吴恩达 深度学习 编程作业（2-2）- Optimization Methods

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吴恩达Coursera课程 DeepLearning.ai 编程作业系列，本文为《改善深层神经网络：超参数调试、正则化以及优化 》部分的第二周“优化算法”的课程作业，同时增加了一些辅助的测试函数。

另外，本节课程笔记在此：《 吴恩达Coursera深度学习课程 DeepLearning.ai 提炼笔记（2-2）– 优化算法》，如有任何建议和问题，欢迎留言。

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Optimization Methods

Until now, you’ve always used Gradient Descent to update the parameters and minimize the cost. In this notebook, you will learn more advanced optimization methods that can speed up learning and perhaps even get you to a better final value for the cost function. Having a good optimization algorithm can be the difference between waiting days vs. just a few hours to get a good result.

Gradient descent goes “downhill” on a cost function $J$. Think of it as trying to do this:

Figure 1 : Minimizing the cost is like finding the lowest point in a hilly landscape
At each step of the training, you update your parameters following a certain direction to try to get to the lowest possible point.

Notations: As usual, $\frac{\partial J}{\partial a } =$ da for any variable a.

To get started, run the following code to import the libraries you will need.

import numpy as np
import matplotlib.pyplot as plt
import scipy.io
import math
import sklearn
import sklearn.datasets

from opt_utils import load_params_and_grads, initialize_parameters, forward_propagation, backward_propagation
from opt_utils import compute_cost, predict, predict_dec, plot_decision_boundary, load_dataset
from testCases import *

%matplotlib inline
plt.rcParams['figure.figsize'] = (7.0, 4.0) # set default size of plots
plt.rcParams['image.interpolation'] = 'nearest'
plt.rcParams['image.cmap'] = 'gray'

You can get the support code from here.

There are some help function：

def load_params_and_grads(seed=1):
    np.random.seed(seed)
    W1 = np.random.randn(2,3)
    b1 = np.random.randn(2,1)
    W2 = np.random.randn(3,3)
    b2 = np.random.randn(3,1)

    dW1 = np.random.randn(2,3)
    db1 = np.random.randn(2,1)
    dW2 = np.random.randn(3,3)
    db2 = np.random.randn(3,1)

    return W1, b1, W2, b2, dW1, db1, dW2, db2


def initialize_parameters(layer_dims):
    """
    Arguments:
    layer_dims -- python array (list) containing the dimensions of each layer in our network

    Returns:
    parameters -- python dictionary containing your parameters "W1", "b1", ..., "WL", "bL":
                    W1 -- weight matrix of shape (layer_dims[l], layer_dims[l-1])
                    b1 -- bias vector of shape (layer_dims[l], 1)
                    Wl -- weight matrix of shape (layer_dims[l-1], layer_dims[l])
                    bl -- bias vector of shape (1, layer_dims[l])

    Tips:
    - For example: the layer_dims for the "Planar Data classification model" would have been [2,2,1]. 
    This means W1's shape was (2,2), b1 was (1,2), W2 was (2,1) and b2 was (1,1). Now you have to generalize it!
    - In the for loop, use parameters['W' + str(l)] to access Wl, where l is the iterative integer.
    """

    np.random.seed(3)
    parameters = {}
    L = len(layer_dims) # number of layers in the network

    for l in range(1, L):
        parameters['W' + str(l)] = np.random.randn(layer_dims[l], layer_dims[l-1])*  np.sqrt(2 / layer_dims[l-1])
        parameters['b' + str(l)] = np.zeros((layer_dims[l], 1))

        assert(parameters['W' + str(l)].shape == layer_dims[l], layer_dims[l-1])
        assert(parameters['W' + str(l)].shape == layer_dims[l], 1)

    return parameters


def forward_propagation(X, parameters):
    """
    Implements the forward propagation (and computes the loss) presented in Figure 2.

    Arguments:
    X -- input dataset, of shape (input size, number of examples)
    parameters -- python dictionary containing your parameters "W1", "b1", "W2", "b2", "W3", "b3":
                    W1 -- weight matrix of shape ()
                    b1 -- bias vector of shape ()
                    W2 -- weight matrix of shape ()
                    b2 -- bias vector of shape ()
                    W3 -- weight matrix of shape ()
                    b3 -- bias vector of shape ()

    Returns:
    loss -- the loss function (vanilla logistic loss)
    """

    # retrieve parameters
    W1 = parameters["W1"]
    b1 = parameters["b1"]
    W2 = parameters["W2"]
    b2 = parameters["b2"]
    W3 = parameters["W3"]
    b3 = parameters["b3"]

    # LINEAR -> RELU -> LINEAR -> RELU -> LINEAR -> SIGMOID
    z1 = np.dot(W1, X) + b1
    a1 = relu(z1)
    z2 = np.dot(W2, a1) + b2
    a2 = relu(z2)
    z3 = np.dot(W3, a2) + b3
    a3 = sigmoid(z3)

    cache = (z1, a1, W1, b1, z2, a2, W2, b2, z3, a3, W3, b3)

    return a3, cache


def backward_propagation(X, Y, cache):
    """
    Implement the backward propagation presented in figure 2.

    Arguments:
    X -- input dataset, of shape (input size, number of examples)
    Y -- true "label" vector (containing 0 if cat, 1 if non-cat)
    cache -- cache output from forward_propagation()

    Returns:
    gradients -- A dictionary with the gradients with respect to each parameter, activation and pre-activation variables
    """
    m = X.shape[1]
    (z1, a1, W1, b1, z2, a2, W2, b2, z3, a3, W3, b3) = cache

    dz3 = 1./m * (a3 - Y)
    dW3 = np.dot(dz3, a2.T)
    db3 = np.sum(dz3, axis=1, keepdims = True)

    da2 = np.dot(W3.T, dz3)
    dz2 = np.multiply(da2, np.int64(a2 > 0))
    dW2 = np.dot(dz2, a1.T)
    db2 = np.sum(dz2, axis=1, keepdims = True)

    da1 = np.dot(W2.T, dz2)
    dz1 = np.multiply(da1, np.int64(a1 > 0))
    dW1 = np.dot(dz1, X.T)
    db1 = np.sum(dz1, axis=1, keepdims = True)

    gradients = {
  "dz3": dz3, "dW3": dW3, "db3": db3,
                 "da2": da2, "dz2": dz2, "dW2": dW2, "db2": db2,
                 "da1": da1, "dz1": dz1, "dW1": dW1, "db1": db1}

    return gradients


def compute_cost(a3, Y):

    """
    Implement the cost function

    Arguments:
    a3 -- post-activation, output of forward propagation
    Y -- "true" labels vector, same shape as a3

    Returns:
    cost - value of the cost function
    """
    m = Y.shape[1]

    logprobs = np.multiply(-np.log(a3),Y) + np.multiply(-np.log(1 - a3), 1 - Y)
    cost = 1./m * np.sum(logprobs)

    return cost


def predict(X, y, parameters):
    """
    This function is used to predict the results of a  n-layer neural network.

    Arguments:
    X -- data set of examples you would like to label
    parameters -- parameters of the trained model

    Returns:
    p -- predictions for the given dataset X
    """

    m = X.shape[1]
    p = np.zeros((1,m), dtype = np.int)

    # Forward propagation
    a3, caches = forward_propagation(X, parameters)

    # convert probas to 0/1 predictions
    for i in range(0, a3.shape[1]):
        if a3[0,i] > 0.5:
            p[0,i] = 1
        else:
            p[0,i] = 0

    # print results

    #print ("predictions: " + str(p[0,:]))
    #print ("true labels: " + str(y[0,:]))
    print("Accuracy: "  + str(np.mean((p[0,:] == y[0,:]))))

    return p


def predict_dec(parameters, X):
    """
    Used for plotting decision boundary.

    Arguments:
    parameters -- python dictionary containing your parameters 
    X -- input data of size (m, K)

    Returns
    predictions -- vector of predictions of our model (red: 0 / blue: 1)
    """

    # Predict using forward propagation and a classification threshold of 0.5
    a3, cache = forward_propagation(X, parameters)
    predictions = (a3 > 0.5)
    return predictions


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)
    plt.show()


def load_dataset():
    np.random.seed(3)
    train_X, train_Y = sklearn.datasets.make_moons(n_samples=300, noise=.2) #300 #0.2 
    # Visualize the data
    plt.scatter(train_X[:, 0], train_X[:, 1], c=train_Y, s=40, cmap=plt.cm.Spectral);
    train_X = train_X.T
    train_Y = train_Y.reshape((1, train_Y.shape[0]))

    return train_X, train_Y

1 - Gradient Descent

A simple optimization method in machine learning is gradient descent (GD). When you take gradient steps with respect to all $m$ examples on each step, it is also called Batch Gradient Descent.

Warm-up exercise: Implement the gradient descent update rule. The gradient descent rule is, for $l = 1, ..., L$:

$$W^{[l]} = W^{[l]} - \alpha \text{ } dW^{[l]} \tag{1}$$
$$b^{[l]} = b^{[l]} - \alpha \text{ } db^{[l]} \tag{2}$$

where L is the number of layers and $\alpha$ is the learning rate. All parameters should be stored in the parameters dictionary. Note that the iterator l starts at 0 in the for loop while the first parameters are $W^{[1]}$ and $b^{[1]}$. You need to shift l to l+1 when coding.

# GRADED FUNCTION: update_parameters_with_gd

def update_parameters_with_gd(parameters, grads, learning_rate):
    """
    Update parameters using one step of gradient descent

    Arguments:
    parameters -- python dictionary containing your parameters to be updated:
                    parameters['W' + str(l)] = Wl
                    parameters['b' + str(l)] = bl
    grads -- python dictionary containing your gradients to update each parameters:
                    grads['dW' + str(l)] = dWl
                    grads['db' + str(l)] = dbl
    learning_rate -- the learning rate, scalar.

    Returns:
    parameters -- python dictionary containing your updated parameters 
    """

    L = len(parameters) // 2 # number of layers in the neural networks

    # Update rule for each parameter
    for l in range(L):
        ### START CODE HERE ### (approx. 2 lines)
        parameters["W" + str(l+1)] = parameters["W" + str(l+1)] - learning_rate*grads["dW" + str(l+1)]
        parameters["b" + str(l+1)] = parameters["b" + str(l+1)] - learning_rate*grads["db" + str(l+1)]
        ### END CODE HERE ###

    return parameters

parameters, grads, learning_rate = update_parameters_with_gd_test_case()

parameters = update_parameters_with_gd(parameters, grads, learning_rate)
print("W1 = " + str(parameters["W1"]))
print("b1 = " + str(parameters["b1"]))
print("W2 = " + str(parameters["W2"]))
print("b2 = " + str(parameters["b2"]))

W1 = [[ 1.63535156 -0.62320365 -0.53718766]
 [-1.07799357  0.85639907 -2.29470142]]
b1 = [[ 1.74604067]
 [-0.75184921]]
W2 = [[ 0.32171798 -0.25467393  1.46902454]
 [-2.05617317 -0.31554548 -0.3756023 ]
 [ 1.1404819  -1.09976462 -0.1612551 ]]
b2 = [[-0.88020257]
 [ 0.02561572]
 [ 0.57539477]]

A variant of this is Stochastic Gradient Descent (SGD), which is equivalent to mini-batch gradient descent where each mini-batch has just 1 example. The update rule that you have just implemented does not change. What changes is that you would be computing gradients on just one training example at a time, rather than on the whole training set. The code examples below illustrate the difference between stochastic gradient descent and (batch) gradient descent.

• (Batch) Gradient Descent:

X = data_input
Y = labels
parameters = initialize_parameters(layers_dims)
for i in range(0, num_iterations):
    # Forward propagation
    a, caches = forward_propagation(X, parameters)
    # Compute cost.
    cost = compute_cost(a, Y)
    # Backward propagation.
    grads = backward_propagation(a, caches, parameters)
    # Update parameters.
    parameters = update_parameters(parameters, grads)

• Stochastic Gradient Descent:

X = data_input
Y = labels
parameters = initialize_parameters(layers_dims)
for i in range(0, num_iterations):
    for j in range(0, m):
        # Forward propagation
        a, caches = forward_propagation(X[:,j], parameters)
        # Compute cost
        cost = compute_cost(a, Y[:,j])
        # Backward propagation
        grads = backward_propagation(a, caches, parameters)
        # Update parameters.
        parameters = update_parameters(parameters, grads)

In Stochastic Gradient Descent, you use only 1 training example before updating the gradients. When the training set is large, SGD can be faster. But the parameters will “oscillate” toward the minimum rather than converge smoothly. Here is an illustration of this:

Figure 1 : SGD vs GD
“+” denotes a minimum of the cost. SGD leads to many oscillations to reach convergence. But each step is a lot faster to compute for SGD than for GD, as it uses only one training example (vs. the whole batch for GD).

Note also that implementing SGD requires 3 for-loops in total:
1. Over the number of iterations
2. Over the $m$ training examples
3. Over the layers (to update all parameters, from $(W^{[1]},b^{[1]})$ to $(W^{[L]},b^{[L]})$)

In practice, you’ll often get faster results if you do not use neither the whole training set, nor only one training example, to perform each update. Mini-batch gradient descent uses an intermediate number of examples for each step. With mini-batch gradient descent, you loop over the mini-batches instead of looping over individual training examples.

Figure 2 : SGD vs Mini-Batch GD
“+” denotes a minimum of the cost. Using mini-batches in your optimization algorithm often leads to faster optimization.

What you should remember:
- The difference between gradient descent, mini-batch gradient descent and stochastic gradient descent is the number of examples you use to perform one update step.
- You have to tune a learning rate hyperparameter $\alpha$.
- With a well-turned mini-batch size, usually it outperforms either gradient descent or stochastic gradient descent (particularly when the training set is large).

2 - Mini-Batch Gradient descent

Let’s learn how to build mini-batches from the training set (X, Y).

There are two steps:
- Shuffle: Create a shuffled version of the training set (X, Y) as shown below. Each column of X and Y represents a training example. Note that the random shuffling is done synchronously between X and Y. Such that after the shuffling the $i^{th}$ column of X is the example corresponding to the $i^{th}$ label in Y. The shuffling step ensures that examples will be split randomly into different mini-batches.

• Partition: Partition the shuffled (X, Y) into mini-batches of size mini_batch_size (here 64). Note that the number of training examples is not always divisible by mini_batch_size. The last mini batch might be smaller, but you don’t need to worry about this. When the final mini-batch is smaller than the full mini_batch_size, it will look like this:

Exercise: Implement random_mini_batches. We coded the shuffling part for you. To help you with the partitioning step, we give you the following code that selects the indexes for the $1^{st}$ and 2nd