machine-learning - 如何使用 Keras 过度拟合数据？
问题描述
我正在尝试使用 keras 和 tensorflow 构建一个简单的回归模型。在我的问题中，我有表单中的数据(x, y)，其中x和y只是数字。我想建立一个 keras 模型以预测y用作x输入。
因为我认为图像更好地解释了事情，所以这些是我的数据：
我们可以讨论它们是否好，但在我的问题中，我不能真正欺骗他们。
我的 keras 模型如下（数据分为 30% 测试(X_test, y_test)和 70% 训练(X_train, y_train)）：
model = tf.keras.Sequential()
model.add(tf.keras.layers.Dense(32, input_shape=() activation="relu", name="first_layer"))
model.add(tf.keras.layers.Dense(16, activation="relu", name="second_layer"))
model.add(tf.keras.layers.Dense(1, name="output_layer"))
model.compile(loss = "mean_squared_error", optimizer = "adam", metrics=["mse"] )
history = model.fit(X_train, y_train, epochs=500, batch_size=1, verbose=0, shuffle=False)
eval_result = model.evaluate(X_test, y_test)
print("\n\nTest loss:", eval_result, "\n")
predict_Y = model.predict(X)
注意：X同时包含X_test和X_train。
绘制我得到的预测（蓝色方块是预测predict_Y）
我经常使用图层、激活函数和其他参数。我的目标是找到训练模型的最佳参数，但这里的实际问题略有不同：事实上，我很难强迫模型过度拟合数据（从上面的结果可以看出）。
有没有人对如何重现过度拟合有某种想法？
这是我想要得到的结果：
（红点在蓝色方块下！）
编辑：
在这里，我为您提供上面示例中使用的数据：您可以将粘贴直接复制到 python 解释器：
X_train = [0.704619794270697, 0.6779457393024553, 0.8207082120250023, 0.8588819357831449, 0.8692320257603844, 0.6878750931810429, 0.9556331888763945, 0.77677964510883, 0.7211381534179618, 0.6438319113259414, 0.6478339581502052, 0.9710222750072649, 0.8952188423349681, 0.6303124926673513, 0.9640316662124185, 0.869691568491902, 0.8320164648420931, 0.8236399177660375, 0.8877334038470911, 0.8084042532069621, 0.8045680821762038]
y_train = [0.7766424210611557, 0.8210846773655833, 0.9996114311913593, 0.8041331063189883, 0.9980525368790883, 0.8164056182686034, 0.8925487603333683, 0.7758207470960685, 0.37345286573743475, 0.9325789202459493, 0.6060269037514895, 0.9319771743389491, 0.9990691225991941, 0.9320002808310418, 0.9992560731072977, 0.9980241561997089, 0.8882905258641204, 0.4678339275898943, 0.9312152374846061, 0.9542371205095945, 0.8885893668675711]
X_test = [0.9749191829308574, 0.8735366740730178, 0.8882783211709133, 0.8022891400991644, 0.8650601322313454, 0.8697902997857514, 1.0, 0.8165876695985228, 0.8923841531760973]
y_test = [0.975653685270635, 0.9096752789481569, 0.6653736469114154, 0.46367666660348744, 0.9991817903431941, 1.0, 0.9111205717076893, 0.5264993912088891, 0.9989199241685126]
X = [0.704619794270697, 0.77677964510883, 0.7211381534179618, 0.6478339581502052, 0.6779457393024553, 0.8588819357831449, 0.8045680821762038, 0.8320164648420931, 0.8650601322313454, 0.8697902997857514, 0.8236399177660375, 0.6878750931810429, 0.8923841531760973, 0.8692320257603844, 0.8877334038470911, 0.8735366740730178, 0.8207082120250023, 0.8022891400991644, 0.6303124926673513, 0.8084042532069621, 0.869691568491902, 0.9710222750072649, 0.9556331888763945, 0.8882783211709133, 0.8165876695985228, 0.6438319113259414, 0.8952188423349681, 0.9749191829308574, 1.0, 0.9640316662124185]
Y = [0.7766424210611557, 0.7758207470960685, 0.37345286573743475, 0.6060269037514895, 0.8210846773655833, 0.8041331063189883, 0.8885893668675711, 0.8882905258641204, 0.9991817903431941, 1.0, 0.4678339275898943, 0.8164056182686034, 0.9989199241685126, 0.9980525368790883, 0.9312152374846061, 0.9096752789481569, 0.9996114311913593, 0.46367666660348744, 0.9320002808310418, 0.9542371205095945, 0.9980241561997089, 0.9319771743389491, 0.8925487603333683, 0.6653736469114154, 0.5264993912088891, 0.9325789202459493, 0.9990691225991941, 0.975653685270635, 0.9111205717076893, 0.9992560731072977]
其中X包含 x 值和Y相应 y 值的列表。(X_test, y_test) 和 (X_train, y_train) 是 (X, Y) 的两个（非重叠）子集。
为了预测和显示模型结果，我只需使用 matplotlib（作为 plt 导入）：
predict_Y = model.predict(X)
plt.plot(X, Y, "ro", X, predict_Y, "bs")
plt.show()
解决方案
过拟合模型在现实生活中很少有用。在我看来，OP 很清楚这一点，但想看看 NN 是否确实能够拟合（有界）任意函数。一方面，示例中的输入-输出数据似乎没有遵循可辨别的模式。另一方面，输入和输出都是 [0, 1] 中的标量，训练集中只有 21 个数据点。
根据我的实验和结果，我们确实可以按要求过拟合。见下图。
数值结果：
x y_true y_pred error
0 0.704620 0.776642 0.773753 -0.002889
1 0.677946 0.821085 0.819597 -0.001488
2 0.820708 0.999611 0.999813 0.000202
3 0.858882 0.804133 0.805160 0.001026
4 0.869232 0.998053 0.997862 -0.000190
5 0.687875 0.816406 0.814692 -0.001714
6 0.955633 0.892549 0.893117 0.000569
7 0.776780 0.775821 0.779289 0.003469
8 0.721138 0.373453 0.374007 0.000554
9 0.643832 0.932579 0.912565 -0.020014
10 0.647834 0.606027 0.607253 0.001226
11 0.971022 0.931977 0.931549 -0.000428
12 0.895219 0.999069 0.999051 -0.000018
13 0.630312 0.932000 0.930252 -0.001748
14 0.964032 0.999256 0.999204 -0.000052
15 0.869692 0.998024 0.997859 -0.000165
16 0.832016 0.888291 0.887883 -0.000407
17 0.823640 0.467834 0.460728 -0.007106
18 0.887733 0.931215 0.932790 0.001575
19 0.808404 0.954237 0.960282 0.006045
20 0.804568 0.888589 0.906829 0.018240
{'me': -0.00015776709314323828,
'mae': 0.00329163070145315,
'mse': 4.0713782563067185e-05,
'rmse': 0.006380735268216915}
OP的代码对我来说似乎很好。我的变化很小：
- 使用更深层次的网络。实际上可能没有必要使用 30 层的深度，但由于我们只是想过度拟合，所以我没有对所需的最小深度进行太多实验。
- 每个 Dense 层有 50 个单位。同样，这可能是矫枉过正。
- 每 5 个密集层添加批量归一化层。
- 学习率降低了一半。
- 使用批处理中的所有 21 个训练示例进行更长时间的优化。
- 使用 MAE 作为目标函数。MSE 很好，但由于我们想要过拟合，我想像惩罚大错误一样惩罚小错误。
- 随机数在这里更重要，因为数据似乎是任意的。但是，如果您更改随机数种子并让优化器运行足够长的时间，您应该会得到类似的结果。在某些情况下，优化确实会陷入局部最小值，并且不会产生过度拟合（按照 OP 的要求）。
代码如下。
import numpy as np
import pandas as pd
import tensorflow as tf
from tensorflow.keras.layers import Input, Dense, BatchNormalization
from tensorflow.keras.models import Model
from tensorflow.keras.optimizers import Adam
import matplotlib.pyplot as plt
# Set seed just to have reproducible results
np.random.seed(84)
tf.random.set_seed(84)
# Load data from the post
# https://stackoverflow.com/questions/61252785/how-to-overfit-data-with-keras
X_train = np.array([0.704619794270697, 0.6779457393024553, 0.8207082120250023,
0.8588819357831449, 0.8692320257603844, 0.6878750931810429,
0.9556331888763945, 0.77677964510883, 0.7211381534179618,
0.6438319113259414, 0.6478339581502052, 0.9710222750072649,
0.8952188423349681, 0.6303124926673513, 0.9640316662124185,
0.869691568491902, 0.8320164648420931, 0.8236399177660375,
0.8877334038470911, 0.8084042532069621,
0.8045680821762038])
Y_train = np.array([0.7766424210611557, 0.8210846773655833, 0.9996114311913593,
0.8041331063189883, 0.9980525368790883, 0.8164056182686034,
0.8925487603333683, 0.7758207470960685,
0.37345286573743475, 0.9325789202459493,
0.6060269037514895, 0.9319771743389491, 0.9990691225991941,
0.9320002808310418, 0.9992560731072977, 0.9980241561997089,
0.8882905258641204, 0.4678339275898943, 0.9312152374846061,
0.9542371205095945, 0.8885893668675711])
X_test = np.array([0.9749191829308574, 0.8735366740730178, 0.8882783211709133,
0.8022891400991644, 0.8650601322313454, 0.8697902997857514,
1.0, 0.8165876695985228, 0.8923841531760973])
Y_test = np.array([0.975653685270635, 0.9096752789481569, 0.6653736469114154,
0.46367666660348744, 0.9991817903431941, 1.0,
0.9111205717076893, 0.5264993912088891, 0.9989199241685126])
X = np.array([0.704619794270697, 0.77677964510883, 0.7211381534179618,
0.6478339581502052, 0.6779457393024553, 0.8588819357831449,
0.8045680821762038, 0.8320164648420931, 0.8650601322313454,
0.8697902997857514, 0.8236399177660375, 0.6878750931810429,
0.8923841531760973, 0.8692320257603844, 0.8877334038470911,
0.8735366740730178, 0.8207082120250023, 0.8022891400991644,
0.6303124926673513, 0.8084042532069621, 0.869691568491902,
0.9710222750072649, 0.9556331888763945, 0.8882783211709133,
0.8165876695985228, 0.6438319113259414, 0.8952188423349681,
0.9749191829308574, 1.0, 0.9640316662124185])
Y = np.array([0.7766424210611557, 0.7758207470960685, 0.37345286573743475,
0.6060269037514895, 0.8210846773655833, 0.8041331063189883,
0.8885893668675711, 0.8882905258641204, 0.9991817903431941, 1.0,
0.4678339275898943, 0.8164056182686034, 0.9989199241685126,
0.9980525368790883, 0.9312152374846061, 0.9096752789481569,
0.9996114311913593, 0.46367666660348744, 0.9320002808310418,
0.9542371205095945, 0.9980241561997089, 0.9319771743389491,
0.8925487603333683, 0.6653736469114154, 0.5264993912088891,
0.9325789202459493, 0.9990691225991941, 0.975653685270635,
0.9111205717076893, 0.9992560731072977])
# Reshape all data to be of the shape (batch_size, 1)
X_train = X_train.reshape((-1, 1))
Y_train = Y_train.reshape((-1, 1))
X_test = X_test.reshape((-1, 1))
Y_test = Y_test.reshape((-1, 1))
X = X.reshape((-1, 1))
Y = Y.reshape((-1, 1))
# Is data scaled? NNs do well with bounded data.
assert np.all(X_train >= 0) and np.all(X_train <= 1)
assert np.all(Y_train >= 0) and np.all(Y_train <= 1)
assert np.all(X_test >= 0) and np.all(X_test <= 1)
assert np.all(Y_test >= 0) and np.all(Y_test <= 1)
assert np.all(X >= 0) and np.all(X <= 1)
assert np.all(Y >= 0) and np.all(Y <= 1)
# Build a model with variable number of hidden layers.
# We will use Keras functional API.
# https://www.perfectlyrandom.org/2019/06/24/a-guide-to-keras-functional-api/
n_dense_layers = 30 # increase this to get more complicated models
# Define the layers first.
input_tensor = Input(shape=(1,), name='input')
layers = []
for i in range(n_dense_layers):
layers += [Dense(units=50, activation='relu', name=f'dense_layer_{i}')]
if (i > 0) & (i % 5 == 0):
# avg over batches not features
layers += [BatchNormalization(axis=1)]
sigmoid_layer = Dense(units=1, activation='sigmoid', name='sigmoid_layer')
# Connect the layers using Keras Functional API
mid_layer = input_tensor
for dense_layer in layers:
mid_layer = dense_layer(mid_layer)
output_tensor = sigmoid_layer(mid_layer)
model = Model(inputs=[input_tensor], outputs=[output_tensor])
optimizer = Adam(learning_rate=0.0005)
model.compile(optimizer=optimizer, loss='mae', metrics=['mae'])
model.fit(x=[X_train], y=[Y_train], epochs=40000, batch_size=21)
# Predict on various datasets
Y_train_pred = model.predict(X_train)
# Create a dataframe to inspect results manually
train_df = pd.DataFrame({
'x': X_train.reshape((-1)),
'y_true': Y_train.reshape((-1)),
'y_pred': Y_train_pred.reshape((-1))
})
train_df['error'] = train_df['y_pred'] - train_df['y_true']
print(train_df)
# A dictionary to store all the errors in one place.
train_errors = {
'me': np.mean(train_df['error']),
'mae': np.mean(np.abs(train_df['error'])),
'mse': np.mean(np.square(train_df['error'])),
'rmse': np.sqrt(np.mean(np.square(train_df['error']))),
}
print(train_errors)
# Make a plot to visualize true vs predicted
plt.figure(1)
plt.clf()
plt.plot(train_df['x'], train_df['y_true'], 'r.', label='y_true')
plt.plot(train_df['x'], train_df['y_pred'], 'bo', alpha=0.25, label='y_pred')
plt.grid(True)
plt.xlabel('x')
plt.ylabel('y')
plt.title(f'Train data. MSE={np.round(train_errors["mse"], 5)}.')
plt.legend()
plt.show(block=False)
plt.savefig('true_vs_pred.png')
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