神经网络与深度学习学习笔记：实现单隐层的神经网络

本文为吴恩达课程的编程大作业，需要建立的模型如下图所示：

---

依赖库

import numpy as np
import matplotlib.pyplot as plt
from testCases import *     #代码见文末附录
import sklearn
import sklearn.datasets
import sklearn.linear_model
from planar_utils import plot_decision_boundary, sigmoid, load_planar_dataset, load_extra_datasets  #代码见文末附录

安装sklearn

pip install -U scikit-learn

载入数据集

%matplotlib inline
np.random.seed(1) # set a seed so that the results are consistent

X, Y = load_planar_dataset()

所采用的数据集分布情况如下图所示，其中蓝色点为正例，红色点为反例：

plt.scatter(X[0, :], X[1, :], c=Y, s=40, cmap=plt.cm.Spectral);

使用shape方法得到数据集的矩阵形状与样本数量m：

shape_X = X.shape
shape_Y = Y.shape
m = shape_X[1]

线性回归

使用sklearn内置的函数检查线性回归在此数据集上的表现：

# Train the logistic regression classifier
clf = sklearn.linear_model.LogisticRegressionCV();
clf.fit(X.T, Y.T);

# Plot the decision boundary for logistic regression
plot_decision_boundary(lambda x: clf.predict(x), X, Y)
plt.title("Logistic Regression")

# Print accuracy
LR_predictions = clf.predict(X.T)
print ('Accuracy of logistic regression: %d ' % float((np.dot(Y,LR_predictions) + np.dot(1-Y,1-LR_predictions))/float(Y.size)*100) +
       '% ' + "(percentage of correctly labelled datapoints)")

由于数据的分布特征，可以看到线性回归表现非常糟糕：

神经网络模型

构建一个神经网络的通常步骤为：
- 构建神经网络框架
- 初始化各参数
- 迭代优化
- 前向传播
- 计算损失
- 反向传播
- 更新参数

模型框架

建立一个具有单隐层(设为4个节点)的神经网络模型，对于给定的输入X与标记Y，求得输入层与输出层的节点数：

def layer_sizes(X, Y):
    n_x = X.shape[0] # size of input layer
    n_h = 4
    n_y = Y.shape[0] # size of output layer

    return (n_x, n_h, n_y)

初始化模型参数

按照前文推导的各参数矩阵形状，对模型的参数矩阵进行初始化(不明白权重参数W为什么在随机化后要*0.01？)：

def initialize_parameters(n_x, n_h, n_y):
    np.random.seed(2)

    W1 = np.random.randn(n_h,n_x)*0.01
    b1 = np.zeros((n_h,1))
    W2 = np.random.randn(n_y,n_h)*0.01
    b2 = np.zeros((n_y,1))

    assert (W1.shape == (n_h, n_x))
    assert (b1.shape == (n_h, 1))
    assert (W2.shape == (n_y, n_h))
    assert (b2.shape == (n_y, 1))

    parameters = {"W1": W1,
                  "b1": b1,
                  "W2": W2,
                  "b2": b2}

    return parameters

前向传播

在推导反向传播过程时，容易发现Z[2]、Z[1]、A[2]、A[1]是常用到的变量，所以可以在每轮的前向传播中将其缓存起来并返回：

def forward_propagation(X, parameters):
    # Retrieve each parameter from the dictionary "parameters"
    W1 = parameters["W1"]
    b1 = parameters["b1"]
    W2 = parameters["W2"]
    b2 = parameters["b2"]

    # Implement Forward Propagation to calculate A2 (probabilities)
    Z1 = np.dot(W1,X)+b1
    A1 = np.tanh(Z1)
    Z2 = np.dot(W2,A1)+b2
    A2 = sigmoid(Z2)

    assert(A2.shape == (1, X.shape[1]))

    cache = {"Z1": Z1,
             "A1": A1,
             "Z2": Z2,
             "A2": A2}

    return A2, cache

计算损失

def compute_cost(A2, Y, parameters):
    m = Y.shape[1] # number of example

    # Compute the cross-entropy cost
    logprobs = np.multiply(np.log(A2),Y)+np.multiply(np.log(1-A2),1-Y)
    cost = - np.sum(logprobs)/m

    cost = np.squeeze(cost)     # makes sure cost is the dimension we expect. 
                                # E.g., turns [[17]] into 17 
    assert(isinstance(cost, float))

    return cost

反向传播

def backward_propagation(parameters, cache, X, Y):
    m = X.shape[1]

    # First, retrieve W1 and W2 from the dictionary "parameters".
    W1 = parameters["W1"]
    W2 = parameters["W2"]

    # Retrieve also A1 and A2 from dictionary "cache".
    A1 = cache["A1"]
    A2 = cache["A2"]

    # Backward propagation: calculate dW1, db1, dW2, db2. 
    dZ2 = A2-Y
    dW2 = np.dot(dZ2,A1.T)/m
    db2 = np.sum(dZ2,axis=1,keepdims=True)/m
    dZ1 = np.dot(W2.T,dZ2)*(1 - np.power(A1, 2))    #注意此处的元素相乘
    dW1 = np.dot(dZ1,X.T)/m
    db1 = np.sum(dZ1,axis=1,keepdims=True)/m

    grads = {"dW1": dW1,
             "db1": db1,
             "dW2": dW2,
             "db2": db2}

    return grads

梯度下降,更新参数

关于学习率的选择，与前文一致，太慢会导致学习速度过慢，而太快会导致多次错过最优解而导致学习曲线震荡。具体演示如下图：

代码实现：

def update_parameters(parameters, grads, learning_rate = 1.2):
    # Retrieve each parameter from the dictionary "parameters"
    W1 = parameters["W1"]
    b1 = parameters["b1"]
    W2 = parameters["W2"]
    b2 = parameters["b2"]

    # Retrieve each gradient from the dictionary "grads"
    dW1 = grads["dW1"]
    db1 = grads["db1"]
    dW2 = grads["dW2"]
    db2 = grads["db2"]

    # Update rule for each parameter
    W1 -= learning_rate*dW1
    b1 -= learning_rate*db1
    W2 -= learning_rate*dW2
    b2 -= learning_rate*db2

    parameters = {"W1": W1,
                  "b1": b1,
                  "W2": W2,
                  "b2": b2}

    return parameters

整合模型

def nn_model(X, Y, n_h, num_iterations = 10000, print_cost=False):
    np.random.seed(3)
    n_x = layer_sizes(X, Y)[0]
    n_y = layer_sizes(X, Y)[2]

    # Initialize parameters, then retrieve W1, b1, W2, b2. Inputs: "n_x, n_h, n_y". Outputs = "W1, b1, W2, b2, parameters".
    parameters = initialize_parameters(n_x,n_h,n_y)
    W1 = parameters["W1"]
    b1 = parameters["b1"]
    W2 = parameters["W2"]
    b2 = parameters["b2"]

    for i in range(0, num_iterations):
        A2, cache = forward_propagation(X,parameters)

        cost = compute_cost(A2,Y,parameters)

        grads = backward_propagation(parameters,cache,X,Y)

        parameters = update_parameters(parameters,grads)

        # Print the cost every 1000 iterations
        if print_cost and i % 1000 == 0:
            print ("Cost after iteration %i: %f" %(i, cost))

    return parameters

输出预测值

def predict(parameters, X):
    A2, cache = forward_propagation(X,parameters)
    predictions = (A2 > 0.5)    #A2矩阵中大于0.5的元素会被转为True,否则转为False

    return predictions

模型表现与评价

在训练数据集上的表现与拟合情况

# Build a model with a n_h-dimensional hidden layer
parameters = nn_model(X, Y, n_h = 4, num_iterations = 10000, print_cost=True)

# Plot the decision boundary
plot_decision_boundary(lambda x: predict(parameters, x.T), X, Y)
plt.title("Decision Boundary for hidden layer size " + str(4))

# Print accuracy
predictions = predict(parameters, X)
print ('Accuracy: %d' % float((np.dot(Y,predictions.T) + np.dot(1-Y,1-predictions.T))/float(Y.size)*100) + '%')

拟合情况：

9000次迭代之后的代价值为：0.2186，预测准确度为：90%。

考察不同隐层数量对模型的影响

plt.figure(figsize=(16, 32))
hidden_layer_sizes = [1, 2, 3, 4, 5, 10, 20]
for i, n_h in enumerate(hidden_layer_sizes):
    plt.subplot(5, 2, i+1)
    plt.title('Hidden Layer of size %d' % n_h)
    parameters = nn_model(X, Y, n_h, num_iterations = 5000)
    plot_decision_boundary(lambda x: predict(parameters, x.T), X, Y)
    predictions = predict(parameters, X)
    accuracy = float((np.dot(Y,predictions.T) + np.dot(1-Y,1-predictions.T))/float(Y.size)*100)
    print ("Accuracy for {} hidden units: {} %".format(n_h, accuracy))

输出：

可以看到最初随着隐层数量的增加，模型的拟合度也随之提高；随着模型的增大，模型出现了对数据集的过拟合现象。

在其他数据集上的表现

作业末附了另一组数据：

# Datasets
noisy_circles, noisy_moons, blobs, gaussian_quantiles, no_structure = load_extra_datasets()

datasets = {"noisy_circles": noisy_circles,
            "noisy_moons": noisy_moons,
            "blobs": blobs,
            "gaussian_quantiles": gaussian_quantiles}

### START CODE HERE ### (choose your dataset)
dataset = "gaussian_quantiles"
### END CODE HERE ###

X, Y = datasets[dataset]
X, Y = X.T, Y.reshape(1, Y.shape[0])

# make blobs binary
if dataset == "blobs":
    Y = Y%2

# Visualize the data
plt.scatter(X[0, :], X[1, :], c=Y, s=40, cmap=plt.cm.Spectral);

再次以不同的隐层数量来重新训练模型，查看效果：

plt.figure(figsize=(16, 32))
hidden_layer_sizes = [1, 2, 3, 4, 5, 10, 20]
for i, n_h in enumerate(hidden_layer_sizes):
    plt.subplot(5, 2, i+1)
    plt.title('Hidden Layer of size %d' % n_h)
    parameters = nn_model(X, Y, n_h, num_iterations = 5000)
    plot_decision_boundary(lambda x: predict(parameters, x.T), X, Y)
    predictions = predict(parameters, X)
    accuracy = float((np.dot(Y,predictions.T) + np.dot(1-Y,1-predictions.T))/float(Y.size)*100)
    print ("Accuracy for {} hidden units: {} %".format(n_h, accuracy))

结果：

附录

testCases.py

import numpy as np

def layer_sizes_test_case():
    np.random.seed(1)
    X_assess = np.random.randn(5, 3)
    Y_assess = np.random.randn(2, 3)
    return X_assess, Y_assess

def initialize_parameters_test_case():
    n_x, n_h, n_y = 2, 4, 1
    return n_x, n_h, n_y

def forward_propagation_test_case():
    np.random.seed(1)
    X_assess = np.random.randn(2, 3)

    parameters = {'W1': np.array([[-0.00416758, -0.00056267],
        [-0.02136196,  0.01640271],
        [-0.01793436, -0.00841747],
        [ 0.00502881, -0.01245288]]),
     'W2': np.array([[-0.01057952, -0.00909008,  0.00551454,  0.02292208]]),
     'b1': np.array([[ 0.],
        [ 0.],
        [ 0.],
        [ 0.]]),
     'b2': np.array([[ 0.]])}

    return X_assess, parameters

def compute_cost_test_case():
    np.random.seed(1)
    Y_assess = np.random.randn(1, 3)
    parameters = {'W1': np.array([[-0.00416758, -0.00056267],
        [-0.02136196,  0.01640271],
        [-0.01793436, -0.00841747],
        [ 0.00502881, -0.01245288]]),
     'W2': np.array([[-0.01057952, -0.00909008,  0.00551454,  0.02292208]]),
     'b1': np.array([[ 0.],
        [ 0.],
        [ 0.],
        [ 0.]]),
     'b2': np.array([[ 0.]])}

    a2 = (np.array([[ 0.5002307 ,  0.49985831,  0.50023963]]))

    return a2, Y_assess, parameters

def backward_propagation_test_case():
    np.random.seed(1)
    X_assess = np.random.randn(2, 3)
    Y_assess = np.random.randn(1, 3)
    parameters = {'W1': np.array([[-0.00416758, -0.00056267],
        [-0.02136196,  0.01640271],
        [-0.01793436, -0.00841747],
        [ 0.00502881, -0.01245288]]),
     'W2': np.array([[-0.01057952, -0.00909008,  0.00551454,  0.02292208]]),
     'b1': np.array([[ 0.],
        [ 0.],
        [ 0.],
        [ 0.]]),
     'b2': np.array([[ 0.]])}

    cache = {'A1': np.array([[-0.00616578,  0.0020626 ,  0.00349619],
         [-0.05225116,  0.02725659, -0.02646251],
         [-0.02009721,  0.0036869 ,  0.02883756],
         [ 0.02152675, -0.01385234,  0.02599885]]),
  'A2': np.array([[ 0.5002307 ,  0.49985831,  0.50023963]]),
  'Z1': np.array([[-0.00616586,  0.0020626 ,  0.0034962 ],
         [-0.05229879,  0.02726335, -0.02646869],
         [-0.02009991,  0.00368692,  0.02884556],
         [ 0.02153007, -0.01385322,  0.02600471]]),
  'Z2': np.array([[ 0.00092281, -0.00056678,  0.00095853]])}
    return parameters, cache, X_assess, Y_assess

def update_parameters_test_case():
    parameters = {'W1': np.array([[-0.00615039,  0.0169021 ],
        [-0.02311792,  0.03137121],
        [-0.0169217 , -0.01752545],
        [ 0.00935436, -0.05018221]]),
 'W2': np.array([[-0.0104319 , -0.04019007,  0.01607211,  0.04440255]]),
 'b1': np.array([[ -8.97523455e-07],
        [  8.15562092e-06],
        [  6.04810633e-07],
        [ -2.54560700e-06]]),
 'b2': np.array([[  9.14954378e-05]])}

    grads = {'dW1': np.array([[ 0.00023322, -0.00205423],
        [ 0.00082222, -0.00700776],
        [-0.00031831,  0.0028636 ],
        [-0.00092857,  0.00809933]]),
 'dW2': np.array([[ -1.75740039e-05,   3.70231337e-03,  -1.25683095e-03,
          -2.55715317e-03]]),
 'db1': np.array([[  1.05570087e-07],
        [ -3.81814487e-06],
        [ -1.90155145e-07],
        [  5.46467802e-07]]),
 'db2': np.array([[ -1.08923140e-05]])}
    return parameters, grads

def nn_model_test_case():
    np.random.seed(1)
    X_assess = np.random.randn(2, 3)
    Y_assess = np.random.randn(1, 3)
    return X_assess, Y_assess

def predict_test_case():
    np.random.seed(1)
    X_assess = np.random.randn(2, 3)
    parameters = {'W1': np.array([[-0.00615039,  0.0169021 ],
        [-0.02311792,  0.03137121],
        [-0.0169217 , -0.01752545],
        [ 0.00935436, -0.05018221]]),
     'W2': np.array([[-0.0104319 , -0.04019007,  0.01607211,  0.04440255]]),
     'b1': np.array([[ -8.97523455e-07],
        [  8.15562092e-06],
        [  6.04810633e-07],
        [ -2.54560700e-06]]),
     'b2': np.array([[  9.14954378e-05]])}
    return parameters, X_assess

planar_utils.py

import matplotlib.pyplot as plt
import numpy as np
import sklearn
import sklearn.datasets
import sklearn.linear_model

def plot_decision_boundary(model, X, y):
    # Set min and max values and give it some padding
    x_min, x_max = X[0, :].min() - 1, X[0, :].max() + 1
    y_min, y_max = X[1, :].min() - 1, X[1, :].max() + 1
    h = 0.01
    # Generate a grid of points with distance h between them
    xx, yy = np.meshgrid(np.arange(x_min, x_max, h), np.arange(y_min, y_max, h))
    # Predict the function value for the whole grid
    Z = model(np.c_[xx.ravel(), yy.ravel()])
    Z = Z.reshape(xx.shape)
    # Plot the contour and training examples
    plt.contourf(xx, yy, Z, cmap=plt.cm.Spectral)
    plt.ylabel('x2')
    plt.xlabel('x1')
    plt.scatter(X[0, :], X[1, :], c=y, cmap=plt.cm.Spectral)


def sigmoid(x):
    s = 1/(1+np.exp(-x))
    return s

def load_planar_dataset():
    np.random.seed(1)
    m = 400 # number of examples
    N = int(m/2) # number of points per class
    D = 2 # dimensionality
    X = np.zeros((m,D)) # data matrix where each row is a single example
    Y = np.zeros((m,1), dtype='uint8') # labels vector (0 for red, 1 for blue)
    a = 4 # maximum ray of the flower

    for j in range(2):
        ix = range(N*j,N*(j+1))
        t = np.linspace(j*3.12,(j+1)*3.12,N) + np.random.randn(N)*0.2 # theta
        r = a*np.sin(4*t) + np.random.randn(N)*0.2 # radius
        X[ix] = np.c_[r*np.sin(t), r*np.cos(t)]
        Y[ix] = j

    X = X.T
    Y = Y.T

    return X, Y

def load_extra_datasets():  
    N = 200
    noisy_circles = sklearn.datasets.make_circles(n_samples=N, factor=.5, noise=.3)
    noisy_moons = sklearn.datasets.make_moons(n_samples=N, noise=.2)
    blobs = sklearn.datasets.make_blobs(n_samples=N, random_state=5, n_features=2, centers=6)
    gaussian_quantiles = sklearn.datasets.make_gaussian_quantiles(mean=None, cov=0.5, n_samples=N, n_features=2, n_classes=2, shuffle=True, random_state=None)
    no_structure = np.random.rand(N, 2), np.random.rand(N, 2)

    return noisy_circles, noisy_moons, blobs, gaussian_quantiles, no_structure