_'+metric],
             color=colors[0], linestyle="--", label='Val')
    plt.xlabel('Epoch')
    plt.ylabel(name)
    if metric == 'loss':
      plt.ylim([0, plt.ylim()[1]])
    elif metric == 'auc':
      plt.ylim([0.8,1])
    else:
      plt.ylim([0,1])

    plt.legend()

plot_metrics(baseline_history)

# Evaluate metrics

train_predictions_baseline = model.predict(train_features, batch_size=BATCH_SIZE)
test_predictions_baseline = model.predict(test_features, batch_size=BATCH_SIZE)

def plot_cm(labels, predictions, p=0.5):
  cm = confusion_matrix(labels, predictions > p)
  plt.figure(figsize=(5,5))
  sns.heatmap(cm, annot=True, fmt="d")
  plt.title('Confusion matrix @{:.2f}'.format(p))
  plt.ylabel('Actual label')
  plt.xlabel('Predicted label')

  print('Legitimate Transactions Detected (True Negatives): ', cm[0][0])
  print('Legitimate Transactions Incorrectly Detected (False Positives): ', cm[0][1])
  print('Fraudulent Transactions Missed (False Negatives): ', cm[1][0])
  print('Fraudulent Transactions Detected (True Positives): ', cm[1][1])
  print('Total Fraudulent Transactions: ', np.sum(cm[1]))

baseline_results = model.evaluate(test_features, test_labels,
                                  batch_size=BATCH_SIZE, verbose=0)
for name, value in zip(model.metrics_names, baseline_results):
  print(name, ': ', value)
print()

plot_cm(test_labels, test_predictions_baseline)

#Plot the ROC

def plot_roc(name, labels, predictions, **kwargs):
  fp, tp, _ = sklearn.metrics.roc_curve(labels, predictions)

  plt.plot(100*fp, 100*tp, label=name, linewidth=2, **kwargs)
  plt.xlabel('False positives [%]')
  plt.ylabel('True positives [%]')
  plt.xlim([-0.5,20])
  plt.ylim([80,100.5])
  plt.grid(True)
  ax = plt.gca()
  ax.set_aspect('equal')

plot_roc("Train Baseline", train_labels, train_predictions_baseline, color=colors[0])
plot_roc("Test Baseline", test_labels, test_predictions_baseline, color=colors[0], linestyle='--')
plt.legend(loc='lower right')

#
### Class weights ###
#Calculate class weights

# Scaling by total/2 helps keep the loss to a similar magnitude.
# The sum of the weights of all examples stays the same.
weight_for_0 = (1 / neg)*(total)/2.0 
weight_for_1 = (1 / pos)*(total)/2.0

class_weight = {0: weight_for_0, 1: weight_for_1}

print('Weight for class 0: {:.2f}'.format(weight_for_0))
print('Weight for class 1: {:.2f}'.format(weight_for_1))

# Train a model with class weights

weighted_model = make_model()
weighted_model.load_weights(initial_weights)

weighted_history = weighted_model.fit(
    train_features,
    train_labels,
    batch_size=BATCH_SIZE,
    epochs=EPOCHS,
    callbacks = [early_stopping],
    validation_data=(val_features, val_labels),
    # The class weights go here
    class_weight=class_weight) 

#Check training history

plot_metrics(weighted_history)

# Evaluate metrics

train_predictions_weighted = weighted_model.predict(train_features, batch_size=BATCH_SIZE)
test_predictions_weighted = weighted_model.predict(test_features, batch_size=BATCH_SIZE)

weighted_results = weighted_model.evaluate(test_features, test_labels,
                                           batch_size=BATCH_SIZE, verbose=0)
for name, value in zip(weighted_model.metrics_names, weighted_results):
  print(name, ': ', value)
print()

plot_cm(test_labels, test_predictions_weighted)

# Plot the ROC

plot_roc("Train Baseline", train_labels, train_predictions_baseline, color=colors[0])
plot_roc("Test Baseline", test_labels, test_predictions_baseline, color=colors[0], linestyle='--')

plot_roc("Train Weighted", train_labels, train_predictions_weighted, color=colors[1])
plot_roc("Test Weighted", test_labels, test_predictions_weighted, color=colors[1], linestyle='--')


plt.legend(loc='lower right')


### Oversampling ###

pos_features = train_features[bool_train_labels]
neg_features = train_features[~bool_train_labels]

pos_labels = train_labels[bool_train_labels]
neg_labels = train_labels[~bool_train_labels]

# You can balance the dataset manually by choosing the right number of random indices from the positive examples:

ids = np.arange(len(pos_features))
choices = np.random.choice(ids, len(neg_features))

res_pos_features = pos_features[choices]
res_pos_labels = pos_labels[choices]

res_pos_features.shape

resampled_features = np.concatenate([res_pos_features, neg_features], axis=0)
resampled_labels = np.concatenate([res_pos_labels, neg_labels], axis=0)

order = np.arange(len(resampled_labels))
np.random.shuffle(order)
resampled_features = resampled_features[order]
resampled_labels = resampled_labels[order]

resampled_features.shape

# Using tf.data

BUFFER_SIZE = 100000

def make_ds(features, labels):
  ds = tf.data.Dataset.from_tensor_slices((features, labels))#.cache()
  ds = ds.shuffle(BUFFER_SIZE).repeat()
  return ds

pos_ds = make_ds(pos_features, pos_labels)
neg_ds = make_ds(neg_features, neg_labels)


for features, label in pos_ds.take(1):
  print("Features:\n", features.numpy())
  print()
  print("Label: ", label.numpy())

resampled_ds = tf.data.experimental.sample_from_datasets([pos_ds, neg_ds], weights=[0.5, 0.5])
resampled_ds = resampled_ds.batch(BATCH_SIZE).prefetch(2)

for features, label in resampled_ds.take(1):
  print(label.numpy().mean())

# Train on the oversampled data

resampled_model = make_model()
resampled_model.load_weights(initial_weights)

# Reset the bias to zero, since this dataset is balanced.
output_layer = resampled_model.layers[-1] 
output_layer.bias.assign([0])

val_ds = tf.data.Dataset.from_tensor_slices((val_features, val_labels)).cache()
val_ds = val_ds.batch(BATCH_SIZE).prefetch(2) 

resampled_history = resampled_model.fit(
    resampled_ds,
    epochs=EPOCHS,
    steps_per_epoch=resampled_steps_per_epoch,
    callbacks = [early_stopping],
    validation_data=val_ds)

# Check training history

plot_metrics(resampled_history )

# Re-train

resampled_model = make_model()
resampled_model.load_weights(initial_weights)

# Reset the bias to zero, since this dataset is balanced.
output_layer = resampled_model.layers[-1] 
output_layer.bias.assign([0])

resampled_history = resampled_model.fit(
    resampled_ds,
    # These are not real epochs
    steps_per_epoch = 20,
    epochs=10*EPOCHS,
    callbacks = [early_stopping],
    validation_data=(val_ds))

# Re-check training history 
plot_metrics(resampled_history)


# Evaluate metrics

train_predictions_resampled = resampled_model.predict(train_features, batch_size=BATCH_SIZE)
test_predictions_resampled = resampled_model.predict(test_features, batch_size=BATCH_SIZE)

resampled_results = resampled_model.evaluate(test_features, test_labels,
                                             batch_size=BATCH_SIZE, verbose=0)
for name, value in zip(resampled_model.metrics_names, resampled_results):
  print(name, ': ', value)
print()

plot_cm(test_labels, test_predictions_resampled)

# Plot the ROC

plot_roc("Train Baseline", train_labels, train_predictions_baseline, color=colors[0])
plot_roc("Test Baseline", test_labels, test_predictions_baseline, color=colors[0], linestyle='--')

plot_roc("Train Weighted", train_labels, train_predictions_weighted, color=colors[1])
plot_roc("Test Weighted", test_labels, test_predictions_weighted, color=colors[1], linestyle='--')

plot_roc("Train Resampled", train_labels, train_predictions_resampled,  color=colors[2])
plot_roc("Test Resampled", test_labels, test_predictions_resampled,  color=colors[2], linestyle='--')
plt.legend(loc='lower right')

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