Deep Learning from first principles in Python, R and Octave – Part 6


“Today you are You, that is truer than true. There is no one alive who is Youer than You.”
Dr. Seuss

“Explanations exist; they have existed for all time; there is always a well-known solution to every human problem — neat, plausible, and wrong.”
H L Mencken

Introduction

In this 6th instalment of ‘Deep Learning from first principles in Python, R and Octave-Part6’, I look at a couple of different initialization techniques used in Deep Learning, L2 regularization and the ‘dropout’ method. Specifically, I implement “He initialization” & “Xavier Initialization”. My earlier posts in this series of Deep Learning included

1. Part 1 – In the 1st part, I implemented logistic regression as a simple 2 layer Neural Network
2. Part 2 – In part 2, implemented the most basic of Neural Networks, with just 1 hidden layer, and any number of activation units in that hidden layer. The implementation was in vectorized Python, R and Octave
3. Part 3 -In part 3, I derive the equations and also implement a L-Layer Deep Learning network with either the relu, tanh or sigmoid activation function in Python, R and Octave. The output activation unit was a sigmoid function for logistic classification
4. Part 4 – This part looks at multi-class classification, and I derive the Jacobian of a Softmax function and implement a simple problem to perform multi-class classification.
5. Part 5 – In the 5th part, I extend the L-Layer Deep Learning network implemented in Part 3, to include the Softmax classification. I also use this L-layer implementation to classify MNIST handwritten digits with Python, R and Octave.

The code in Python, R and Octave are identical, and just take into account some of the minor idiosyncrasies of the individual language. In this post, I implement different initialization techniques (random, He, Xavier), L2 regularization and finally dropout. Hence my generic L-Layer Deep Learning network includes these additional enhancements for enabling/disabling initialization methods, regularization or dropout in the algorithm. It already included sigmoid & softmax output activation for binary and multi-class classification, besides allowing relu, tanh and sigmoid activation for hidden units.

This R Markdown file and the code for Python, R and Octave can be cloned/downloaded from Github at DeepLearning-Part6

1. Initialization techniques

The usual initialization technique is to generate Gaussian or uniform random numbers and multiply it by a small value like 0.01. Two techniques which are used to speed up convergence is the He initialization or Xavier. These initialization techniques enable gradient descent to converge faster.

1.1 a Default initialization – Python

This technique just initializes the weights to small random values based on Gaussian or uniform distribution

import numpy as np
import matplotlib
import matplotlib.pyplot as plt
import sklearn.linear_model
import pandas as pd
import sklearn
import sklearn.datasets
exec(open("DLfunctions61.py").read())
#Load the data
train_X, train_Y, test_X, test_Y = load_dataset()
# Set the layers dimensions
layersDimensions = [2,7,1]

# Train a deep learning network with random initialization
parameters = L_Layer_DeepModel(train_X, train_Y, layersDimensions, hiddenActivationFunc='relu', outputActivationFunc="sigmoid",learningRate = 0.6, num_iterations = 9000, initType="default", print_cost = True,figure="fig1.png")

# Clear the plot
plt.clf()
plt.close()

# Plot the decision boundary
plot_decision_boundary(lambda x: predict(parameters, x.T), train_X, train_Y,str(0.6),figure1="fig2.png")

1.1 b He initialization – Python

‘He’ initialization attributed to He et al, multiplies the random weights by
\sqrt{\frac{2}{dimension\ of\ previous\ layer}}

import numpy as np
import matplotlib
import matplotlib.pyplot as plt
import sklearn.linear_model
import pandas as pd
import sklearn
import sklearn.datasets
exec(open("DLfunctions61.py").read())

#Load the data
train_X, train_Y, test_X, test_Y = load_dataset()
# Set the layers dimensions
layersDimensions = [2,7,1]

# Train a deep learning network with He  initialization
parameters = L_Layer_DeepModel(train_X, train_Y, layersDimensions, hiddenActivationFunc='relu', outputActivationFunc="sigmoid", learningRate =0.6,    num_iterations = 10000,initType="He",print_cost = True,                           figure="fig3.png")

plt.clf()
plt.close()
# Plot the decision boundary
plot_decision_boundary(lambda x: predict(parameters, x.T), train_X, train_Y,str(0.6),figure1="fig4.png")


1.1 c Xavier initialization – Python

Xavier  initialization multiply the random weights by
\sqrt{\frac{1}{dimension\ of\ previous\ layer}}

import numpy as np
import matplotlib
import matplotlib.pyplot as plt
import sklearn.linear_model
import pandas as pd
import sklearn
import sklearn.datasets
exec(open("DLfunctions61.py").read())

#Load the data
train_X, train_Y, test_X, test_Y = load_dataset()
# Set the layers dimensions
layersDimensions = [2,7,1]
 
# Train a L layer Deep Learning network
parameters = L_Layer_DeepModel(train_X, train_Y, layersDimensions, hiddenActivationFunc='relu', outputActivationFunc="sigmoid",
                            learningRate = 0.6,num_iterations = 10000, initType="Xavier",print_cost = True,
                            figure="fig5.png")

# Plot the decision boundary
plot_decision_boundary(lambda x: predict(parameters, x.T), train_X, train_Y,str(0.6),figure1="fig6.png")


1.2a Default initialization – R

source("DLfunctions61.R")
#Load the data
z <- as.matrix(read.csv("circles.csv",header=FALSE)) 
x <- z[,1:2]
y <- z[,3]
X <- t(x)
Y <- t(y)
#Set the layer dimensions
layersDimensions = c(2,11,1)
# Train a deep learning network
retvals = L_Layer_DeepModel(X, Y, layersDimensions,
                            hiddenActivationFunc='relu',
                            outputActivationFunc="sigmoid",
                            learningRate = 0.5,
                            numIterations = 9000, 
                            initType="default",
                            print_cost = True)
#Plot the cost vs iterations
iterations <- seq(0,9000,1000)
costs=retvals$costs
df=data.frame(iterations,costs)
ggplot(df,aes(x=iterations,y=costs)) + geom_point() + geom_line(color="blue") +
 ggtitle("Costs vs iterations") + xlab("No of iterations") + ylab("Cost")

# Plot the decision boundary
plotDecisionBoundary(z,retvals,hiddenActivationFunc="relu",lr=0.5)

1.2b He initialization – R

source("DLfunctions61.R")
# Load the data
z <- as.matrix(read.csv("circles.csv",header=FALSE)) 
x <- z[,1:2]
y <- z[,3]
X <- t(x)
Y <- t(y)
# Set the layer dimensions
layersDimensions = c(2,11,1)
# Train a deep learning network
retvals = L_Layer_DeepModel(X, Y, layersDimensions,
                            hiddenActivationFunc='relu',
                            outputActivationFunc="sigmoid",
                            learningRate = 0.5,
                            numIterations = 9000, 
                            initType="He",
                            print_cost = True)
#Plot the cost vs iterations
iterations <- seq(0,9000,1000)
costs=retvals$costs
df=data.frame(iterations,costs)
ggplot(df,aes(x=iterations,y=costs)) + geom_point() + geom_line(color="blue") +
    ggtitle("Costs vs iterations") + xlab("No of iterations") + ylab("Cost")

# Plot the decision boundary
plotDecisionBoundary(z,retvals,hiddenActivationFunc="relu",0.5,lr=0.5)

1.2c Xavier initialization – R

## Xav initialization 
# Set the layer dimensions
layersDimensions = c(2,11,1)
# Train a deep learning network
retvals = L_Layer_DeepModel(X, Y, layersDimensions,
                            hiddenActivationFunc='relu',
                            outputActivationFunc="sigmoid",
                            learningRate = 0.5,
                            numIterations = 9000, 
                            initType="Xav",
                            print_cost = True)
#Plot the cost vs iterations
iterations <- seq(0,9000,1000)
costs=retvals$costs
df=data.frame(iterations,costs)
ggplot(df,aes(x=iterations,y=costs)) + geom_point() + geom_line(color="blue") +
    ggtitle("Costs vs iterations") + xlab("No of iterations") + ylab("Cost")

# Plot the decision boundary
plotDecisionBoundary(z,retvals,hiddenActivationFunc="relu",0.5)

1.3a Default initialization – Octave

source("DL61functions.m")
# Read the data
data=csvread("circles.csv");

X=data(:,1:2);
Y=data(:,3);
# Set the layer dimensions
layersDimensions = [2 11  1]; #tanh=-0.5(ok), #relu=0.1 best!

# Train a deep learning network
[weights biases costs]=L_Layer_DeepModel(X', Y', layersDimensions,
                               hiddenActivationFunc='relu', 
                               outputActivationFunc="sigmoid",
                               learningRate = 0.5,
                               lambd=0, 
                               keep_prob=1,
                               numIterations = 10000,
                               initType="default");
# Plot cost vs iterations
plotCostVsIterations(10000,costs)  
#Plot decision boundary                            
plotDecisionBoundary(data,weights, biases,keep_prob=1, hiddenActivationFunc="relu")

 

1.3b He initialization – Octave

source("DL61functions.m")
#Load data
data=csvread("circles.csv");
X=data(:,1:2);
Y=data(:,3);
# Set the layer dimensions
layersDimensions = [2 11  1]; #tanh=-0.5(ok), #relu=0.1 best!

# Train a deep learning network
[weights biases costs]=L_Layer_DeepModel(X', Y', layersDimensions,
                               hiddenActivationFunc='relu', 
                               outputActivationFunc="sigmoid",
                               learningRate = 0.5,
                               lambd=0, 
                               keep_prob=1,
                               numIterations = 8000,
                               initType="He");
plotCostVsIterations(8000,costs)   
#Plot decision boundary                              
plotDecisionBoundary(data,weights, biases,keep_prob=1,hiddenActivationFunc="relu")

1.3c Xavier initialization – Octave

source("DL61functions.m")
#Load data
data=csvread("circles.csv");
X=data(:,1:2);
Y=data(:,3);
#Set layer dimensions
layersDimensions = [2 11  1]; #tanh=-0.5(ok), #relu=0.1 best!

# Train a deep learning network
[weights biases costs]=L_Layer_DeepModel(X', Y', layersDimensions,
                               hiddenActivationFunc='relu', 
                               outputActivationFunc="sigmoid",
                               learningRate = 0.5,
                               lambd=0, 
                               keep_prob=1,
                               numIterations = 8000,
                               initType="Xav");

plotCostVsIterations(8000,costs)                               
plotDecisionBoundary(data,weights, biases,keep_prob=1,hiddenActivationFunc="relu")

2.1a Regularization : Circles data – Python

The cross entropy cost for Logistic classification is given as
J = \frac{1}{m}\sum_{i=1}^{m}y^{i}log((a^{L})^{(i)}) - (1-y^{i})log((a^{L})^{(i)})

The regularized L2 cost is given by
J = \frac{1}{m}\sum_{i=1}^{m}y^{i}log((a^{L})^{(i)}) - (1-y^{i})log((a^{L})^{(i)}) + \frac{\lambda}{2m}\sum \sum \sum W_{kj}^{l}

Incidentally, a detailed implementation of L1 and L2 regularization in Machine Learning, besides other feature selection methods can be found in my book ‘Practical Machine Learning with R and Python: Machine Learning in stereo‘ available in Amazon. My book is compact and can be used as a quick reference for ML algorithms and associated metrics

import numpy as np
import matplotlib
import matplotlib.pyplot as plt
import sklearn.linear_model
import pandas as pd
import sklearn
import sklearn.datasets
exec(open("DLfunctions61.py").read())

#Load the data
train_X, train_Y, test_X, test_Y = load_dataset()
# Set the layers dimensions
layersDimensions = [2,7,1]

# Train a deep learning network
parameters = L_Layer_DeepModel(train_X, train_Y, layersDimensions, hiddenActivationFunc='relu',  
                               outputActivationFunc="sigmoid",learningRate = 0.6, lambd=0.1, num_iterations = 9000, 
                               initType="default", print_cost = True,figure="fig7.png")

# Clear the plot
plt.clf()
plt.close()

# Plot the decision boundary
plot_decision_boundary(lambda x: predict(parameters, x.T), train_X, train_Y,str(0.6),figure1="fig8.png")


plt.clf()
plt.close()
#Plot the decision boundary
plot_decision_boundary(lambda x: predict(parameters, x.T,keep_prob=0.9), train_X, train_Y,str(2.2),"fig8.png",)

2.1 b Regularization: Spiral data  – Python

import numpy as np
import matplotlib
import matplotlib.pyplot as plt
import sklearn.linear_model
import pandas as pd
import sklearn
import sklearn.datasets
exec(open("DLfunctions61.py").read())
N = 100 # number of points per class
D = 2 # dimensionality
K = 3 # number of classes
X = np.zeros((N*K,D)) # data matrix (each row = single example)
y = np.zeros(N*K, dtype='uint8') # class labels
for j in range(K):
  ix = range(N*j,N*(j+1))
  r = np.linspace(0.0,1,N) # radius
  t = np.linspace(j*4,(j+1)*4,N) + np.random.randn(N)*0.2 # theta
  X[ix] = np.c_[r*np.sin(t), r*np.cos(t)]
  y[ix] = j


# Plot the data
plt.scatter(X[:, 0], X[:, 1], c=y, s=40, cmap=plt.cm.Spectral)
plt.clf()
plt.close() 
#Set layer dimensions 
layersDimensions = [2,100,3]
y1=y.reshape(-1,1).T
# Train a deep learning network
parameters = L_Layer_DeepModel(X.T, y1, layersDimensions, hiddenActivationFunc='relu', outputActivationFunc="softmax",
                           learningRate = 0.6,lambd=0.2, num_iterations = 5000, print_cost = True,figure="fig9.png")

plt.clf()
plt.close()  
W1=parameters['W1']
b1=parameters['b1']
W2=parameters['W2']
b2=parameters['b2']
plot_decision_boundary1(X, y1,W1,b1,W2,b2,figure2="fig10.png")

2.2a Regularization: Circles data  – R

source("DLfunctions61.R")
#Load data
df=read.csv("circles.csv",header=FALSE)
z <- as.matrix(read.csv("circles.csv",header=FALSE)) 
x <- z[,1:2]
y <- z[,3]
X <- t(x)
Y <- t(y)
#Set layer dimensions
layersDimensions = c(2,11,1)
# Train a deep learning network
retvals = L_Layer_DeepModel(X, Y, layersDimensions,
                            hiddenActivationFunc='relu',
                            outputActivationFunc="sigmoid",
                            learningRate = 0.5,
                            lambd=0.1,
                            numIterations = 9000, 
                            initType="default",
                            print_cost = True)
#Plot the cost vs iterations
iterations <- seq(0,9000,1000)
costs=retvals$costs
df=data.frame(iterations,costs)
ggplot(df,aes(x=iterations,y=costs)) + geom_point() + geom_line(color="blue") +
    ggtitle("Costs vs iterations") + xlab("No of iterations") + ylab("Cost")

# Plot the decision boundary
plotDecisionBoundary(z,retvals,hiddenActivationFunc="relu",0.5)

2.2b Regularization:Spiral data – R

# Read the spiral dataset
#Load the data
source("DLfunctions61.R")
Z <- as.matrix(read.csv("spiral.csv",header=FALSE)) 

# Setup the data
X <- Z[,1:2]
y <- Z[,3]
X <- t(X)
Y <- t(y)

layersDimensions = c(2, 15, 6, 3) 
# Train a deep learning network
retvals = L_Layer_DeepModel(X, Y, layersDimensions,
                            hiddenActivationFunc='relu',
                            outputActivationFunc="softmax",
                            learningRate = 5.1,
                            lambd=0.01,
                            numIterations = 9000, 
                            print_cost = True)
parameters<-retvals$parameters
plotDecisionBoundary1(Z,parameters)


2.3a Regularization: Circles data – Octave

source("DL61functions.m")
#Load data
data=csvread("circles.csv");
X=data(:,1:2);
Y=data(:,3);
layersDimensions = [2 11  1]; #tanh=-0.5(ok), #relu=0.1 best!

# Train a deep learning network
[weights biases costs]=L_Layer_DeepModel(X', Y', layersDimensions,
                               hiddenActivationFunc='relu', 
                               outputActivationFunc="sigmoid",
                               learningRate = 0.5,
                               lambd=0.2,
                               keep_prob=1,
                               numIterations = 8000,
                               initType="default");

plotCostVsIterations(8000,costs)  
#Plot decision boundary                              
plotDecisionBoundary(data,weights, biases,keep_prob=1,hiddenActivationFunc="relu")

2.3b Regularization:Spiral data  2 – Octave

source("DL61functions.m")
data=csvread("spiral.csv");

# Setup the data
X=data(:,1:2);
Y=data(:,3);
layersDimensions = [2 100 3]
# Train a deep learning network
[weights biases costs]=L_Layer_DeepModel(X', Y', layersDimensions,
                               hiddenActivationFunc='relu', 
                               outputActivationFunc="softmax",
                               learningRate = 0.6,
                               lambd=0.2,
                               keep_prob=1,
                               numIterations = 10000);
                              
plotCostVsIterations(10000,costs)
#Plot decision boundary
plotDecisionBoundary1(data,weights, biases,keep_prob=1,hiddenActivationFunc="relu")  

3.1 a Dropout: Circles data – Python

The ‘dropout’ regularization technique was used with great effectiveness, to prevent overfitting  by Alex Krizhevsky, Ilya Sutskever and Prof Geoffrey E. Hinton in the Imagenet classification with Deep Convolutional Neural Networks

The technique of dropout works by dropping a random set of activation units in each hidden layer, based on a ‘keep_prob’ criteria in the forward propagation cycle. Here is the code for Octave. A ‘dropoutMat’ is created for each layer which specifies which units to drop Note: The same ‘dropoutMat has to be used which computing the gradients in the backward propagation cycle. Hence the dropout matrices are stored in a cell array.

 for l =1:L-1  
    ...      
    D=rand(size(A)(1),size(A)(2));
    D = (D < keep_prob) ;
    # Zero out some hidden units
    A= A .* D;    
    # Divide by keep_prob to keep the expected value of A the same                                  
    A = A ./ keep_prob; 
    # Store D in a dropoutMat cell array
    dropoutMat{l}=D;
    ...
 endfor

In the backward propagation cycle we have

    for l =(L-1):-1:1
          ...
          D = dropoutMat{l};  
          # Zero out the dAl based on same dropout matrix       
          dAl= dAl .* D;   
          # Divide by keep_prob to maintain the expected value                                       
          dAl = dAl ./ keep_prob;
          ...
    endfor 
import numpy as np
import matplotlib
import matplotlib.pyplot as plt
import sklearn.linear_model
import pandas as pd
import sklearn
import sklearn.datasets
exec(open("DLfunctions61.py").read())
#Load the data
train_X, train_Y, test_X, test_Y = load_dataset()
# Set the layers dimensions
layersDimensions = [2,7,1]

# Train a deep learning network
parameters = L_Layer_DeepModel(train_X, train_Y, layersDimensions, hiddenActivationFunc='relu',  
                               outputActivationFunc="sigmoid",learningRate = 0.6, keep_prob=0.7, num_iterations = 9000, 
                               initType="default", print_cost = True,figure="fig11.png")

# Clear the plot
plt.clf()
plt.close()

# Plot the decision boundary
plot_decision_boundary(lambda x: predict(parameters, x.T,keep_prob=0.7), train_X, train_Y,str(0.6),figure1="fig12.png")

3.1b Dropout: Spiral data – Python

import numpy as np
import matplotlib
import matplotlib.pyplot as plt
import sklearn.linear_model
import pandas as pd
import sklearn
import sklearn.datasets
exec(open("DLfunctions61.py").read())
# Create an input data set - Taken from CS231n Convolutional Neural networks,
# http://cs231n.github.io/neural-networks-case-study/
               

N = 100 # number of points per class
D = 2 # dimensionality
K = 3 # number of classes
X = np.zeros((N*K,D)) # data matrix (each row = single example)
y = np.zeros(N*K, dtype='uint8') # class labels
for j in range(K):
  ix = range(N*j,N*(j+1))
  r = np.linspace(0.0,1,N) # radius
  t = np.linspace(j*4,(j+1)*4,N) + np.random.randn(N)*0.2 # theta
  X[ix] = np.c_[r*np.sin(t), r*np.cos(t)]
  y[ix] = j


# Plot the data
plt.scatter(X[:, 0], X[:, 1], c=y, s=40, cmap=plt.cm.Spectral)
plt.clf()
plt.close()  
layersDimensions = [2,100,3]
y1=y.reshape(-1,1).T
# Train a deep learning network
parameters = L_Layer_DeepModel(X.T, y1, layersDimensions, hiddenActivationFunc='relu', outputActivationFunc="softmax",
                           learningRate = 0.6,keep_prob=0.5, num_iterations = 5000, print_cost = True,figure="fig13.png")

plt.clf()
plt.close()  
W1=parameters['W1']
b1=parameters['b1']
W2=parameters['W2']
b2=parameters['b2']
#Plot decision boundary
plot_decision_boundary1(X, y1,W1,b1,W2,b2,figure2="fig14.png")

3.2a Dropout: Circles data – R

source("DLfunctions61.R")
#Load data
df=read.csv("circles.csv",header=FALSE)
z <- as.matrix(read.csv("circles.csv",header=FALSE)) 

x <- z[,1:2]
y <- z[,3]
X <- t(x)
Y <- t(y)
layersDimensions = c(2,11,1)
# Train a deep learning network
retvals = L_Layer_DeepModel(X, Y, layersDimensions,
                            hiddenActivationFunc='relu',
                            outputActivationFunc="sigmoid",
                            learningRate = 0.5,
                            keep_prob=0.8,
                            numIterations = 9000, 
                            initType="default",
                            print_cost = True)
# Plot the decision boundary
plotDecisionBoundary(z,retvals,keep_prob=0.6, hiddenActivationFunc="relu",0.5)

3.2b Dropout: Spiral data – R

# Read the spiral dataset
source("DLfunctions61.R")
# Load data
Z <- as.matrix(read.csv("spiral.csv",header=FALSE)) 

# Setup the data
X <- Z[,1:2]
y <- Z[,3]
X <- t(X)
Y <- t(y)

layersDimensions = c(2, 15, 6, 3)
# Train a deep learning network
retvals = L_Layer_DeepModel(X, Y, layersDimensions,
                            hiddenActivationFunc='relu',
                            outputActivationFunc="softmax",
                            learningRate = 5.1,
                            keep_prob=0.9,
                            numIterations = 9000, 
                            print_cost = True)
parameters<-retvals$parameters
#Plot decision boundary
plotDecisionBoundary1(Z,parameters)

3.3a Dropout: Circles data – Octave

data=csvread("circles.csv");

X=data(:,1:2);
Y=data(:,3);
layersDimensions = [2 11  1]; #tanh=-0.5(ok), #relu=0.1 best!

# Train a deep learning network
[weights biases costs]=L_Layer_DeepModel(X', Y', layersDimensions,
                               hiddenActivationFunc='relu', 
                               outputActivationFunc="sigmoid",
                               learningRate = 0.5,
                               lambd=0,
                               keep_prob=0.8,
                               numIterations = 10000,
                               initType="default");
plotCostVsIterations(10000,costs) 
#Plot decision boundary
plotDecisionBoundary1(data,weights, biases,keep_prob=1, hiddenActivationFunc="relu") 

3.3b Dropout  Spiral data – Octave

source("DL61functions.m")
data=csvread("spiral.csv");

# Setup the data
X=data(:,1:2);
Y=data(:,3);

layersDimensions = [numFeats numHidden  numOutput];  
# Train a deep learning network
[weights biases costs]=L_Layer_DeepModel(X', Y', layersDimensions,
                               hiddenActivationFunc='relu', 
                               outputActivationFunc="softmax",
                               learningRate = 0.1,
                               lambd=0,
                               keep_prob=0.8,
                               numIterations = 10000); 

plotCostVsIterations(10000,costs)    
#Plot decision boundary                            
plotDecisionBoundary1(data,weights, biases,keep_prob=1, hiddenActivationFunc="relu")  

Note: The Python, R and Octave code can be cloned/downloaded from Github at DeepLearning-Part6
Conclusion
This post further enhances my earlier L-Layer generic implementation of a Deep Learning network to include options for initialization techniques, L2 regularization or dropout regularization

References
1. Deep Learning Specialization
2. Neural Networks for Machine Learning

Also see
1. Architecting a cloud based IP Multimedia System (IMS)
2. Using Linear Programming (LP) for optimizing bowling change or batting lineup in T20 cricket
3. My book ‘Practical Machine Learning with R and Python’ on Amazon
4. Simulating a Web Joint in Android
5. Inswinger: yorkr swings into International T20s
6. Introducing QCSimulator: A 5-qubit quantum computing simulator in R
7. Computer Vision: Ramblings on derivatives, histograms and contours
8. Bend it like Bluemix, MongoDB using Auto-scale – Part 1!
9. The 3rd paperback & kindle editions of my books on Cricket, now on Amazon

To see all posts click Index of posts

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Deep Learning from first principles in Python, R and Octave – Part 4


In this 4th post of my series on Deep Learning from first principles in Python, R and Octave – Part 4, I explore the details of creating a multi-class classifier using the Softmax activation unit in a neural network. The earlier posts in this series were

1. Deep Learning from first principles in Python, R and Octave – Part 1. In this post I implemented logistic regression as a simple Neural Network in vectorized Python, R and Octave
2. Deep Learning from first principles in Python, R and Octave – Part 2. This 2nd part implemented the most elementary neural network with 1 hidden layer and any number of activation units in the hidden layer with sigmoid activation at the output layer
3. Deep Learning from first principles in Python, R and Octave – Part 3. The 3rd implemented a multi-layer Deep Learning network with an arbitrary number if hidden layers and activation units per hidden layer. The output layer was for binary classification which was based on the sigmoid unit. This multi-layer deep network was implemented in vectorized Python, R and Octave

This 4th part takes a swing at multi-class classification and uses the Softmax as the activation unit in the output layer. Inclusion of the Softmax activation unit in the activation layer requires us to compute the derivative of Softmax, or rather the “Jacobian” of the Softmax function, besides also computing the log loss for this Softmax activation during back propagation. Since the derivation of the Jacobian of a Softmax and the computation of the Cross Entropy/log loss is very involved, I have implemented a basic neural network with just 1 hidden layer with the Softmax activation at the output layer. I also perform multi-class classification based on the ‘spiral’ data set from CS231n Convolutional Neural Networks Stanford course, to test the performance and correctness of the implementations in Python, R and Octave. You can clone download the code for the Python, R and Octave implementations from Github at Deep Learning – Part 4

The Softmax function takes an N dimensional vector as input and generates a N dimensional vector as output.
The Softmax function is given by
S_{j}= \frac{e_{j}}{\sum_{i}^{N}e_{k}}
There is a probabilistic interpretation of the Softmax, since the sum of the Softmax values of a set of vectors will always add up to 1, given that each Softmax value is divided by the total of all values.

As mentioned earlier, the Softmax takes a vector input and returns a vector of outputs.  For e.g. the Softmax of a vector a=[1, 3, 6]  is another vector S=[0.0063,0.0471,0.9464]. Notice that vector output is proportional to the input vector.  Also, taking the derivative of a vector by another vector, is known as the Jacobian. By the way, The Matrix Calculus You Need For Deep Learning by Terence Parr and Jeremy Howard, is very good paper that distills all the main mathematical concepts for Deep Learning in one place.

Let us take a simple 2 layered neural network with just 2 activation units in the hidden layer is shown below

Z_{1}^{1} =W_{11}^{1}x_{1} + W_{21}^{1}x_{2} + b_{1}^{1}
Z_{2}^{1} =W_{12}^{1}x_{1} + W_{22}^{1}x_{2} + b_{2}^{1}
and
A_{1}^{1} = g'(Z_{1}^{1})
A_{2}^{1} = g'(Z_{2}^{1})
where g'() is the activation unit in the hidden layer which can be a relu, sigmoid or a
tanh function

Note: The superscript denotes the layer. The above denotes the equation for layer 1
of the neural network. For layer 2 with the Softmax activation, the equations are
Z_{1}^{2} =W_{11}^{2}x_{1} + W_{21}^{2}x_{2} + b_{1}^{2}
Z_{2}^{2} =W_{12}^{2}x_{1} + W_{22}^{2}x_{2} + b_{2}^{2}
and
A_{1}^{2} = S(A_{1}^{1})
A_{2}^{2} = S(A_{2}^{1})
where S() is the Softmax activation function
S=\begin{pmatrix}  S(Z_{1}^{2})\\ S(Z_{2}^{2})  \end{pmatrix}
S=\begin{pmatrix}  \frac{e^{Z1}}{e^{Z1}+e^{Z2}}\\ \frac{e^{Z2}}{e^{Z1}+e^{Z2}}  \end{pmatrix}

The Jacobian of the softmax ‘S’ is given by
\begin{pmatrix}  \frac {\partial S_{1}}{\partial Z_{1}} & \frac {\partial S_{1}}{\partial Z_{2}}\\  \frac {\partial S_{2}}{\partial Z_{1}} & \frac {\partial S_{2}}{\partial Z_{2}}  \end{pmatrix}
\begin{pmatrix}  \frac{\partial}{\partial Z_{1}} \frac {e^{Z1}}{e^{Z1}+ e^{Z2}} & \frac{\partial}{\partial Z_{2}} \frac {e^{Z1}}{e^{Z1}+ e^{Z2}}\\  \frac{\partial}{\partial Z_{1}} \frac {e^{Z2}}{e^{Z1}+ e^{Z2}} & \frac{\partial}{\partial Z_{2}} \frac {e^{Z2}}{e^{Z1}+ e^{Z2}}  \end{pmatrix}     – (A)

Now the ‘division-rule’  of derivatives is as follows. If u and v are functions of x, then
\frac{d}{dx} \frac {u}{v} =\frac {vdu -udv}{v^{2}}
Using this to compute each element of the above Jacobian matrix, we see that
when i=j we have
\frac {\partial}{\partial Z1}\frac{e^{Z1}}{e^{Z1}+e^{Z2}} =  \frac {\sum e^{Z1} - e^{Z1^{2}}}{\sum ^{2}}
and when i \neq j
\frac {\partial}{\partial Z1}\frac{e^{Z2}}{e^{Z1}+e^{Z2}} =  \frac {0 - e^{z1}e^{Z2}}{\sum ^{2}}
This is of the general form
\frac {\partial S_{j}}{\partial z_{i}} = S_{i}( 1-S_{j})  when i=j
and
\frac {\partial S_{j}}{\partial z_{i}} = -S_{i}S_{j}  when i \neq j
Note: Since the Softmax essentially gives the probability the following
notation is also used
\frac {\partial p_{j}}{\partial z_{i}} = p_{i}( 1-p_{j}) when i=j
and
\frac {\partial p_{j}}{\partial z_{i}} = -p_{i}p_{j} when i \neq j
If you throw the “Kronecker delta” into the equation, then the above equations can be expressed even more concisely as
\frac {\partial p_{j}}{\partial z_{i}} = p_{i} (\delta_{ij} - p_{j})
where \delta_{ij} = 1 when i=j and 0 when i \neq j

This reduces the Jacobian of the simple 2 output softmax vectors  equation (A) as
\begin{pmatrix}  p_{1}(1-p_{1}) & -p_{1}p_{2} \\  -p_{2}p_{1} & p_{2}(1-p_{2})  \end{pmatrix}
The loss of Softmax is given by
L = -\sum y_{i} log(p_{i})
For the 2 valued Softmax output this is
\frac {dL}{dp1} = -\frac {y_{1}}{p_{1}}
\frac {dL}{dp2} = -\frac {y_{2}}{p_{2}}
Using the chain rule we can write
\frac {\partial L}{\partial w_{pq}} = \sum _{i}\frac {\partial L}{\partial p_{i}} \frac {\partial p_{i}}{\partial w_{pq}} (1)
and
\frac {\partial p_{i}}{\partial w_{pq}} = \sum _{k}\frac {\partial p_{i}}{\partial z_{k}} \frac {\partial z_{k}}{\partial w_{pq}} (2)
In expanded form this is
\frac {\partial L}{\partial w_{pq}} = \sum _{i}\frac {\partial L}{\partial p_{i}} \sum _{k}\frac {\partial p_{i}}{\partial z_{k}} \frac {\partial z_{k}}{\partial w_{pq}}
Also
\frac {\partial L}{\partial Z_{i}} =\sum _{i} \frac {\partial L}{\partial p} \frac {\partial p}{\partial Z_{i}}
Therefore
\frac {\partial L}{\partial Z_{1}} =\frac {\partial L}{\partial p_{1}} \frac {\partial p_{1}}{\partial Z_{1}} +\frac {\partial L}{\partial p_{2}} \frac {\partial p_{2}}{\partial Z_{1}}
\frac {\partial L}{\partial z_{1}}=-\frac {y1}{p1} p1(1-p1) - \frac {y2}{p2}*(-p_{2}p_{1})
Since
\frac {\partial p_{j}}{\partial z_{i}} = p_{i}( 1-p_{j}) when i=j
and
\frac {\partial p_{j}}{\partial z_{i}} = -p_{i}p_{j} when i \neq j
which simplifies to
\frac {\partial L}{\partial Z_{1}} = -y_{1} + y_{1}p_{1} + y_{2}p_{1} =
p_{1}\sum (y_{1} + y_2) - y_{1}
\frac {\partial L}{\partial Z_{1}}= p_{1} - y_{1}
Since
\sum_{i} y_{i} =1
Similarly
\frac {\partial L}{\partial Z_{2}} =\frac {\partial L}{\partial p_{1}} \frac {\partial p_{1}}{\partial Z_{2}} +\frac {\partial L}{\partial p_{2}} \frac {\partial p_{2}}{\partial Z_{2}}
\frac {\partial L}{\partial z_{2}}=-\frac {y1}{p1}*(p_{1}p_{2}) - \frac {y2}{p2}*p_{2}(1-p_{2})
y_{1}p_{2} + y_{2}p_{2} - y_{2}
\frac {\partial L}{\partial Z_{2}} =p_{2}\sum (y_{1} + y_2) - y_{2}\\ = p_{2} - y_{2}
In general this is of the form
\frac {\partial L}{\partial z_{i}} = p_{i} -y_{i}
For e.g if the probabilities computed were p=[0.1, 0.7, 0.2] then this implies that the class with probability 0.7 is the likely class. This would imply that the ‘One hot encoding’ for  yi  would be yi=[0,1,0] therefore the gradient pi-yi = [0.1,-0.3,0.2]

<strong>Note: Further, we could extend this derivation for a Softmax activation output that outputs 3 classes
S=\begin{pmatrix}  \frac{e^{z1}}{e^{z1}+e^{z2}+e^{z3}}\\ \frac{e^{z2}}{e^{z1}+e^{z2}+e^{z3}} \\ \frac{e^{z3}}{e^{z1}+e^{z2}+e^{z3}}  \end{pmatrix}

We could derive
\frac {\partial L}{\partial z1}= \frac {\partial L}{\partial p_{1}} \frac {\partial p_{1}}{\partial z_{1}} +\frac {\partial L}{\partial p_{2}} \frac {\partial p_{2}}{\partial z_{1}} +\frac {\partial L}{\partial p_{3}} \frac {\partial p_{3}}{\partial z_{1}} which similarly reduces to
\frac {\partial L}{\partial z_{1}}=-\frac {y1}{p1} p1(1-p1) - \frac {y2}{p2}*(-p_{2}p_{1}) - \frac {y3}{p3}*(-p_{3}p_{1})
-y_{1}+ y_{1}p_{1} + y_{2}p_{1} + y_{3}p1 =  p_{1}\sum (y_{1} + y_2 + y_3) - y_{1}  = p_{1} - y_{1}
Interestingly, despite the lengthy derivations the final result is simple and intuitive!

As seen in my post ‘Deep Learning from first principles with Python, R and Octave – Part 3 the key equations for forward and backward propagation are

Forward propagation equations layer 1
Z_{1} = W_{1}X +b_{1}     and  A_{1} = g(Z_{1})
Forward propagation equations layer 1
Z_{2} = W_{2}A_{1} +b_{2}  and  A_{2} = S(Z_{2})

Backward propagation equations layer 2
\partial L/\partial W_{2} =\partial L/\partial Z_{2} *A_{1}
\partial L/\partial b_{2} =\partial L/\partial Z_{2}
\partial L/\partial A_{1} = \partial L/\partial Z_{2} * W_{2}
Backward propagation equations layer 1
\partial L/\partial W_{1} =\partial L/\partial Z_{1} *A_{0}
\partial L/\partial b_{1} =\partial L/\partial Z_{2}

2.0 Spiral data set

As I mentioned earlier, I will be using the ‘spiral’ data from CS231n Convolutional Neural Networks to ensure that my vectorized implementations in Python, R and Octave are correct. Here is the ‘spiral’ data set.

import numpy as np
import matplotlib.pyplot as plt
import os
os.chdir("C:/junk/dl-4/dl-4")
exec(open("././DLfunctions41.py").read())

# Create an input data set - Taken from CS231n Convolutional Neural networks
# http://cs231n.github.io/neural-networks-case-study/
N = 100 # number of points per class
D = 2 # dimensionality
K = 3 # number of classes
X = np.zeros((N*K,D)) # data matrix (each row = single example)
y = np.zeros(N*K, dtype='uint8') # class labels
for j in range(K):
  ix = range(N*j,N*(j+1))
  r = np.linspace(0.0,1,N) # radius
  t = np.linspace(j*4,(j+1)*4,N) + np.random.randn(N)*0.2 # theta
  X[ix] = np.c_[r*np.sin(t), r*np.cos(t)]
  y[ix] = j
# Plot the data
plt.scatter(X[:, 0], X[:, 1], c=y, s=40, cmap=plt.cm.Spectral)
plt.savefig("fig1.png", bbox_inches='tight')


The implementations of the vectorized Python, R and Octave code are shown diagrammatically below

2.1 Multi-class classification with Softmax – Python code

A simple 2 layer Neural network with a single hidden layer , with 100 Relu activation units in the hidden layer and the Softmax activation unit in the output layer is used for multi-class classification. This Deep Learning Network, plots the non-linear boundary of the 3 classes as shown below

import numpy as np
import matplotlib.pyplot as plt
import os
os.chdir("C:/junk/dl-4/dl-4")
exec(open("././DLfunctions41.py").read())

# Read the input data
N = 100 # number of points per class
D = 2 # dimensionality
K = 3 # number of classes
X = np.zeros((N*K,D)) # data matrix (each row = single example)
y = np.zeros(N*K, dtype='uint8') # class labels
for j in range(K):
  ix = range(N*j,N*(j+1))
  r = np.linspace(0.0,1,N) # radius
  t = np.linspace(j*4,(j+1)*4,N) + np.random.randn(N)*0.2 # theta
  X[ix] = np.c_[r*np.sin(t), r*np.cos(t)]
  y[ix] = j
  
# Set the number of features, hidden units in hidden layer and number of classess
numHidden=100 # No of hidden units in hidden layer
numFeats= 2 # dimensionality
numOutput = 3 # number of classes

# Initialize the model
parameters=initializeModel(numFeats,numHidden,numOutput)
W1= parameters['W1']
b1= parameters['b1']
W2= parameters['W2']
b2= parameters['b2']

# Set the learning rate
learningRate=0.6 

# Initialize losses
losses=[]
# Perform Gradient descent
for i in range(10000):
    # Forward propagation through hidden layer with Relu units
    A1,cache1= layerActivationForward(X.T,W1,b1,'relu')
    
    # Forward propagation through output layer with Softmax
    A2,cache2 = layerActivationForward(A1,W2,b2,'softmax')
    
    # No of training examples
    numTraining = X.shape[0]
    # Compute log probs. Take the log prob of correct class based on output y
    correct_logprobs = -np.log(A2[range(numTraining),y])
    # Conpute loss
    loss = np.sum(correct_logprobs)/numTraining
    
    # Print the loss
    if i % 1000 == 0:
        print("iteration %d: loss %f" % (i, loss))
        losses.append(loss)

    dA=0

    # Backward  propagation through output layer with Softmax
    dA1,dW2,db2 = layerActivationBackward(dA, cache2, y, activationFunc='softmax')
    # Backward  propagation through hidden layer with Relu unit
    dA0,dW1,db1 = layerActivationBackward(dA1.T, cache1, y, activationFunc='relu')
    
    #Update paramaters with the learning rate
    W1 += -learningRate * dW1
    b1 += -learningRate * db1
    W2 += -learningRate * dW2.T
    b2 += -learningRate * db2.T

#Plot losses vs iterations  
i=np.arange(0,10000,1000)
plt.plot(i,losses)

plt.xlabel('Iterations')
plt.ylabel('Loss')
plt.title('Losses vs Iterations')
plt.savefig("fig2.png", bbox="tight")

#Compute the multi-class Confusion Matrix
from sklearn.metrics import confusion_matrix
from sklearn.metrics import accuracy_score, precision_score, recall_score, f1_score

# We need to determine the predicted values from the learnt data
# Forward propagation through hidden layer with Relu units
A1,cache1= layerActivationForward(X.T,W1,b1,'relu')
    
# Forward propagation through output layer with Softmax
A2,cache2 = layerActivationForward(A1,W2,b2,'softmax')
#Compute predicted values from weights and biases
yhat=np.argmax(A2, axis=1)

a=confusion_matrix(y.T,yhat.T)
print("Multi-class Confusion Matrix")
print(a)
## iteration 0: loss 1.098507
## iteration 1000: loss 0.214611
## iteration 2000: loss 0.043622
## iteration 3000: loss 0.032525
## iteration 4000: loss 0.025108
## iteration 5000: loss 0.021365
## iteration 6000: loss 0.019046
## iteration 7000: loss 0.017475
## iteration 8000: loss 0.016359
## iteration 9000: loss 0.015703
## Multi-class Confusion Matrix
## [[ 99   1   0]
##  [  0 100   0]
##  [  0   1  99]]

To know more details about Confusion Matrix and other related measures check out my book  My book ‘Practical Machine Learning with R and Python’ on Amazon

2.2 Multi-class classification with Softmax – R code

The spiral data set created with Python was saved, and is used as the input with R code. The R Neural Network seems to perform much,much slower than both Python and Octave. Not sure why! Incidentally the computation of loss and the softmax derivative are identical for both R and Octave. yet R is much slower. To compute the softmax derivative I create matrices for the One Hot Encoded yi and then stack them before subtracting pi-yi. I am sure there is a more elegant and more efficient way to do this, much like Python. Any suggestions?

library(ggplot2)
library(dplyr)
library(RColorBrewer)
source("DLfunctions41.R")
# Read the spiral dataset
Z <- as.matrix(read.csv("spiral.csv",header=FALSE)) 
Z1=data.frame(Z)
#Plot the dataset
ggplot(Z1,aes(x=V1,y=V2,col=V3)) +geom_point() + 
  scale_colour_gradientn(colours = brewer.pal(10, "Spectral"))

# Setup the data
X <- Z[,1:2]
y <- Z[,3]
X1 <- t(X)
Y1 <- t(y)

# Initialize number of features, number of hidden units in hidden layer and
# number of classes
numFeats<-2 # No features
numHidden<-100 # No of hidden units
numOutput<-3 # No of classes

# Initialize model
parameters <-initializeModel(numFeats, numHidden,numOutput)

W1 <-parameters[['W1']]
b1 <-parameters[['b1']]
W2 <-parameters[['W2']]
b2 <-parameters[['b2']]

# Set the learning rate
learningRate <- 0.5
# Initialize losses
losses <- NULL
# Perform gradient descent
for(i in 0:9000){

# Forward propagation through hidden layer with Relu units
retvals <- layerActivationForward(X1,W1,b1,'relu')
A1 <- retvals[['A']]
cache1 <- retvals[['cache']]
forward_cache1 <- cache1[['forward_cache1']]
activation_cache <- cache1[['activation_cache']]

# Forward propagation through output layer with Softmax units
retvals = layerActivationForward(A1,W2,b2,'softmax')
A2 <- retvals[['A']]
cache2 <- retvals[['cache']]
forward_cache2 <- cache2[['forward_cache1']]
activation_cache2 <- cache2[['activation_cache']]

# No oftraining examples
numTraining <- dim(X)[1]
dA <-0

# Select the elements where the y values are 0, 1 or 2 and make a vector
a=c(A2[y==0,1],A2[y==1,2],A2[y==2,3])
# Take log
correct_probs = -log(a)
# Compute loss
loss= sum(correct_probs)/numTraining

if(i %% 1000 == 0){
sprintf("iteration %d: loss %f",i, loss)
print(loss)
}
# Backward propagation through output layer with Softmax units
retvals = layerActivationBackward(dA, cache2, y, activationFunc='softmax')
dA1 = retvals[['dA_prev']]
dW2= retvals[['dW']]
db2= retvals[['db']]
# Backward propagation through hidden layer with Relu units
retvals = layerActivationBackward(t(dA1), cache1, y, activationFunc='relu')
dA0 = retvals[['dA_prev']]
dW1= retvals[['dW']]
db1= retvals[['db']]

# Update parameters
W1 <- W1 - learningRate * dW1
b1 <- b1 - learningRate * db1
W2 <- W2 - learningRate * t(dW2)
b2 <- b2 - learningRate * t(db2)
}
## [1] 1.212487
## [1] 0.5740867
## [1] 0.4048824
## [1] 0.3561941
## [1] 0.2509576
## [1] 0.7351063
## [1] 0.2066114
## [1] 0.2065875
## [1] 0.2151943
## [1] 0.1318807

 

#Create iterations
iterations <- seq(0,10)
#df=data.frame(iterations,losses)
ggplot(df,aes(x=iterations,y=losses)) + geom_point() + geom_line(color="blue") +
    ggtitle("Losses vs iterations") + xlab("Iterations") + ylab("Loss")

plotDecisionBoundary(Z,W1,b1,W2,b2)



Multi-class Confusion Matrix

library(caret)
library(e1071)

# Forward propagation through hidden layer with Relu units
retvals <- layerActivationForward(X1,W1,b1,'relu')
A1 <- retvals[['A']]

# Forward propagation through output layer with Softmax units
retvals = layerActivationForward(A1,W2,b2,'softmax')
A2 <- retvals[['A']]
yhat <- apply(A2, 1,which.max) -1
Confusion Matrix and Statistics
          Reference
Prediction  0  1  2
         0 97  0  1
         1  2 96  4
         2  1  4 95

Overall Statistics                                        
               Accuracy : 0.96            
                 95% CI : (0.9312, 0.9792)
    No Information Rate : 0.3333          
    P-Value [Acc > NIR] : <2e-16          
                                          
                  Kappa : 0.94            
 Mcnemar's Test P-Value : 0.5724          
Statistics by Class:

                     Class: 0 Class: 1 Class: 2
Sensitivity            0.9700   0.9600   0.9500
Specificity            0.9950   0.9700   0.9750
Pos Pred Value         0.9898   0.9412   0.9500
Neg Pred Value         0.9851   0.9798   0.9750
Prevalence             0.3333   0.3333   0.3333
Detection Rate         0.3233   0.3200   0.3167
Detection Prevalence   0.3267   0.3400   0.3333
Balanced Accuracy      0.9825   0.9650   0.9625

My book “Practical Machine Learning with R and Python” includes the implementation for many Machine Learning algorithms and associated metrics. Pick up your copy today!

2.3 Multi-class classification with Softmax – Octave code

A 2 layer Neural network with the Softmax activation unit in the output layer is constructed in Octave. The same spiral data set is used for Octave also

source("DL41functions.m")
# Read the spiral data
data=csvread("spiral.csv");
# Setup the data
X=data(:,1:2);
Y=data(:,3);
# Set the number of features, number of hidden units in hidden layer and number of classes
numFeats=2; #No features
numHidden=100; # No of hidden units
numOutput=3; # No of classes
# Initialize model
[W1 b1 W2 b2] = initializeModel(numFeats,numHidden,numOutput);
# Initialize losses
losses=[]
#Initialize learningRate
learningRate=0.5;
for k =1:10000
# Forward propagation through hidden layer with Relu units
[A1,cache1 activation_cache1]= layerActivationForward(X',W1,b1,activationFunc ='relu');
# Forward propagation through output layer with Softmax units
[A2,cache2 activation_cache2] =
layerActivationForward(A1,W2,b2,activationFunc='softmax');
# No of training examples
numTraining = size(X)(1);
# Select rows where Y=0,1,and 2 and concatenate to a long vector
a=[A2(Y==0,1) ;A2(Y==1,2) ;A2(Y==2,3)];
#Select the correct column for log prob
correct_probs = -log(a);
#Compute log loss
loss= sum(correct_probs)/numTraining;
if(mod(k,1000) == 0)
disp(loss);
losses=[losses loss];
endif
dA=0;
# Backward propagation through output layer with Softmax units
[dA1 dW2 db2] = layerActivationBackward(dA, cache2, activation_cache2,Y,activationFunc='softmax');
# Backward propagation through hidden layer with Relu units
[dA0,dW1,db1] = layerActivationBackward(dA1', cache1, activation_cache1, Y, activationFunc='relu');
#Update parameters
W1 += -learningRate * dW1;
b1 += -learningRate * db1;
W2 += -learningRate * dW2';
b2 += -learningRate * db2';
endfor
# Plot Losses vs Iterations
iterations=0:1000:9000
plotCostVsIterations(iterations,losses)
# Plot the decision boundary
plotDecisionBoundary( X,Y,W1,b1,W2,b2)

The code for the Python, R and Octave implementations can be downloaded from Github at Deep Learning – Part 4

Conclusion

In this post I have implemented a 2 layer Neural Network with the Softmax classifier. In Part 3, I implemented a multi-layer Deep Learning Network. I intend to include the Softmax activation unit into the generalized multi-layer Deep Network along with the other activation units of sigmoid,tanh and relu.

Stick around, I’ll be back!!
Watch this space!

References
1. Deep Learning Specialization
2. Neural Networks for Machine Learning
3. CS231 Convolutional Neural Networks for Visual Recognition
4. Eli Bendersky’s Website – The Softmax function and its derivative
5. Cross Validated – Backpropagation with Softmax / Cross Entropy
6. Stackoverflow – CS231n: How to calculate gradient for Softmax loss function?
7. Math Stack Exchange – Derivative of Softmax
8. The Matrix Calculus for Deep Learning

You may like
1.My book ‘Practical Machine Learning with R and Python’ on Amazon
2. My travels through the realms of Data Science, Machine Learning, Deep Learning and (AI)
3. Deblurring with OpenCV: Weiner filter reloaded
4. A method to crowd source pothole marking on (Indian) roads
5. Rock N’ Roll with Bluemix, Cloudant & NodeExpress
6. Sea shells on the seashore
7. Design Principles of Scalable, Distributed Systems

To see all post click Index of posts

Deep Learning from first principles in Python, R and Octave – Part 3


“Once upon a time, I, Chuang Tzu, dreamt I was a butterfly, fluttering hither and thither, to all intents and purposes a butterfly. I was conscious only of following my fancies as a butterfly, and was unconscious of my individuality as a man. Suddenly, I awoke, and there I lay, myself again. Now I do not know whether I was then a man dreaming I was a butterfly, or whether I am now a butterfly dreaming that I am a man.”
from The Brain: The Story of you – David Eagleman

“Thought is a great big vector of neural activity”
Prof Geoffrey Hinton

Introduction

This is the third part in my series on Deep Learning from first principles in Python, R and Octave. In the first part Deep Learning from first principles in Python, R and Octave-Part 1, I implemented logistic regression as a 2 layer neural network. The 2nd part Deep Learning from first principles in Python, R and Octave-Part 2, dealt with the implementation of 3 layer Neural Networks with 1 hidden layer to perform classification tasks, where the 2 classes cannot be separated by a linear boundary. In this third part, I implement a multi-layer, Deep Learning (DL) network of arbitrary depth (any number of hidden layers) and arbitrary height (any number of activation units in each hidden layer). The implementations of these Deep Learning networks, in all the 3 parts, are based on vectorized versions in Python, R and Octave. The implementation in the 3rd part is for a L-layer Deep Netwwork, but without any regularization, early stopping, momentum or learning rate adaptation techniques. However even the barebones multi-layer DL, is a handful and has enough hyperparameters to fine-tune and adjust.

The implementation of the vectorized L-layer Deep Learning network in Python, R and Octave were both exhausting, and exacting!! Keeping track of the indices, layer number and matrix dimensions required quite bit of focus. While the implementation was demanding, it was also very exciting to get the code to work. The trick was to be able to shift gears between the slight quirkiness between the languages. Here are some of challenges I faced

1. Python and Octave allow multiple return values to be unpacked in a single statement. With R, unpacking multiple return values from a list, requires the list returned, to be unpacked separately. I did see that there is a package gsubfn, which does this.  I hope this feature becomes a base R feature.
2. Python and R allow dissimilar elements to be saved and returned from functions using dictionaries or lists respectively. However there is no real equivalent in Octave. The closest I got to this functionality in Octave, was the ‘cell array’. But the cell array can be accessed only by the index, and not with the key as in a Python dictionary or R list. This makes things just a bit more difficult in Octave.
3. Python and Octave include implicit broadcasting. In R, broadcasting is not implicit, but R has a nifty function, the sweep(), with which we can broadcast either by columns or by rows
4. The closest equivalent of Python’s dictionary, or R’s list, in Octave is the cell array. However I had to manage separate cell arrays for weights and biases and during gradient descent and separate gradients dW and dB
5. In Python the rank-1 numpy arrays can be annoying at times. This issue is not present in R and Octave.

Though the number of lines of code for Deep Learning functions in Python, R and Octave are about ~350 apiece, they have been some of the most difficult code I have implemented. The current vectorized implementation supports the relu, sigmoid and tanh activation functions as of now. I will be adding other activation functions like the ‘leaky relu’, ‘softmax’ and others, to the implementation in the weeks to come.

While testing with different hyper-parameters namely i) the number of hidden layers, ii) the number of activation units in each layer, iii) the activation function and iv) the number iterations, I found the L-layer Deep Learning Network to be very sensitive to these hyper-parameters. It is not easy to tune the parameters. Adding more hidden layers, or more units per layer, does not help and mostly results in gradient descent getting stuck in some local minima. It does take a fair amount of trial and error and very close observation on how the DL network performs for logical changes. We then can zero in on the most the optimal solution. Feel free to download/fork my code from Github DeepLearning-Part 3 and play around with the hyper-parameters for your own problems.

Derivation of a Multi Layer Deep Learning Network

Lets take a simple 3 layer Neural network with 3 hidden layers and an output layer

In the forward propagation cycle the equations are

Z_{1} = W_{1}A_{0} +b_{1}  and  A_{1} = g(Z_{1})
Z_{2} = W_{2}A_{1} +b_{2}  and  A_{2} = g(Z_{2})
Z_{3} = W_{3}A_{2} +b_{3}  and A_{3} = g(Z_{3})

The loss function is given by
L = -(ylogA3 + (1-y)log(1-A3))
and dL/dA3 = -(Y/A_{3} + (1-Y)/(1-A_{3}))

For a binary classification the output activation function is the sigmoid function given by
A_{3} = 1/(1+ e^{-Z3}). It can be shown that
dA_{3}/dZ_{3} = A_{3}(1-A_3) see equation 2 in Part 1

\partial L/\partial Z_{3} = \partial L/\partial A_{3}* \partial A_{3}/\partial Z_{3} = A3-Y see equation (f) in  Part 1
and since
\partial L/\partial A_{2} = \partial L/\partial Z_{3} * \partial Z_{3}/\partial A_{2} = (A_{3} -Y) * W_{3} because \partial Z_{3}/\partial A_{2} = W_{3} -(1a)
and \partial L/\partial Z_{2} =\partial L/\partial A_{2} * \partial A_{2}/\partial Z_{2} = (A_{3} -Y) * W_{3} *g'(Z_{2}) -(1b)
\partial L/\partial W_{2} = \partial L/\partial Z_{2} * A_{1} -(1c)
since \partial Z_{2}/\partial W_{2} = A_{1}
and
\partial L/\partial b_{2} = \partial L/\partial Z_{2} -(1d)
because
\partial Z_{2}/\partial b_{2} =1

Also

\partial L/\partial A_{1} =\partial L/\partial Z_{2} * \partial Z_{2}/\partial A_{1} = \partial L/\partial Z_{2} * W_{2}     – (2a)
\partial L/\partial Z_{1} =\partial L/\partial A_{1} * \partial A_{1}/\partial Z_{1} = \partial L/\partial A_{1} * W_{3} *g'(Z_{2}) – (2b)
\partial L/\partial W_{1} = \partial L/\partial Z_{1} * A_{0} – (2c)
\partial L/\partial b_{1} = \partial L/\partial Z_{1} – (2d)

Inspecting the above equations (1a – 1d & 2a-2d), our ‘Uber deep, bottomless’ brain  can easily discern the pattern in these equations. The equation for any layer ‘l’ is of the form
Z_{l} = W_{l}A_{l-1} +b_{l}     and  A_{l} = g(Z_{l})
The equation for the backward propagation have the general form
\partial L/\partial A_{l} = \partial L/\partial Z_{l+1} * W^{l+1}
\partial L/\partial Z_{l}=\partial L/\partial A_{l} *g'(Z_{l})
\partial L/\partial W_{l} =\partial L/\partial Z_{l} *A^{l-1}
\partial L/\partial b_{l} =\partial L/\partial Z_{l}

Some other important results The derivatives of the activation functions in the implemented Deep Learning network
g(z) = sigmoid(z) = 1/(1+e^{-z}) = a g’(z) = a(1-a) – See Part 1
g(z) = tanh(z) = a g’(z) = 1 - a^{2}
g(z) = relu(z) = z  when z>0 and 0 when z 0 and 0 when z <= 0
While it appears that there is a discontinuity for the derivative at 0 the small value at the discontinuity does not present a problem

The implementation of the multi layer vectorized Deep Learning Network for Python, R and Octave is included below. For all these implementations, initially I create the size and configuration of the the Deep Learning network with the layer dimennsions So for example layersDimension Vector ‘V’ of length L indicating ‘L’ layers where

V (in Python)= [v_{0}, v_{1}, v_{2}, … v_{L-1}]
V (in R)= c(v_{1}, v_{2}, v_{3} , … v_{L})
V (in Octave)= [ v_{1} v_{2} v_{3}v_{L}]

In all of these implementations the first element is the number of input features to the Deep Learning network and the last element is always a ‘sigmoid’ activation function since all the problems deal with binary classification.

The number of elements between the first and the last element are the number of hidden layers and the magnitude of each v_{i} is the number of activation units in each hidden layer, which is specified while actually executing the Deep Learning network using the function L_Layer_DeepModel(), in all the implementations Python, R and Octave

1a. Classification with Multi layer Deep Learning Network – Relu activation(Python)

In the code below a 4 layer Neural Network is trained to generate a non-linear boundary between the classes. In the code below the ‘Relu’ Activation function is used. The number of activation units in each layer is 9. The cost vs iterations is plotted in addition to the decision boundary. Further the accuracy, precision, recall and F1 score are also computed

import os
import numpy as np
import matplotlib.pyplot as plt
import matplotlib.colors
import sklearn.linear_model

from sklearn.model_selection import train_test_split
from sklearn.datasets import make_classification, make_blobs
from matplotlib.colors import ListedColormap
import sklearn
import sklearn.datasets

#from DLfunctions import plot_decision_boundary
execfile("./DLfunctions34.py") # 
os.chdir("C:\\software\\DeepLearning-Posts\\part3")

# Create clusters of 2 classes
X1, Y1 = make_blobs(n_samples = 400, n_features = 2, centers = 9,
                       cluster_std = 1.3, random_state = 4)
#Create 2 classes
Y1=Y1.reshape(400,1)
Y1 = Y1 % 2
X2=X1.T
Y2=Y1.T
# Set the dimensions of DL Network 
#  Below we have 
#  2 - 2 input features
#  9,9 - 2 hidden layers with 9 activation units per layer and
#  1 - 1 sigmoid activation unit in the output layer as this is a binary classification
# The activation in the hidden layer is the 'relu' specified in L_Layer_DeepModel

layersDimensions = [2, 9, 9,1] #  4-layer model
parameters = L_Layer_DeepModel(X2, Y2, layersDimensions,hiddenActivationFunc='relu', learning_rate = 0.3,num_iterations = 2500, fig="fig1.png")
#Plot the decision boundary
plot_decision_boundary(lambda x: predict(parameters, x.T), X2,Y2,str(0.3),"fig2.png")

# Compute the confusion matrix
yhat = predict(parameters,X2)
from sklearn.metrics import confusion_matrix
a=confusion_matrix(Y2.T,yhat.T)
from sklearn.metrics import accuracy_score, precision_score, recall_score, f1_score
print('Accuracy: {:.2f}'.format(accuracy_score(Y2.T, yhat.T)))
print('Precision: {:.2f}'.format(precision_score(Y2.T, yhat.T)))
print('Recall: {:.2f}'.format(recall_score(Y2.T, yhat.T)))
print('F1: {:.2f}'.format(f1_score(Y2.T, yhat.T)))
## Accuracy: 0.90
## Precision: 0.91
## Recall: 0.87
## F1: 0.89

For more details on metrics like Accuracy, Recall, Precision etc. used in classification take a look at my post Practical Machine Learning with R and Python – Part 2. More details about these and other metrics besides implementation of the most common machine learning algorithms are available in my book My book ‘Practical Machine Learning with R and Python’ on Amazon

1b. Classification with Multi layer Deep Learning Network – Relu activation(R)

In the code below, binary classification is performed on the same data set as above using the Relu activation function. The DL network is same as above

library(ggplot2)
# Read the data
z <- as.matrix(read.csv("data.csv",header=FALSE)) 
x <- z[,1:2]
y <- z[,3]
X1 <- t(x)
Y1 <- t(y)

# Set the dimensions of the Deep Learning network
# No of input features =2, 2 hidden layers with 9 activation units and 1 output layer
layersDimensions = c(2, 9, 9,1)
# Execute the Deep Learning Neural Network
retvals = L_Layer_DeepModel(X1, Y1, layersDimensions,
                               hiddenActivationFunc='relu', 
                               learningRate = 0.3,
                               numIterations = 5000, 
                               print_cost = True)
library(ggplot2)
source("DLfunctions33.R")
# Get the computed costs
costs <- retvals[['costs']]
# Create a sequence of iterations
numIterations=5000
iterations <- seq(0,numIterations,by=1000)
df <-data.frame(iterations,costs)
# Plot the Costs vs number of iterations
ggplot(df,aes(x=iterations,y=costs)) + geom_point() +geom_line(color="blue") +
    xlab('No of iterations') + ylab('Cost') + ggtitle("Cost vs No of iterations")

# Plot the decision boundary
plotDecisionBoundary(z,retvals,hiddenActivationFunc="relu",0.3)

library(caret)
# Predict the output for the data values
yhat <-predict(retvals$parameters,X1,hiddenActivationFunc="relu")
yhat[yhat==FALSE]=0
yhat[yhat==TRUE]=1
# Compute the confusion matrix
confusionMatrix(yhat,Y1)
## Confusion Matrix and Statistics
## 
##           Reference
## Prediction   0   1
##          0 201  10
##          1  21 168
##                                           
##                Accuracy : 0.9225          
##                  95% CI : (0.8918, 0.9467)
##     No Information Rate : 0.555           
##     P-Value [Acc > NIR] : < 2e-16         
##                                           
##                   Kappa : 0.8441          
##  Mcnemar's Test P-Value : 0.07249         
##                                           
##             Sensitivity : 0.9054          
##             Specificity : 0.9438          
##          Pos Pred Value : 0.9526          
##          Neg Pred Value : 0.8889          
##              Prevalence : 0.5550          
##          Detection Rate : 0.5025          
##    Detection Prevalence : 0.5275          
##       Balanced Accuracy : 0.9246          
##                                           
##        'Positive' Class : 0               
## 

1c. Classification with Multi layer Deep Learning Network – Relu activation(Octave)

Included below is the code for performing classification. Incidentally Octave does not seem to have implemented the confusion matrix,  but confusionmat is available in Matlab.
# Read the data
data=csvread("data.csv");
X=data(:,1:2);
Y=data(:,3);
# Set layer dimensions
layersDimensions = [2 9 7 1] #tanh=-0.5(ok), #relu=0.1 best!
# Execute Deep Network
[weights biases costs]=L_Layer_DeepModel(X', Y', layersDimensions,
hiddenActivationFunc='relu',
learningRate = 0.1,
numIterations = 10000);
plotCostVsIterations(10000,costs);
plotDecisionBoundary(data,weights, biases,hiddenActivationFunc="tanh")


2a. Classification with Multi layer Deep Learning Network – Tanh activation(Python)

Below the Tanh activation function is used to perform the same classification. I found the Tanh activation required a simpler Neural Network of 3 layers.

# Tanh activation
import os
import numpy as np
import matplotlib.pyplot as plt
import matplotlib.colors
import sklearn.linear_model

from sklearn.model_selection import train_test_split
from sklearn.datasets import make_classification, make_blobs
from matplotlib.colors import ListedColormap
import sklearn
import sklearn.datasets

#from DLfunctions import plot_decision_boundary
os.chdir("C:\\software\\DeepLearning-Posts\\part3")
execfile("./DLfunctions34.py") 
# Create the dataset
X1, Y1 = make_blobs(n_samples = 400, n_features = 2, centers = 9,
                       cluster_std = 1.3, random_state = 4)
#Create 2 classes
Y1=Y1.reshape(400,1)
Y1 = Y1 % 2
X2=X1.T
Y2=Y1.T
# Set the dimensions of the Neural Network
layersDimensions = [2, 4, 1] #  3-layer model
# Compute the DL network
parameters = L_Layer_DeepModel(X2, Y2, layersDimensions, hiddenActivationFunc='tanh', learning_rate = .5,num_iterations = 2500,fig="fig3.png")
#Plot the decision boundary
plot_decision_boundary(lambda x: predict(parameters, x.T), X2,Y2,str(0.5),"fig4.png")

2b. Classification with Multi layer Deep Learning Network – Tanh activation(R)

R performs better with a Tanh activation than the Relu as can be seen below

 #Set the dimensions of the Neural Network
layersDimensions = c(2, 9, 9,1)
library(ggplot2)
# Read the data
z <- as.matrix(read.csv("data.csv",header=FALSE)) 
x <- z[,1:2]
y <- z[,3]
X1 <- t(x)
Y1 <- t(y)
# Execute the Deep Model
retvals = L_Layer_DeepModel(X1, Y1, layersDimensions,
                            hiddenActivationFunc='tanh', 
                            learningRate = 0.3,
                            numIterations = 5000, 
                            print_cost = True)
# Get the costs
costs <- retvals[['costs']]
iterations <- seq(0,numIterations,by=1000)
df <-data.frame(iterations,costs)
# Plot Cost vs number of iterations
ggplot(df,aes(x=iterations,y=costs)) + geom_point() +geom_line(color="blue") +
    xlab('No of iterations') + ylab('Cost') + ggtitle("Cost vs No of iterations")

#Plot the decision boundary
plotDecisionBoundary(z,retvals,hiddenActivationFunc="tanh",0.3)

2c. Classification with Multi layer Deep Learning Network – Tanh activation(Octave)

The code below uses the   Tanh activation in the hidden layers for Octave
# Read the data
data=csvread("data.csv");
X=data(:,1:2);
Y=data(:,3);
# Set layer dimensions
layersDimensions = [2 9 7 1] #tanh=-0.5(ok), #relu=0.1 best!
# Execute Deep Network
[weights biases costs]=L_Layer_DeepModel(X', Y', layersDimensions,
hiddenActivationFunc='tanh',
learningRate = 0.1,
numIterations = 10000);
plotCostVsIterations(10000,costs);
plotDecisionBoundary(data,weights, biases,hiddenActivationFunc="tanh")


3. Bernoulli’s Lemniscate

To make things  more interesting, I create a 2D figure of the Bernoulli’s lemniscate to perform non-linear classification. The Lemniscate is given by the equation
(x^{2} + y^{2})^{2} = 2a^{2}*(x^{2}-y^{2})

3a. Classifying a lemniscate with Deep Learning Network – Relu activation(Python)

import os
import numpy as np 
import matplotlib.pyplot as plt
os.chdir("C:\\software\\DeepLearning-Posts\\part3")
execfile("./DLfunctions33.py") 
x1=np.random.uniform(0,10,2000).reshape(2000,1)
x2=np.random.uniform(0,10,2000).reshape(2000,1)

X=np.append(x1,x2,axis=1)
X.shape

# Create a subset of values where squared is <0,4. Perform ravel() to flatten this vector
# Create the equation
# (x^{2} + y^{2})^2 - 2a^2*(x^{2}-y^{2}) <= 0
a=np.power(np.power(X[:,0]-5,2) + np.power(X[:,1]-5,2),2)
b=np.power(X[:,0]-5,2) - np.power(X[:,1]-5,2)
c= a - (b*np.power(4,2)) <=0
Y=c.reshape(2000,1)
# Create a scatter plot of the lemniscate
plt.scatter(X[:,0], X[:,1], c=Y, marker= 'o', s=15,cmap="viridis")
Z=np.append(X,Y,axis=1)
plt.savefig("fig50.png",bbox_inches='tight')
plt.clf()

# Set the data for classification
X2=X.T
Y2=Y.T
# These settings work the best
# Set the Deep Learning layer dimensions for a Relu activation
layersDimensions = [2,7,4,1]
#Execute the DL network
parameters = L_Layer_DeepModel(X2, Y2, layersDimensions, hiddenActivationFunc='relu', learning_rate = 0.5,num_iterations = 10000, fig="fig5.png")
#Plot the decision boundary
plot_decision_boundary(lambda x: predict(parameters, x.T), X2, Y2,str(2.2),"fig6.png")

# Compute the Confusion matrix
yhat = predict(parameters,X2)
from sklearn.metrics import confusion_matrix
a=confusion_matrix(Y2.T,yhat.T)
from sklearn.metrics import accuracy_score, precision_score, recall_score, f1_score
print('Accuracy: {:.2f}'.format(accuracy_score(Y2.T, yhat.T)))
print('Precision: {:.2f}'.format(precision_score(Y2.T, yhat.T)))
print('Recall: {:.2f}'.format(recall_score(Y2.T, yhat.T)))
print('F1: {:.2f}'.format(f1_score(Y2.T, yhat.T)))
## Accuracy: 0.93
## Precision: 0.77
## Recall: 0.76
## F1: 0.76

We could get better performance by tuning further. Do play around if you fork the code.
Note:: The lemniscate data is saved as a CSV and then read in R and also in Octave. I do this instead of recreating the lemniscate shape

3b. Classifying a lemniscate with Deep Learning Network – Relu activation(R code)

The R decision boundary for the Bernoulli’s lemniscate is shown below

Z <- as.matrix(read.csv("lemniscate.csv",header=FALSE))
Z1=data.frame(Z)
# Create a scatter plot of the lemniscate
ggplot(Z1,aes(x=V1,y=V2,col=V3)) +geom_point()
#Set the data for the DL network
X=Z[,1:2]
Y=Z[,3]

X1=t(X)
Y1=t(Y)

# Set the layer dimensions for the tanh activation function
layersDimensions = c(2,5,4,1)
# Execute the Deep Learning network with Tanh activation
retvals = L_Layer_DeepModel(X1, Y1, layersDimensions, 
                               hiddenActivationFunc='tanh', 
                               learningRate = 0.3,
                               numIterations = 20000, print_cost = True)
# Plot cost vs iteration
costs <- retvals[['costs']]
numIterations = 20000
iterations <- seq(0,numIterations,by=1000)
df <-data.frame(iterations,costs)
ggplot(df,aes(x=iterations,y=costs)) + geom_point() +geom_line(color="blue") +
    xlab('No of iterations') + ylab('Cost') + ggtitle("Cost vs No of iterations")

#Plot the decision boundary
plotDecisionBoundary(Z,retvals,hiddenActivationFunc="tanh",0.3)

3c. Classifying a lemniscate with Deep Learning Network – Relu activation(Octave code)

Octave is used to generate the non-linear lemniscate boundary.

# Read the data
data=csvread("lemniscate.csv");
X=data(:,1:2);
Y=data(:,3);
# Set the dimensions of the layers
layersDimensions = [2 9 7 1]
# Compute the DL network
[weights biases costs]=L_Layer_DeepModel(X', Y', layersDimensions,
hiddenActivationFunc='relu',
learningRate = 0.20,
numIterations = 10000);
plotCostVsIterations(10000,costs);
plotDecisionBoundary(data,weights, biases,hiddenActivationFunc="relu")


4a. Binary Classification using MNIST – Python code

Finally I perform a simple classification using the MNIST handwritten digits, which according to Prof Geoffrey Hinton is “the Drosophila of Deep Learning”.

The Python code for reading the MNIST data is taken from Alex Kesling’s github link MNIST.

In the Python code below, I perform a simple binary classification between the handwritten digit ‘5’ and ‘not 5’ which is all other digits. I will perform the proper classification of all digits using the  Softmax classifier some time later.

import os
import numpy as np 
import matplotlib.pyplot as plt
os.chdir("C:\\software\\DeepLearning-Posts\\part3")
execfile("./DLfunctions34.py") 
execfile("./load_mnist.py")
training=list(read(dataset='training',path="./mnist"))
test=list(read(dataset='testing',path="./mnist"))
lbls=[]
pxls=[]
print(len(training))

# Select the first 10000 training data and the labels
for i in range(10000):
       l,p=training[i]
       lbls.append(l)
       pxls.append(p)
labels= np.array(lbls)
pixels=np.array(pxls)   

#  Sey y=1  when labels == 5 and 0 otherwise
y=(labels==5).reshape(-1,1)
X=pixels.reshape(pixels.shape[0],-1)

# Create the necessary feature and target variable
X1=X.T
Y1=y.T

# Create the layer dimensions. The number of features are 28 x 28 = 784 since the 28 x 28
# pixels is flattened to single vector of length 784.
layersDimensions=[784, 15,9,7,1] # Works very well
parameters = L_Layer_DeepModel(X1, Y1, layersDimensions, hiddenActivationFunc='relu', learning_rate = 0.1,num_iterations = 1000, fig="fig7.png")

# Test data
lbls1=[]
pxls1=[]
for i in range(800):
       l,p=test[i]
       lbls1.append(l)
       pxls1.append(p)
 
testLabels=np.array(lbls1)
testData=np.array(pxls1)

ytest=(testLabels==5).reshape(-1,1)
Xtest=testData.reshape(testData.shape[0],-1)
Xtest1=Xtest.T
Ytest1=ytest.T

yhat = predict(parameters,Xtest1)
from sklearn.metrics import confusion_matrix
a=confusion_matrix(Ytest1.T,yhat.T)
from sklearn.metrics import accuracy_score, precision_score, recall_score, f1_score
print('Accuracy: {:.2f}'.format(accuracy_score(Ytest1.T, yhat.T)))
print('Precision: {:.2f}'.format(precision_score(Ytest1.T, yhat.T)))
print('Recall: {:.2f}'.format(recall_score(Ytest1.T, yhat.T)))
print('F1: {:.2f}'.format(f1_score(Ytest1.T, yhat.T)))

probs=predict_proba(parameters,Xtest1)
from sklearn.metrics import precision_recall_curve

precision, recall, thresholds = precision_recall_curve(Ytest1.T, probs.T)
closest_zero = np.argmin(np.abs(thresholds))
closest_zero_p = precision[closest_zero]
closest_zero_r = recall[closest_zero]
plt.xlim([0.0, 1.01])
plt.ylim([0.0, 1.01])
plt.plot(precision, recall, label='Precision-Recall Curve')
plt.plot(closest_zero_p, closest_zero_r, 'o', markersize = 12, fillstyle = 'none', c='r', mew=3)
plt.xlabel('Precision', fontsize=16)
plt.ylabel('Recall', fontsize=16)
plt.savefig("fig8.png",bbox_inches='tight')

## Accuracy: 0.99
## Precision: 0.96
## Recall: 0.89
## F1: 0.92

In addition to plotting the Cost vs Iterations, I also plot the Precision-Recall curve to show how the Precision and Recall, which are complementary to each other vary with respect to the other. To know more about Precision-Recall, please check my post Practical Machine Learning with R and Python – Part 4. You could also check out my book My book ‘Practical Machine Learning with R and Python’ on Amazon for details on the key metrics and algorithms for classification and regression problems. A physical copy of the book is much better than scrolling down a webpage. Personally, I tend to use my own book quite frequently to refer to R, Python constructs,  subsetting, machine Learning function calls and the necessary parameters etc. It is useless to commit any of this to memory, and a physical copy of a book is much easier to thumb through for the relevant code snippet. Pick up your copy today!

4b. Binary Classification using MNIST – R code

In the R code below the same binary classification of the digit ‘5’ and the ‘not 5’ is performed. The code to read and display the MNIST data is taken from Brendan O’ Connor’s github link at MNIST

source("mnist.R")
load_mnist()
#show_digit(train$x[2,]
layersDimensions=c(784, 7,7,3,1) # Works at 1500
x <- t(train$x)
# Choose only 5000 training data
x2 <- x[,1:5000]
y <-train$y
# Set labels for all digits that are 'not 5' to 0
y[y!=5] <- 0
# Set labels of digit 5 as 1
y[y==5] <- 1
# Set the data
y1 <- as.matrix(y)
y2 <- t(y1)
# Choose the 1st 5000 data
y3 <- y2[,1:5000]

#Execute the Deep Learning Model
retvals = L_Layer_DeepModel(x2, y3, layersDimensions, 
                               hiddenActivationFunc='tanh', 
                               learningRate = 0.3,
                               numIterations = 3000, print_cost = True)
# Plot cost vs iteration
costs <- retvals[['costs']]
numIterations = 3000
iterations <- seq(0,numIterations,by=1000)
df <-data.frame(iterations,costs)
ggplot(df,aes(x=iterations,y=costs)) + geom_point() +geom_line(color="blue") +
    xlab('No of iterations') + ylab('Cost') + ggtitle("Cost vs No of iterations")

# Compute probability scores
scores <- computeScores(retvals$parameters, x2,hiddenActivationFunc='relu')
a=y3==1
b=y3==0

# Compute probabilities of class 0 and class 1
class1=scores[a]
class0=scores[b]

# Plot ROC curve
pr <-pr.curve(scores.class0=class1,
        scores.class1=class0,
       curve=T)

plot(pr)

The AUC curve hugs the top left corner and hence the performance of the classifier is quite good.

4c. Binary Classification using MNIST – Octave code

This code to load MNIST data was taken from Daniel E blog.
Precision recall curves are available in Matlab but are yet to be implemented in Octave’s statistics package.

load('./mnist/mnist.txt.gz'); % load the dataset
# Subset the 'not 5' digits
a=(trainY != 5);
# Subset '5'
b=(trainY == 5);
#make a copy of trainY
#Set 'not 5' as 0 and '5' as 1
y=trainY;
y(a)=0;
y(b)=1;
X=trainX(1:5000,:);
Y=y(1:5000);
# Set the dimensions of layer
layersDimensions=[784, 7,7,3,1];
# Compute the DL network
[weights biases costs]=L_Layer_DeepModel(X', Y', layersDimensions,
hiddenActivationFunc='relu',
learningRate = 0.1,
numIterations = 5000);

Conclusion

It was quite a challenge coding a Deep Learning Network in Python, R and Octave. The Deep Learning network implementation, in this post,is the base Deep Learning network, without any of the regularization methods included. Here are some key learning that I got while playing with different multi-layer networks on different problems

a. Deep Learning Networks come with many levers, the hyper-parameters,
– learning rate
– activation unit
– number of hidden layers
– number of units per hidden layer
– number of iterations while performing gradient descent
b. Deep Networks are very sensitive. A change in any of the hyper-parameter makes it perform very differently
c. Initially I thought adding more hidden layers, or more units per hidden layer will make the DL network better at learning. On the contrary, there is a performance degradation after the optimal DL configuration
d. At a sub-optimal number of hidden layers or number of hidden units, gradient descent seems to get stuck at a local minima
e. There were occasions when the cost came down, only to increase slowly as the number of iterations were increased. Probably early stopping would have helped.
f. I also did come across situations of ‘exploding/vanishing gradient’, cost went to Inf/-Inf. Here I would think inclusion of ‘momentum method’ would have helped

I intend to add the additional hyper-parameters of L1, L2 regularization, momentum method, early stopping etc. into the code in my future posts.
Feel free to fork/clone the code from Github Deep Learning – Part 3, and take the DL network apart and play around with it.

I will be continuing this series with more hyper-parameters to handle vanishing and exploding gradients, early stopping and regularization in the weeks to come. I also intend to add some more activation functions to this basic Multi-Layer Network.
Hang around, there are more exciting things to come.

Watch this space!

References
1. Deep Learning Specialization
2. Neural Networks for Machine Learning
3. Deep Learning, Ian Goodfellow, Yoshua Bengio and Aaron Courville
4. Neural Networks: The mechanics of backpropagation
5. Machine Learning

Also see
1.My book ‘Practical Machine Learning with R and Python’ on Amazon
2. My travels through the realms of Data Science, Machine Learning, Deep Learning and (AI)
3. Designing a Social Web Portal
4. GooglyPlus: yorkr analyzes IPL players, teams, matches with plots and tables
4. Introducing QCSimulator: A 5-qubit quantum computing simulator in R
6. Presentation on “Intelligent Networks, CAMEL protocol, services & applications
7. Design Principles of Scalable, Distributed Systems

To see all posts see Index of posts

Deep Learning from first principles in Python, R and Octave – Part 2


“What does the world outside your head really ‘look’ like? Not only is there no color, there’s also no sound: the compression and expansion of air is picked up by the ears, and turned into electrical signals. The brain then presents these signals to us as mellifluous tones and swishes and clatters and jangles. Reality is also odorless: there’s no such thing as smell outside our brains. Molecules floating through the air bind to receptors in our nose and are interpreted as different smells by our brain. The real world is not full of rich sensory events; instead, our brains light up the world with their own sensuality.”
The Brain: The Story of You” by David Eagleman

The world is Maya, illusory. The ultimate reality, the Brahman, is all-pervading and all-permeating, which is colourless, odourless, tasteless, nameless and formless
Bhagavad Gita

1. Introduction

This post is a follow-up post to my earlier post Deep Learning from first principles in Python, R and Octave-Part 1. In the first part, I implemented Logistic Regression, in vectorized Python,R and Octave, with a wannabe Neural Network (a Neural Network with no hidden layers). In this second part, I implement a regular, but somewhat primitive Neural Network (a Neural Network with just 1 hidden layer). The 2nd part implements classification of manually created datasets, where the different clusters of the 2 classes are not linearly separable.

Neural Network perform really well in learning all sorts of non-linear boundaries between classes. Initially logistic regression is used perform the classification and the decision boundary is plotted. Vanilla logistic regression performs quite poorly. Using SVMs with a radial basis kernel would have performed much better in creating non-linear boundaries. To see R and Python implementations of SVMs take a look at my post Practical Machine Learning with R and Python – Part 4.

You could also check out my book on Amazon Practical Machine Learning with R and Python – Machine Learning in Stereo,  in which I implement several Machine Learning algorithms on regression and classification, along with other necessary metrics that are used in Machine Learning.

You can clone and fork this R Markdown file along with the vectorized implementations of the 3 layer Neural Network for Python, R and Octave from Github DeepLearning-Part2

2. The 3 layer Neural Network

A simple representation of a 3 layer Neural Network (NN) with 1 hidden layer is shown below.

In the above Neural Network, there are 2 input features at the input layer, 3 hidden units at the hidden layer and 1 output layer as it deals with binary classification. The activation unit at the hidden layer can be a tanh, sigmoid, relu etc. At the output layer the activation is a sigmoid to handle binary classification

# Superscript indicates layer 1
z_{11} = w_{11}^{1}x_{1} + w_{21}^{1}x_{2} + b_{1}
z_{12} = w_{12}^{1}x_{1} + w_{22}^{1}x_{2} + b_{1}
z_{13} = w_{13}^{1}x_{1} + w_{23}^{1}x_{2} + b_{1}

Also a_{11} = tanh(z_{11})
a_{12} = tanh(z_{12})
a_{13} = tanh(z_{13})

# Superscript indicates layer 2
z_{21} = w_{11}^{2}a_{11} + w_{21}^{2}a_{12} + w_{31}^{2}a_{13} + b_{2}
a_{21} = sigmoid(z21)

Hence
Z1= \begin{pmatrix}  z11\\  z12\\  z13  \end{pmatrix} =\begin{pmatrix}  w_{11}^{1} & w_{21}^{1} \\  w_{12}^{1} & w_{22}^{1} \\  w_{13}^{1} & w_{23}^{1}  \end{pmatrix} * \begin{pmatrix}  x1\\  x2  \end{pmatrix} + b_{1}
And
A1= \begin{pmatrix}  a11\\  a12\\  a13  \end{pmatrix} = \begin{pmatrix}  tanh(z11)\\  tanh(z12)\\  tanh(z13)  \end{pmatrix}

Similarly
Z2= z_{21}  = \begin{pmatrix}  w_{11}^{2} & w_{21}^{2} & w_{31}^{2}  \end{pmatrix} *\begin{pmatrix}  z_{11}\\  z_{12}\\  z_{13}  \end{pmatrix} +b_{2}
and A2 = a_{21} = sigmoid(z_{21})

These equations can be written as
Z1 = W1 * X + b1
A1 = tanh(Z1)
Z2 = W2 * A1 + b2
A2 = sigmoid(Z2)

I) Some important results (a memory refresher!)
d/dx(e^{x}) = e^{x} and d/dx(e^{-x}) = -e^{-x} -(a) and
sinhx = (e^{x} - e^{-x})/2 and coshx = (e^{x} + e^{-x})/2
Using (a) we can shown that d/dx(sinhx) = coshx and d/dx(coshx) = sinhx (b)
Now d/dx(f(x)/g(x)) = (g(x)*d/dx(f(x)) - f(x)*d/dx(g(x)))/g(x)^{2} -(c)

Since tanhx =z= sinhx/coshx and using (b) we get
tanhx = (coshx*d/dx(sinhx) - coshx*d/dx(sinhx))/(1-sinhx^{2})
Using the values of the derivatives of sinhx and coshx from (b) above we get
d/dx(tanhx) = (coshx^{2} - sinhx{2})/coshx{2} = 1 - tanhx^{2}
Since tanhx =z
d/dx(tanhx) = 1 - tanhx^{2}= 1 - z^{2} -(d)

II) Derivatives
L=-(Ylog(A2) + (1-Y)log(1-A2))
dL/dA2 = -(Y/A2 + (1-Y)/(1-A2))
Since A2 = sigmoid(Z2) therefore dA2/dZ2 = A2(1-A2) see Part1
Z2 = W2A1 +b2
dZ2/dW2 = A1
dZ2/db2 = 1
A1 = tanh(Z1) and dA1/dZ1 = 1 - A1^{2}
Z1 = W1X + b1
dZ1/dW1 = X
dZ1/db1 = 1

III) Back propagation
Using the derivatives from II) we can derive the following results using Chain Rule
\partial L/\partial Z2 = \partial L/\partial A2 * \partial A2/\partial Z2
= -(Y/A2 + (1-Y)/(1-A2)) * A2(1-A2) = A2 - Y
\partial L/\partial W2 = \partial L/\partial A2 * \partial A2/\partial Z2 * \partial Z2/\partial W2
= (A2-Y) *A1 -(A)
\partial L/\partial b2 = \partial L/\partial A2 * \partial A2/\partial Z2 * \partial Z2/\partial b2 = (A2-Y) -(B)

\partial L/\partial Z1 = \partial L/\partial A2 * \partial A2/\partial Z2 * \partial Z2/\partial A1 *\partial A1/\partial Z1 = (A2-Y) * W2 * (1-A1^{2})
\partial L/\partial W1 = \partial L/\partial A2 * \partial A2/\partial Z2 * \partial Z2/\partial A1 *\partial A1/\partial Z1 *\partial Z1/\partial W1
=(A2-Y) * W2 * (1-A1^{2}) * X -(C)
\partial L/\partial b1 = \partial L/\partial A2 * \partial A2/\partial Z2 * \partial Z2/\partial A1 *dA1/dZ1 *dZ1/db1
= (A2-Y) * W2 * (1-A1^{2}) -(D)

IV) Gradient Descent
The key computations in the backward cycle are
W1 = W1-learningRate * \partial L/\partial W1 – From (C)
b1 = b1-learningRate * \partial L/\partial b1 – From (D)
W2 = W2-learningRate * \partial L/\partial W2 – From (A)
b2 = b2-learningRate * \partial L/\partial b2 – From (B)

The weights and biases (W1,b1,W2,b2) are updated for each iteration thus minimizing the loss/cost.

These derivations can be represented pictorially using the computation graph (from the book Deep Learning by Ian Goodfellow, Joshua Bengio and Aaron Courville)

3. Manually create a data set that is not lineary separable

Initially I create a dataset with 2 classes which has around 9 clusters that cannot be separated by linear boundaries. Note: This data set is saved as data.csv and is used for the R and Octave Neural networks to see how they perform on the same dataset.

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

from sklearn.model_selection import train_test_split
from sklearn.datasets import make_classification, make_blobs
from matplotlib.colors import ListedColormap
import sklearn
import sklearn.datasets


colors=['black','gold']
cmap = matplotlib.colors.ListedColormap(colors)
X, y = make_blobs(n_samples = 400, n_features = 2, centers = 7,
                       cluster_std = 1.3, random_state = 4)
#Create 2 classes
y=y.reshape(400,1)
y = y % 2
#Plot the figure
plt.figure()
plt.title('Non-linearly separable classes')
plt.scatter(X[:,0], X[:,1], c=y,
           marker= 'o', s=50,cmap=cmap)
plt.savefig('fig1.png', bbox_inches='tight')

4. Logistic Regression

On the above created dataset, classification with logistic regression is performed, and the decision boundary is plotted. It can be seen that logistic regression performs quite poorly

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

from sklearn.model_selection import train_test_split
from sklearn.datasets import make_classification, make_blobs
from matplotlib.colors import ListedColormap
import sklearn
import sklearn.datasets

#from DLfunctions import plot_decision_boundary
execfile("./DLfunctions.py") # Since import does not work in Rmd!!!

colors=['black','gold']
cmap = matplotlib.colors.ListedColormap(colors)
X, y = make_blobs(n_samples = 400, n_features = 2, centers = 7,
                       cluster_std = 1.3, random_state = 4)
#Create 2 classes
y=y.reshape(400,1)
y = y % 2

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

# Plot the decision boundary for logistic regression
plot_decision_boundary_n(lambda x: clf.predict(x), X.T, y.T,"fig2.png")

5. The 3 layer Neural Network in Python (vectorized)

The vectorized implementation is included below. Note that in the case of Python a learning rate of 0.5 and 3 hidden units performs very well.

## Random data set with 9 clusters
import numpy as np
import matplotlib
import matplotlib.pyplot as plt
import sklearn.linear_model
import pandas as pd

from sklearn.datasets import make_classification, make_blobs
execfile("./DLfunctions.py") # Since import does not work in Rmd!!!

X1, Y1 = make_blobs(n_samples = 400, n_features = 2, centers = 9,
                       cluster_std = 1.3, random_state = 4)
#Create 2 classes
Y1=Y1.reshape(400,1)
Y1 = Y1 % 2
X2=X1.T
Y2=Y1.T

#Perform gradient descent
parameters,costs = computeNN(X2, Y2, numHidden = 4, learningRate=0.5, numIterations = 10000)
plot_decision_boundary(lambda x: predict(parameters, x.T), X2, Y2,str(4),str(0.5),"fig3.png")
## Cost after iteration 0: 0.692669
## Cost after iteration 1000: 0.246650
## Cost after iteration 2000: 0.227801
## Cost after iteration 3000: 0.226809
## Cost after iteration 4000: 0.226518
## Cost after iteration 5000: 0.226331
## Cost after iteration 6000: 0.226194
## Cost after iteration 7000: 0.226085
## Cost after iteration 8000: 0.225994
## Cost after iteration 9000: 0.225915

 

6. The 3 layer Neural Network in R (vectorized)

For this the dataset created by Python is saved  to see how R performs on the same dataset. The vectorized implementation of a Neural Network was just a little more interesting as R does not have a similar package like ‘numpy’. While numpy handles broadcasting implicitly, in R I had to use the ‘sweep’ command to broadcast. The implementaion is included below. Note that since the initialization with random weights is slightly different, R performs best with a learning rate of 0.1 and with 6 hidden units

source("DLfunctions2_1.R")
z <- as.matrix(read.csv("data.csv",header=FALSE)) # 
x <- z[,1:2]
y <- z[,3]
x1 <- t(x)
y1 <- t(y)
#Perform gradient descent
nn <-computeNN(x1, y1, 6, learningRate=0.1,numIterations=10000) # Good
## [1] 0.7075341
## [1] 0.2606695
## [1] 0.2198039
## [1] 0.2091238
## [1] 0.211146
## [1] 0.2108461
## [1] 0.2105351
## [1] 0.210211
## [1] 0.2099104
## [1] 0.2096437
## [1] 0.209409
plotDecisionBoundary(z,nn,6,0.1)

 

 7.  The 3 layer Neural Network in Octave (vectorized)

This uses the same dataset that was generated using Python code.
source("DL-function2.m")
data=csvread("data.csv");
X=data(:,1:2);
Y=data(:,3);
# Make sure that the model parameters are correct. Take the transpose of X & Y

#Perform gradient descent
[W1,b1,W2,b2,costs]= computeNN(X', Y',4, learningRate=0.5, numIterations = 10000);

8a. Performance  for different learning rates (Python)

import numpy as np
import matplotlib
import matplotlib.pyplot as plt
import sklearn.linear_model
import pandas as pd

from sklearn.datasets import make_classification, make_blobs
execfile("./DLfunctions.py") # Since import does not work in Rmd!!!
# Create data
X1, Y1 = make_blobs(n_samples = 400, n_features = 2, centers = 9,
                       cluster_std = 1.3, random_state = 4)
#Create 2 classes
Y1=Y1.reshape(400,1)
Y1 = Y1 % 2
X2=X1.T
Y2=Y1.T
# Create a list of learning rates
learningRate=[0.5,1.2,3.0]
df=pd.DataFrame()
#Compute costs for each learning rate
for lr in learningRate:
   parameters,costs = computeNN(X2, Y2, numHidden = 4, learningRate=lr, numIterations = 10000)
   print(costs)
   df1=pd.DataFrame(costs)
   df=pd.concat([df,df1],axis=1)
#Set the iterations
iterations=[0,1000,2000,3000,4000,5000,6000,7000,8000,9000]   
#Create data frame
#Set index
df1=df.set_index([iterations])
df1.columns=[0.5,1.2,3.0]
fig=df1.plot()
fig=plt.title("Cost vs No of Iterations for different learning rates")
plt.savefig('fig4.png', bbox_inches='tight')

8b. Performance  for different hidden units (Python)

import numpy as np
import matplotlib
import matplotlib.pyplot as plt
import sklearn.linear_model
import pandas as pd

from sklearn.datasets import make_classification, make_blobs
execfile("./DLfunctions.py") # Since import does not work in Rmd!!!
#Create data set
X1, Y1 = make_blobs(n_samples = 400, n_features = 2, centers = 9,
                       cluster_std = 1.3, random_state = 4)
#Create 2 classes
Y1=Y1.reshape(400,1)
Y1 = Y1 % 2
X2=X1.T
Y2=Y1.T
# Make a list of hidden unis
numHidden=[3,5,7]
df=pd.DataFrame()
#Compute costs for different hidden units
for numHid in numHidden:
   parameters,costs = computeNN(X2, Y2, numHidden = numHid, learningRate=1.2, numIterations = 10000)
   print(costs)
   df1=pd.DataFrame(costs)
   df=pd.concat([df,df1],axis=1)
#Set the iterations
iterations=[0,1000,2000,3000,4000,5000,6000,7000,8000,9000]   
#Set index
df1=df.set_index([iterations])
df1.columns=[3,5,7]
#Plot
fig=df1.plot()
fig=plt.title("Cost vs No of Iterations for different no of hidden units")
plt.savefig('fig5.png', bbox_inches='tight')

9a. Performance  for different learning rates (R)

source("DLfunctions2_1.R")
# Read data
z <- as.matrix(read.csv("data.csv",header=FALSE)) # 
x <- z[,1:2]
y <- z[,3]
x1 <- t(x)
y1 <- t(y)
#Loop through learning rates and compute costs
learningRate <-c(0.1,1.2,3.0)
df <- NULL
for(i in seq_along(learningRate)){
   nn <-  computeNN(x1, y1, 6, learningRate=learningRate[i],numIterations=10000) 
   cost <- nn$costs
   df <- cbind(df,cost)
  
}      

#Create dataframe
df <- data.frame(df) 
iterations=seq(0,10000,by=1000)
df <- cbind(iterations,df)
names(df) <- c("iterations","0.5","1.2","3.0")
library(reshape2)
df1 <- melt(df,id="iterations")  # Melt the data
#Plot  
ggplot(df1) + geom_line(aes(x=iterations,y=value,colour=variable),size=1)  + 
    xlab("Iterations") +
    ylab('Cost') + ggtitle("Cost vs No iterations for  different learning rates")

9b. Performance  for different hidden units (R)

source("DLfunctions2_1.R")
# Loop through Num hidden units
numHidden <-c(4,6,9)
df <- NULL
for(i in seq_along(numHidden)){
    nn <-  computeNN(x1, y1, numHidden[i], learningRate=0.1,numIterations=10000) 
    cost <- nn$costs
    df <- cbind(df,cost)
    
}      
df <- data.frame(df) 
iterations=seq(0,10000,by=1000)
df <- cbind(iterations,df)
names(df) <- c("iterations","4","6","9")
library(reshape2)
# Melt
df1 <- melt(df,id="iterations") 
# Plot   
ggplot(df1) + geom_line(aes(x=iterations,y=value,colour=variable),size=1)  + 
    xlab("Iterations") +
    ylab('Cost') + ggtitle("Cost vs No iterations for  different number of hidden units")

10a. Performance of the Neural Network for different learning rates (Octave)

source("DL-function2.m")
plotLRCostVsIterations()
print -djph figa.jpg

10b. Performance of the Neural Network for different number of hidden units (Octave)

source("DL-function2.m")
plotHiddenCostVsIterations()
print -djph figa.jpg

11. Turning the heat on the Neural Network

In this 2nd part I create a a central region of positives and and the outside region as negatives. The points are generated using the equation of a circle (x – a)^{2} + (y -b) ^{2} = R^{2} . How does the 3 layer Neural Network perform on this?  Here’s a look! Note: The same dataset is also used for R and Octave Neural Network constructions

12. Manually creating a circular central region

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

from sklearn.model_selection import train_test_split
from sklearn.datasets import make_classification, make_blobs
from matplotlib.colors import ListedColormap
import sklearn
import sklearn.datasets

colors=['black','gold']
cmap = matplotlib.colors.ListedColormap(colors)
x1=np.random.uniform(0,10,800).reshape(800,1)
x2=np.random.uniform(0,10,800).reshape(800,1)
X=np.append(x1,x2,axis=1)
X.shape
# Create (x-a)^2 + (y-b)^2 = R^2
# Create a subset of values where squared is <0,4. Perform ravel() to flatten this vector
a=(np.power(X[:,0]-5,2) + np.power(X[:,1]-5,2) <= 6).ravel()
Y=a.reshape(800,1)

cmap = matplotlib.colors.ListedColormap(colors)

plt.figure()
plt.title('Non-linearly separable classes')
plt.scatter(X[:,0], X[:,1], c=Y,
           marker= 'o', s=15,cmap=cmap)
plt.savefig('fig6.png', bbox_inches='tight')

13a. Decision boundary with hidden units=4 and learning rate = 2.2 (Python)

With the above hyper parameters the decision boundary is triangular

import numpy as np
import matplotlib.pyplot as plt
import matplotlib.colors
import sklearn.linear_model
execfile("./DLfunctions.py")
x1=np.random.uniform(0,10,800).reshape(800,1)
x2=np.random.uniform(0,10,800).reshape(800,1)
X=np.append(x1,x2,axis=1)
X.shape

# Create a subset of values where squared is <0,4. Perform ravel() to flatten this vector
a=(np.power(X[:,0]-5,2) + np.power(X[:,1]-5,2) <= 6).ravel()
Y=a.reshape(800,1)

X2=X.T
Y2=Y.T

parameters,costs = computeNN(X2, Y2, numHidden = 4, learningRate=2.2, numIterations = 10000)
plot_decision_boundary(lambda x: predict(parameters, x.T), X2, Y2,str(4),str(2.2),"fig7.png")
## Cost after iteration 0: 0.692836
## Cost after iteration 1000: 0.331052
## Cost after iteration 2000: 0.326428
## Cost after iteration 3000: 0.474887
## Cost after iteration 4000: 0.247989
## Cost after iteration 5000: 0.218009
## Cost after iteration 6000: 0.201034
## Cost after iteration 7000: 0.197030
## Cost after iteration 8000: 0.193507
## Cost after iteration 9000: 0.191949

13b. Decision boundary with hidden units=12 and learning rate = 2.2 (Python)

With the above hyper parameters the decision boundary is triangular

import numpy as np
import matplotlib.pyplot as plt
import matplotlib.colors
import sklearn.linear_model
execfile("./DLfunctions.py")
x1=np.random.uniform(0,10,800).reshape(800,1)
x2=np.random.uniform(0,10,800).reshape(800,1)
X=np.append(x1,x2,axis=1)
X.shape

# Create a subset of values where squared is <0,4. Perform ravel() to flatten this vector
a=(np.power(X[:,0]-5,2) + np.power(X[:,1]-5,2) <= 6).ravel()
Y=a.reshape(800,1)

X2=X.T
Y2=Y.T

parameters,costs = computeNN(X2, Y2, numHidden = 12, learningRate=2.2, numIterations = 10000)
plot_decision_boundary(lambda x: predict(parameters, x.T), X2, Y2,str(12),str(2.2),"fig8.png")
## Cost after iteration 0: 0.693291
## Cost after iteration 1000: 0.383318
## Cost after iteration 2000: 0.298807
## Cost after iteration 3000: 0.251735
## Cost after iteration 4000: 0.177843
## Cost after iteration 5000: 0.130414
## Cost after iteration 6000: 0.152400
## Cost after iteration 7000: 0.065359
## Cost after iteration 8000: 0.050921
## Cost after iteration 9000: 0.039719

14a. Decision boundary with hidden units=9 and learning rate = 0.5 (R)

When the number of hidden units is 6 and the learning rate is 0,1, is also a triangular shape in R

source("DLfunctions2_1.R")
z <- as.matrix(read.csv("data1.csv",header=FALSE)) # N
x <- z[,1:2]
y <- z[,3]
x1 <- t(x)
y1 <- t(y)
nn <-computeNN(x1, y1, 9, learningRate=0.5,numIterations=10000) # Triangular
## [1] 0.8398838
## [1] 0.3303621
## [1] 0.3127731
## [1] 0.3012791
## [1] 0.3305543
## [1] 0.3303964
## [1] 0.2334615
## [1] 0.1920771
## [1] 0.2341225
## [1] 0.2188118
## [1] 0.2082687
plotDecisionBoundary(z,nn,6,0.1)

14b. Decision boundary with hidden units=8 and learning rate = 0.1 (R)

source("DLfunctions2_1.R")
z <- as.matrix(read.csv("data1.csv",header=FALSE)) # N
x <- z[,1:2]
y <- z[,3]
x1 <- t(x)
y1 <- t(y)
nn <-computeNN(x1, y1, 8, learningRate=0.1,numIterations=10000) # Hemisphere
## [1] 0.7273279
## [1] 0.3169335
## [1] 0.2378464
## [1] 0.1688635
## [1] 0.1368466
## [1] 0.120664
## [1] 0.111211
## [1] 0.1043362
## [1] 0.09800573
## [1] 0.09126161
## [1] 0.0840379
plotDecisionBoundary(z,nn,8,0.1)

15a. Decision boundary with hidden units=12 and learning rate = 1.5 (Octave)

source("DL-function2.m")
data=csvread("data1.csv");
X=data(:,1:2);
Y=data(:,3);
# Make sure that the model parameters are correct. Take the transpose of X & Y
[W1,b1,W2,b2,costs]= computeNN(X', Y',12, learningRate=1.5, numIterations = 10000);
plotDecisionBoundary(data, W1,b1,W2,b2)
print -djpg fige.jpg

Conclusion: This post implemented a 3 layer Neural Network to create non-linear boundaries while performing classification. Clearly the Neural Network performs very well when the number of hidden units and learning rate are varied.

To be continued…
Watch this space!!

References
1. Deep Learning Specialization
2. Neural Networks for Machine Learning
3. Deep Learning, Ian Goodfellow, Yoshua Bengio and Aaron Courville
4. Neural Networks: The mechanics of backpropagation
5. Machine Learning

Also see
1. My book ‘Practical Machine Learning with R and Python’ on Amazon
2. GooglyPlus: yorkr analyzes IPL players, teams, matches with plots and tables
3. The 3rd paperback & kindle editions of my books on Cricket, now on Amazon
4. Exploring Quantum Gate operations with QCSimulator
5. Simulating a Web Joint in Android
6. My travels through the realms of Data Science, Machine Learning, Deep Learning and (AI)
7. Presentation on Wireless Technologies – Part 1

To see all posts check Index of posts

Deep Learning from first principles in Python, R and Octave – Part 1


“You don’t perceive objects as they are. You perceive them as you are.”
“Your interpretation of physical objects has everything to do with the historical trajectory of your brain – and little to do with the objects themselves.”
“The brain generates its own reality, even before it receives information coming in from the eyes and the other senses. This is known as the internal model”

                          David Eagleman - The Brain: The Story of You

This is the first in the series of posts, I intend to write on Deep Learning. This post is inspired by the Deep Learning Specialization by Prof Andrew Ng on Coursera and Neural Networks for Machine Learning by Prof Geoffrey Hinton also on Coursera. In this post I implement Logistic regression with a 2 layer Neural Network i.e. a Neural Network that just has an input layer and an output layer and with no hidden layer.I am certain that any self-respecting Deep Learning/Neural Network would consider a Neural Network without hidden layers as no Neural Network at all!

This 2 layer network is implemented in Python, R and Octave languages. I have included Octave, into the mix, as Octave is a close cousin of Matlab. These implementations in Python, R and Octave are equivalent vectorized implementations. So, if you are familiar in any one of the languages, you should be able to look at the corresponding code in the other two. You can download this R Markdown file and Octave code from DeepLearning -Part 1

To start with, Logistic Regression is performed using sklearn’s logistic regression package for the cancer data set also from sklearn. This is shown below

1. Logistic Regression

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.linear_model import LogisticRegression
from sklearn.datasets import make_classification, make_blobs

from sklearn.metrics import confusion_matrix
from matplotlib.colors import ListedColormap
from sklearn.datasets import load_breast_cancer
# Load the cancer data
(X_cancer, y_cancer) = load_breast_cancer(return_X_y = True)
X_train, X_test, y_train, y_test = train_test_split(X_cancer, y_cancer,
                                                   random_state = 0)
# Call the Logisitic Regression function
clf = LogisticRegression().fit(X_train, y_train)
print('Accuracy of Logistic regression classifier on training set: {:.2f}'
     .format(clf.score(X_train, y_train)))
print('Accuracy of Logistic regression classifier on test set: {:.2f}'
     .format(clf.score(X_test, y_test)))
## Accuracy of Logistic regression classifier on training set: 0.96
## Accuracy of Logistic regression classifier on test set: 0.96

To check on other classification algorithms, check my post Practical Machine Learning with R and Python – Part 2. You could also take a look at my book, available on Amazon , in which I implement the most popular Machine Learning algorithms in both R and Python – My book ‘Practical Machine Learning with R and Python’ on Amazon

2. Logistic Regression as a 2 layer Neural Network

In the following section Logistic Regression is implemented as a 2 layer Neural Network in Python, R and Octave. The same cancer data set from sklearn will be used to train and test the Neural Network in Python, R and Octave. This can be represented diagrammatically as below

 

The cancer data set has 30 input features, and the target variable ‘output’ is either 0 or 1. Hence the sigmoid activation function will be used in the output layer for classification.

This simple 2 layer Neural Network is shown below
At the input layer there are 30 features and the corresponding weights of these inputs which are initialized to small random values.
Z= w_{1}x_{1} +w_{2}x_{2} +..+ w_{30}x_{30} + b
where ‘b’ is the bias term

The Activation function is the sigmoid function which is a= 1/(1+e^{-z})
The Loss, when the sigmoid function is used in the output layer, is given by
L=-(ylog(a) + (1-y)log(1-a)) (1)

Gradient Descent

Forward propagation

In forward propagation cycle of the Neural Network the output Z and the output of activation function, the sigmoid function, is first computed. Then using the output ‘y’ for the given features, the ‘Loss’ is computed using equation (1) above.

Backward propagation

The backward propagation cycle determines how the ‘Loss’ is impacted for small variations from the previous layers upto the input layer. In other words, backward propagation computes the changes in the weights at the input layer, which will minimize the loss. Several cycles of gradient descent are performed in the path of steepest descent to find the local minima. In other words the set of weights and biases, at the input layer, which will result in the lowest loss is computed by gradient descent. The weights at the input layer are decreased by a parameter known as the ‘learning rate’. Too big a ‘learning rate’ can overshoot the local minima, and too small a ‘learning rate’ can take a long time to reach the local minima. This is done for ‘m’ training examples.

Chain rule of differentiation
Let y=f(u)
and u=g(x) then
\partial y/\partial x = \partial y/\partial u * \partial u/\partial x

Derivative of sigmoid
\sigma=1/(1+e^{-z})
Let x= 1 + e^{-z}  then
\sigma = 1/x
\partial \sigma/\partial x = -1/x^{2}
\partial x/\partial z = -e^{-z}
Using the chain rule of differentiation we get
\partial \sigma/\partial z = \partial \sigma/\partial x * \partial x/\partial z
=-1/(1+e^{-z})^{2}* -e^{-z} = e^{-z}/(1+e^{-z})^{2}
Therefore \partial \sigma/\partial z = \sigma(1-\sigma)        -(2)

The 3 equations for the 2 layer Neural Network representation of Logistic Regression are
L=-(y*log(a) + (1-y)*log(1-a))      -(a)
a=1/(1+e^{-z})      -(b)
Z= w_{1}x_{1} +w_{2}x_{2} +...+ w_{30}x_{30} +b   -(c)

The back propagation step requires the computation of dL/dw_{i} and dL/db_{i}. In the case of regression it would be dE/dw_{i} and dE/db_{i} where dE is the Mean Squared Error function.
Computing the derivatives for back propagation we have
dL/da = -(y/a + (1-y)/(1-a))          -(d)
because d/dx(logx) = 1/x
Also from equation (2) we get
da/dZ = a (1-a)                                  – (e)
By chain rule
\partial L/\partial Z = \partial L/\partial a * \partial a/\partial Z
therefore substituting the results of (d) & (e) we get
\partial L/\partial Z = -(y/a + (1-y)/(1-a)) * a(1-a) = a-y         (f)
Finally
\partial L/\partial w_{i}= \partial L/\partial a * \partial a/\partial Z * \partial Z/\partial w_{i}                                                           -(g)
\partial Z/\partial w_{i} = x_{i}            – (h)
and from (f) we have  \partial L/\partial Z =a-y
Therefore  (g) reduces to
\partial L/\partial w_{i} = x_{i}* (a-y) -(i)
Also
\partial L/\partial b = \partial L/\partial a * \partial a/\partial Z * \partial Z/\partial b -(j)
Since
\partial Z/\partial b = 1
\partial L/\partial b = a-y

The gradient computes the weights at the input layer and the corresponding bias by using the values
of dw_{i} and db
w_{i} := w_{i} -\alpha * dw_{i}
b := b -\alpha * db
I found the computation graph representation in the book Deep Learning: Ian Goodfellow, Yoshua Bengio, Aaron Courville, very useful to visualize and also compute the backward propagation. For the 2 layer Neural Network of Logistic Regression the computation graph is shown below

3. Neural Network for Logistic Regression -Python code (vectorized)

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split

# Define the sigmoid function
def sigmoid(z):  
    a=1/(1+np.exp(-z))    
    return a

# Initialize
def initialize(dim):
    w = np.zeros(dim).reshape(dim,1)
    b = 0   
    return w

# Compute the loss
def computeLoss(numTraining,Y,A):
    loss=-1/numTraining *np.sum(Y*np.log(A) + (1-Y)*(np.log(1-A)))
    return(loss)

# Execute the forward propagation
def forwardPropagation(w,b,X,Y):
    # Compute Z
    Z=np.dot(w.T,X)+b
    # Determine the number of training samples
    numTraining=float(len(X))
    # Compute the output of the sigmoid activation function 
    A=sigmoid(Z)
    #Compute the loss
    loss = computeLoss(numTraining,Y,A)
    # Compute the gradients dZ, dw and db
    dZ=A-Y
    dw=1/numTraining*np.dot(X,dZ.T)
    db=1/numTraining*np.sum(dZ)
    
    # Return the results as a dictionary
    gradients = {"dw": dw,
             "db": db}
    loss = np.squeeze(loss)
    return gradients,loss

# Compute Gradient Descent    
def gradientDescent(w, b, X, Y, numIerations, learningRate):
    losses=[]
    idx =[]
    # Iterate 
    for i in range(numIerations):
        gradients,loss=forwardPropagation(w,b,X,Y)
        #Get the derivates
        dw = gradients["dw"]
        db = gradients["db"]
        w = w-learningRate*dw
        b = b-learningRate*db

        # Store the loss
        if i % 100 == 0:
            idx.append(i)
            losses.append(loss)      
        # Set params and grads
        params = {"w": w,
                  "b": b}  
        grads = {"dw": dw,
                 "db": db}
    
    return params, grads, losses,idx

# Predict the output for a training set 
def predict(w,b,X):
    size=X.shape[1]
    yPredicted=np.zeros((1,size))
    Z=np.dot(w.T,X)
    # Compute the sigmoid
    A=sigmoid(Z)
    for i in range(A.shape[1]):
        #If the value is > 0.5 then set as 1
        if(A[0][i] > 0.5):
            yPredicted[0][i]=1
        else:
        # Else set as 0
            yPredicted[0][i]=0

    return yPredicted

#Normalize the data   
def normalize(x):
    x_norm = None
    x_norm = np.linalg.norm(x,axis=1,keepdims=True)
    x= x/x_norm
    return x

   
# Run the 2 layer Neural Network on the cancer data set

from sklearn.datasets import load_breast_cancer
# Load the cancer data
(X_cancer, y_cancer) = load_breast_cancer(return_X_y = True)
# Create train and test sets
X_train, X_test, y_train, y_test = train_test_split(X_cancer, y_cancer,
                                                   random_state = 0)
# Normalize the data for better performance
X_train1=normalize(X_train)


# Create weight vectors of zeros. The size is the number of features in the data set=30
w=np.zeros((X_train.shape[1],1))
#w=np.zeros((30,1))
b=0

#Normalize the training data so that gradient descent performs better
X_train1=normalize(X_train)
#Transpose X_train so that we have a matrix as (features, numSamples)
X_train2=X_train1.T

# Reshape to remove the rank 1 array and then transpose
y_train1=y_train.reshape(len(y_train),1)
y_train2=y_train1.T

# Run gradient descent for 4000 times and compute the weights
parameters, grads, costs,idx = gradientDescent(w, b, X_train2, y_train2, numIerations=4000, learningRate=0.75)
w = parameters["w"]
b = parameters["b"]
   

# Normalize X_test
X_test1=normalize(X_test)
#Transpose X_train so that we have a matrix as (features, numSamples)
X_test2=X_test1.T

#Reshape y_test
y_test1=y_test.reshape(len(y_test),1)
y_test2=y_test1.T

# Predict the values for 
yPredictionTest = predict(w, b, X_test2)
yPredictionTrain = predict(w, b, X_train2)

# Print the accuracy
print("train accuracy: {} %".format(100 - np.mean(np.abs(yPredictionTrain - y_train2)) * 100))
print("test accuracy: {} %".format(100 - np.mean(np.abs(yPredictionTest - y_test)) * 100))

# Plot the Costs vs the number of iterations
fig1=plt.plot(idx,costs)
fig1=plt.title("Gradient descent-Cost vs No of iterations")
fig1=plt.xlabel("No of iterations")
fig1=plt.ylabel("Cost")
fig1.figure.savefig("fig1", bbox_inches='tight')
## train accuracy: 90.3755868545 %
## test accuracy: 89.5104895105 %

Note: It can be seen that the Accuracy on the training and test set is 90.37% and 89.51%. This is comparatively poorer than the 96% which the logistic regression of sklearn achieves! But this is mainly because of the absence of hidden layers which is the real power of neural networks.

4. Neural Network for Logistic Regression -R code (vectorized)

source("RFunctions-1.R")
# Define the sigmoid function
sigmoid <- function(z){
    a <- 1/(1+ exp(-z))
    a
}

# Compute the loss
computeLoss <- function(numTraining,Y,A){
    loss <- -1/numTraining* sum(Y*log(A) + (1-Y)*log(1-A))
    return(loss)
}

# Compute forward propagation
forwardPropagation <- function(w,b,X,Y){
    # Compute Z
    Z <- t(w) %*% X +b
    #Set the number of samples
    numTraining <- ncol(X)
    # Compute the activation function
    A=sigmoid(Z) 
    
    #Compute the loss
    loss <- computeLoss(numTraining,Y,A)
    
    # Compute the gradients dZ, dw and db
    dZ<-A-Y
    dw<-1/numTraining * X %*% t(dZ)
    db<-1/numTraining*sum(dZ)
    
    fwdProp <- list("loss" = loss, "dw" = dw, "db" = db)
    return(fwdProp)
}

# Perform one cycle of Gradient descent
gradientDescent <- function(w, b, X, Y, numIerations, learningRate){
    losses <- NULL
    idx <- NULL
    # Loop through the number of iterations
    for(i in 1:numIerations){
        fwdProp <-forwardPropagation(w,b,X,Y)
        #Get the derivatives
        dw <- fwdProp$dw
        db <- fwdProp$db
        #Perform gradient descent
        w = w-learningRate*dw
        b = b-learningRate*db
        l <- fwdProp$loss
        # Stoe the loss
        if(i %% 100 == 0){
            idx <- c(idx,i)
            losses <- c(losses,l)  
        }
    }
    
    # Return the weights and losses
    gradDescnt <- list("w"=w,"b"=b,"dw"=dw,"db"=db,"losses"=losses,"idx"=idx)
   
    return(gradDescnt)
}

# Compute the predicted value for input
predict <- function(w,b,X){
    m=dim(X)[2]
    # Create a ector of 0's
    yPredicted=matrix(rep(0,m),nrow=1,ncol=m)
    Z <- t(w) %*% X +b
    # Compute sigmoid
    A=sigmoid(Z)
    for(i in 1:dim(A)[2]){
        # If A > 0.5 set value as 1
        if(A[1,i] > 0.5)
        yPredicted[1,i]=1
       else
        # Else set as 0
        yPredicted[1,i]=0
    }

    return(yPredicted)
}

# Normalize the matrix
normalize <- function(x){
    #Create the norm of the matrix.Perform the Frobenius norm of the matrix 
    n<-as.matrix(sqrt(rowSums(x^2)))
    #Sweep by rows by norm. Note '1' in the function which performing on every row
    normalized<-sweep(x, 1, n, FUN="/")
    return(normalized)
}

# Run the 2 layer Neural Network on the cancer data set
# Read the data (from sklearn)
cancer <- read.csv("cancer.csv")
# Rename the target variable
names(cancer) <- c(seq(1,30),"output")
# Split as training and test sets
train_idx <- trainTestSplit(cancer,trainPercent=75,seed=5)
train <- cancer[train_idx, ]
test <- cancer[-train_idx, ]

# Set the features
X_train <-train[,1:30]
y_train <- train[,31]
X_test <- test[,1:30]
y_test <- test[,31]
# Create a matrix of 0's with the number of features
w <-matrix(rep(0,dim(X_train)[2]))
b <-0
X_train1 <- normalize(X_train)
X_train2=t(X_train1)

# Reshape  then transpose
y_train1=as.matrix(y_train)
y_train2=t(y_train1)

# Perform gradient descent
gradDescent= gradientDescent(w, b, X_train2, y_train2, numIerations=3000, learningRate=0.77)


# Normalize X_test
X_test1=normalize(X_test)
#Transpose X_train so that we have a matrix as (features, numSamples)
X_test2=t(X_test1)

#Reshape y_test and take transpose
y_test1=as.matrix(y_test)
y_test2=t(y_test1)

# Use the values of the weights generated from Gradient Descent
yPredictionTest = predict(gradDescent$w, gradDescent$b, X_test2)
yPredictionTrain = predict(gradDescent$w, gradDescent$b, X_train2)

sprintf("Train accuracy: %f",(100 - mean(abs(yPredictionTrain - y_train2)) * 100))
## [1] "Train accuracy: 90.845070"
sprintf("test accuracy: %f",(100 - mean(abs(yPredictionTest - y_test)) * 100))
## [1] "test accuracy: 87.323944"
df <-data.frame(gradDescent$idx, gradDescent$losses)
names(df) <- c("iterations","losses")
ggplot(df,aes(x=iterations,y=losses)) + geom_point() + geom_line(col="blue") +
    ggtitle("Gradient Descent - Losses vs No of Iterations") +
    xlab("No of iterations") + ylab("Losses")

4. Neural Network for Logistic Regression -Octave code (vectorized)


1;
# Define sigmoid function
function a = sigmoid(z)
a = 1 ./ (1+ exp(-z));
end
# Compute the loss
function loss=computeLoss(numtraining,Y,A)
loss = -1/numtraining * sum((Y .* log(A)) + (1-Y) .* log(1-A));
end


# Perform forward propagation
function [loss,dw,db,dZ] = forwardPropagation(w,b,X,Y)
% Compute Z
Z = w' * X + b;
numtraining = size(X)(1,2);
# Compute sigmoid
A = sigmoid(Z);


#Compute loss. Note this is element wise product
loss =computeLoss(numtraining,Y,A);
# Compute the gradients dZ, dw and db
dZ = A-Y;
dw = 1/numtraining* X * dZ';
db =1/numtraining*sum(dZ);

end

# Compute Gradient Descent
function [w,b,dw,db,losses,index]=gradientDescent(w, b, X, Y, numIerations, learningRate)
#Initialize losses and idx
losses=[];
index=[];
# Loop through the number of iterations
for i=1:numIerations,
[loss,dw,db,dZ] = forwardPropagation(w,b,X,Y);
# Perform Gradient descent
w = w - learningRate*dw;
b = b - learningRate*db;
if(mod(i,100) ==0)
# Append index and loss
index = [index i];
losses = [losses loss];
endif

end
end

# Determine the predicted value for dataset
function yPredicted = predict(w,b,X)
m = size(X)(1,2);
yPredicted=zeros(1,m);
# Compute Z
Z = w' * X + b;
# Compute sigmoid
A = sigmoid(Z);
for i=1:size(X)(1,2),
# Set predicted as 1 if A > 0,5
if(A(1,i) >= 0.5)
yPredicted(1,i)=1;
else
yPredicted(1,i)=0;
endif
end
end


# Normalize by dividing each value by the sum of squares
function normalized = normalize(x)
# Compute Frobenius norm. Square the elements, sum rows and then find square root
a = sqrt(sum(x .^ 2,2));
# Perform element wise division
normalized = x ./ a;
end


# Split into train and test sets
function [X_train,y_train,X_test,y_test] = trainTestSplit(dataset,trainPercent)
# Create a random index
ix = randperm(length(dataset));
# Split into training
trainSize = floor(trainPercent/100 * length(dataset));
train=dataset(ix(1:trainSize),:);
# And test
test=dataset(ix(trainSize+1:length(dataset)),:);
X_train = train(:,1:30);
y_train = train(:,31);
X_test = test(:,1:30);
y_test = test(:,31);
end


cancer=csvread("cancer.csv");
[X_train,y_train,X_test,y_test] = trainTestSplit(cancer,75);
w=zeros(size(X_train)(1,2),1);
b=0;
X_train1=normalize(X_train);
X_train2=X_train1';
y_train1=y_train';
[w1,b1,dw,db,losses,idx]=gradientDescent(w, b, X_train2, y_train1, numIerations=3000, learningRate=0.75);
# Normalize X_test
X_test1=normalize(X_test);
#Transpose X_train so that we have a matrix as (features, numSamples)
X_test2=X_test1';
y_test1=y_test';
# Use the values of the weights generated from Gradient Descent
yPredictionTest = predict(w1, b1, X_test2);
yPredictionTrain = predict(w1, b1, X_train2);


trainAccuracy=100-mean(abs(yPredictionTrain - y_train1))*100
testAccuracy=100- mean(abs(yPredictionTest - y_test1))*100
trainAccuracy = 90.845
testAccuracy = 89.510
graphics_toolkit('gnuplot')
plot(idx,losses);
title ('Gradient descent- Cost vs No of iterations');
xlabel ("No of iterations");
ylabel ("Cost");

Conclusion
This post starts with a simple 2 layer Neural Network implementation of Logistic Regression. Clearly the performance of this simple Neural Network is comparatively poor to the highly optimized sklearn’s Logistic Regression. This is because the above neural network did not have any hidden layers. Deep Learning & Neural Networks achieve extraordinary performance because of the presence of deep hidden layers

The Deep Learning journey has begun… Don’t miss the bus!
Stay tuned for more interesting posts in Deep Learning!!

References
1. Deep Learning Specialization
2. Neural Networks for Machine Learning
3. Deep Learning, Ian Goodfellow, Yoshua Bengio and Aaron Courville
4. Neural Networks: The mechanics of backpropagation
5. Machine Learning

Also see
1. My book ‘Practical Machine Learning with R and Python’ on Amazon
2. Simplifying Machine Learning: Bias, Variance, regularization and odd facts – Part 4
3. The 3rd paperback & kindle editions of my books on Cricket, now on Amazon
4. Practical Machine Learning with R and Python – Part 4
5. Introducing QCSimulator: A 5-qubit quantum computing simulator in R
6. A Bluemix recipe with MongoDB and Node.js
7. My travels through the realms of Data Science, Machine Learning, Deep Learning and (AI)

To see all posts check Index of posts

The 3rd paperback & kindle editions of my books on Cricket, now on Amazon


The 3rd  paperback & kindle edition of both my books on cricket is now available on Amazon

a) Cricket analytics with cricketr, Third Edition. The paperback edition is $12.99 and the kindle edition is $4.99/Rs320.  This book is based on my R package ‘cricketr‘, available on CRAN and uses ESPN Cricinfo Statsguru

b) Beaten by sheer pace! Cricket analytics with yorkr, 3rd edition . The paperback is $12.99 and the kindle version is $6.99/Rs448. This is based on my R package ‘yorkr‘ on CRAN and uses data from Cricsheet
Pick up your copies today!!

Note: In the 3rd edition of  the paperback book, the charts will be in black and white. If you would like the charts to be in color, please check out the 2nd edition of these books see More book, more cricket! 2nd edition of my books now on Amazon

You may also like
1. My book ‘Practical Machine Learning with R and Python’ on Amazon
2. A crime map of India in R: Crimes against women
3.  What’s up Watson? Using IBM Watson’s QAAPI with Bluemix, NodeExpress – Part 1
4.  Bend it like Bluemix, MongoDB with autoscaling – Part 2
5. Informed choices through Machine Learning : Analyzing Kohli, Tendulkar and Dravid
6. Thinking Web Scale (TWS-3): Map-Reduce – Bring compute to data

To see all posts see Index of posts

My book ‘Practical Machine Learning with R and Python’ on Amazon


Untitled

My book ‘Practical Machine Learning with R and Python – Machine Learning in stereo’ is now available in both paperback ($9.99) and kindle ($6.97/Rs449) versions. In this book I implement some of the most common, but important Machine Learning algorithms in R and equivalent Python code. This is almost like listening to parallel channels of music in stereo!
1. Practical machine with R and Python – Machine Learning in Stereo (Paperback)
2. Practical machine with R and Python – Machine Learning in Stereo (Kindle)
This book is ideal both for beginners and the experts in R and/or Python. Those starting their journey into datascience and ML will find the first 3 chapters useful, as they touch upon the most important programming constructs in R and Python and also deal with equivalent statements in R and Python. Those who are expert in either of the languages, R or Python, will find the equivalent code ideal for brushing up on the other language. And finally,those who are proficient in both languages, can use the R and Python implementations to internalize the ML algorithms better.

Here is a look at the topics covered

Table of Contents
Essential R …………………………………….. 7
Essential Python for Datascience ………………..   54
R vs Python ……………………………………. 77
Regression of a continuous variable ………………. 96
Classification and Cross Validation ……………….113
Regression techniques and regularization …………. 134
SVMs, Decision Trees and Validation curves …………175
Splines, GAMs, Random Forests and Boosting …………202
PCA, K-Means and Hierarchical Clustering …………. 234

Pick up your copy today!!
Hope you have a great time learning as I did while implementing these algorithms!

Practical Machine Learning with R and Python – Part 6


Introduction

This is the final and concluding part of my series on ‘Practical Machine Learning with R and Python’. In this series I included the implementations of the most common Machine Learning algorithms in R and Python. The algorithms implemented were

1. Practical Machine Learning with R and Python – Part 1 In this initial post, I touch upon regression of a continuous target variable. Specifically I touch upon Univariate, Multivariate, Polynomial regression and KNN regression in both R and Python
2. Practical Machine Learning with R and Python – Part 2 In this post, I discuss Logistic Regression, KNN classification and Cross Validation error for both LOOCV and K-Fold in both R and Python
3. Practical Machine Learning with R and Python – Part 3 This 3rd part included feature selection in Machine Learning. Specifically I touch best fit, forward fit, backward fit, ridge(L2 regularization) & lasso (L1 regularization). The post includes equivalent code in R and Python.
4. Practical Machine Learning with R and Python – Part 4 In this part I discussed SVMs, Decision Trees, Validation, Precision-Recall, AUC and ROC curves
5. Practical Machine Learning with R and Python – Part 5  In this penultimate part, I touch upon B-splines, natural splines, smoothing spline, Generalized Additive Models(GAMs), Decision Trees, Random Forests and Gradient Boosted Treess.

In this last part I cover Unsupervised Learning. Specifically I cover the implementations of Principal Component Analysis (PCA). K-Means and Heirarchical Clustering. You can download this R Markdown file from Github at MachineLearning-RandPython-Part6

The content of this post and much more is now available as a compact book  on Amazon in both formats – as Paperback ($9.99) and a Kindle version($6.99/Rs449/). see ‘Practical Machine Learning with R and Python – Machine Learning in stereo

1.1a Principal Component Analysis (PCA) – R code

Principal Component Analysis is used to reduce the dimensionality of the input. In the code below 8 x 8 pixel of handwritten digits is reduced into its principal components. Then a scatter plot of the first 2 principal components give a very good visial representation of the data

library(dplyr)
library(ggplot2)
#Note: This example is adapted from an the example in the book Python Datascience handbook by 
# Jake VanderPlas (https://jakevdp.github.io/PythonDataScienceHandbook/05.09-principal-component-analysis.html)

# Read the digits data (From sklearn datasets)
digits= read.csv("digits.csv")
# Create a digits classes target variable
digitClasses <- factor(digits$X0.000000000000000000e.00.29)

#Invoke the Principal Componsent analysis on columns 1-64
digitsPCA=prcomp(digits[,1:64])

# Create a dataframe of PCA
df <- data.frame(digitsPCA$x)
# Bind the digit classes
df1 <- cbind(df,digitClasses)
# Plot only the first 2 Principal components as a scatter plot. This plot uses only the
# first 2 principal components 
ggplot(df1,aes(x=PC1,y=PC2,col=digitClasses)) + geom_point() +
  ggtitle("Top 2 Principal Components")

1.1 b Variance explained vs no principal components – R code

In the code below the variance explained vs the number of principal components is plotted. It can be seen that with 20 Principal components almost 90% of the variance is explained by this reduced dimensional model.

# Read the digits data (from sklearn datasets)
digits= read.csv("digits.csv")
# Digits target
digitClasses <- factor(digits$X0.000000000000000000e.00.29)
digitsPCA=prcomp(digits[,1:64])


# Get the Standard Deviation
sd=digitsPCA$sdev
# Compute the variance
digitsVar=digitsPCA$sdev^2
#Compute the percent variance explained
percentVarExp=digitsVar/sum(digitsVar)

# Plot the percent variance exlained as a function of the  number of principal components
#plot(cumsum(percentVarExp), xlab="Principal Component", 
#     ylab="Cumulative Proportion of Variance Explained", 
#     main="Principal Components vs % Variance explained",ylim=c(0,1),type='l',lwd=2,
#       col="blue")

1.1c Principal Component Analysis (PCA) – Python code

import numpy as np
from sklearn.decomposition import PCA
from sklearn import decomposition
from sklearn import datasets
import matplotlib.pyplot as plt
  
from sklearn.datasets import load_digits
# Load the digits data
digits = load_digits()
# Select only the first 2 principal components
pca = PCA(2)  # project from 64 to 2 dimensions
#Compute the first 2 PCA
projected = pca.fit_transform(digits.data)

# Plot a scatter plot of the first 2 principal components
plt.scatter(projected[:, 0], projected[:, 1],
            c=digits.target, edgecolor='none', alpha=0.5,
            cmap=plt.cm.get_cmap('spectral', 10))
plt.xlabel('PCA 1')
plt.ylabel('PCA 2')
plt.colorbar();
plt.title("Top 2 Principal Components")
plt.savefig('fig1.png', bbox_inches='tight')

1.1 b Variance vs no principal components

– Python code

import numpy as np
from sklearn.decomposition import PCA
from sklearn import decomposition
from sklearn import datasets
import matplotlib.pyplot as plt
  
from sklearn.datasets import load_digits
digits = load_digits()
# Select all 64 principal components
pca = PCA(64)  # project from 64 to 2 dimensions
projected = pca.fit_transform(digits.data)

# Obtain the explained variance for each principal component
varianceExp= pca.explained_variance_ratio_
# Compute the total sum of variance
totVarExp=np.cumsum(np.round(pca.explained_variance_ratio_, decimals=4)*100)

# Plot the variance explained as a function of the number of principal components
plt.plot(totVarExp)
plt.xlabel('No of principal components')
plt.ylabel('% variance explained')
plt.title('No of Principal Components vs Total Variance explained')
plt.savefig('fig2.png', bbox_inches='tight')

1.2a K-Means – R code

In the code first the scatter plot of the first 2 Principal Components of the handwritten digits is plotted as a scatter plot. Over this plot 10 centroids of the 10 different clusters corresponding the 10 diferent digits is plotted over the original scatter plot.

library(ggplot2)
# Read the digits data
digits= read.csv("digits.csv")
# Create digit classes target variable
digitClasses <- factor(digits$X0.000000000000000000e.00.29)

# Compute the Principal COmponents
digitsPCA=prcomp(digits[,1:64])

# Create a data frame of Principal components and the digit classes 
df <- data.frame(digitsPCA$x)
df1 <- cbind(df,digitClasses)

# Pick only the first 2 principal components
a<- df[,1:2]
# Compute K Means of 10 clusters and allow for 1000 iterations
k<-kmeans(a,10,1000)

# Create a dataframe of the centroids of the clusters
df2<-data.frame(k$centers)

#Plot the first 2 principal components with the K Means centroids
ggplot(df1,aes(x=PC1,y=PC2,col=digitClasses)) + geom_point() +
    geom_point(data=df2,aes(x=PC1,y=PC2),col="black",size = 4) + 
    ggtitle("Top 2 Principal Components with KMeans clustering") 

1.2b K-Means – Python code

The centroids of the 10 different handwritten digits is plotted over the scatter plot of the first 2 principal components.

import numpy as np
from sklearn.decomposition import PCA
from sklearn import decomposition
from sklearn import datasets
import matplotlib.pyplot as plt
from sklearn.datasets import load_digits
from sklearn.cluster import KMeans
digits = load_digits()

# Select only the 1st 2 principal components
pca = PCA(2)  # project from 64 to 2 dimensions
projected = pca.fit_transform(digits.data)

# Create 10 different clusters
kmeans = KMeans(n_clusters=10)

# Compute  the clusters
kmeans.fit(projected)
y_kmeans = kmeans.predict(projected)
# Get the cluster centroids
centers = kmeans.cluster_centers_
centers

#Create a scatter plot of the first 2 principal components
plt.scatter(projected[:, 0], projected[:, 1],
            c=digits.target, edgecolor='none', alpha=0.5,
            cmap=plt.cm.get_cmap('spectral', 10))
plt.xlabel('PCA 1')
plt.ylabel('PCA 2')
plt.colorbar();
# Overlay the centroids on the scatter plot
plt.scatter(centers[:, 0], centers[:, 1], c='darkblue', s=100)
plt.savefig('fig3.png', bbox_inches='tight')

1.3a Heirarchical clusters – R code

Herirachical clusters is another type of unsupervised learning. It successively joins the closest pair of objects (points or clusters) in succession based on some ‘distance’ metric. In this type of clustering we do not have choose the number of centroids. We can cut the created dendrogram mat an appropriate height to get a desired and reasonable number of clusters These are the following ‘distance’ metrics used while combining successive objects

  • Ward
  • Complete
  • Single
  • Average
  • Centroid
# Read the IRIS dataset
iris <- datasets::iris
iris2 <- iris[,-5]
species <- iris[,5]

#Compute the distance matrix
d_iris <- dist(iris2) 

# Use the 'average' method to for the clsuters
hc_iris <- hclust(d_iris, method = "average")

# Plot the clusters
plot(hc_iris)

# Cut tree into 3 groups
sub_grp <- cutree(hc_iris, k = 3)

# Number of members in each cluster
table(sub_grp)
## sub_grp
##  1  2  3 
## 50 64 36
# Draw rectangles around the clusters
rect.hclust(hc_iris, k = 3, border = 2:5)

1.3a Heirarchical clusters – Python code

from sklearn.datasets import load_iris
import matplotlib.pyplot as plt
from scipy.cluster.hierarchy import dendrogram, linkage
# Load the IRIS data set
iris = load_iris()


# Generate the linkage matrix using the average method
Z = linkage(iris.data, 'average')

#Plot the dendrogram
#dendrogram(Z)
#plt.xlabel('Data')
#plt.ylabel('Distance')
#plt.suptitle('Samples clustering', fontweight='bold', fontsize=14);
#plt.savefig('fig4.png', bbox_inches='tight')

Conclusion

This is the last and concluding part of my series on Practical Machine Learning with R and Python. These parallel implementations of R and Python can be used as a quick reference while working on a large project. A person who is adept in one of the languages R or Python, can quickly absorb code in the other language.

Hope you find this series useful!

More interesting things to come. Watch this space!

References

  1. Statistical Learning, Prof Trevor Hastie & Prof Robert Tibesherani, Online Stanford
  2. Applied Machine Learning in Python Prof Kevyn-Collin Thomson, University Of Michigan, Coursera

Also see
1. The many faces of latency
2. Simulating a Web Join in Android
3. The Anamoly
4. yorkr pads up for the Twenty20s:Part 3:Overall team performance against all oppositions
5. Bend it like Bluemix, MongoDB using Auto-scale – Part 1!

To see all posts see ‘Index of posts

Practical Machine Learning with R and Python – Part 5


This is the 5th and probably penultimate part of my series on ‘Practical Machine Learning with R and Python’. The earlier parts of this series included

1. Practical Machine Learning with R and Python – Part 1 In this initial post, I touch upon univariate, multivariate, polynomial regression and KNN regression in R and Python
2.Practical Machine Learning with R and Python – Part 2 In this post, I discuss Logistic Regression, KNN classification and cross validation error for both LOOCV and K-Fold in both R and Python
3.Practical Machine Learning with R and Python – Part 3 This post covered ‘feature selection’ in Machine Learning. Specifically I touch best fit, forward fit, backward fit, ridge(L2 regularization) & lasso (L1 regularization). The post includes equivalent code in R and Python.
4.Practical Machine Learning with R and Python – Part 4 In this part I discussed SVMs, Decision Trees, validation, precision recall, and roc curves

This post ‘Practical Machine Learning with R and Python – Part 5’ discusses regression with B-splines, natural splines, smoothing splines, generalized additive models (GAMS), bagging, random forest and boosting

As with my previous posts in this series, this post is largely based on the following 2 MOOC courses

1. Statistical Learning, Prof Trevor Hastie & Prof Robert Tibesherani, Online Stanford
2. Applied Machine Learning in Python Prof Kevyn-Collin Thomson, University Of Michigan, Coursera

You can download this R Markdown file and associated data files from Github at MachineLearning-RandPython-Part5

The content of this post and much more is now available as a compact book  on Amazon in both formats – as Paperback ($9.99) and a Kindle version($6.99/Rs449/). see ‘Practical Machine Learning with R and Python – Machine Learning in stereo

For this part I have used the data sets from UCI Machine Learning repository(Communities and Crime and Auto MPG)

1. Splines

When performing regression (continuous or logistic) between a target variable and a feature (or a set of features), a single polynomial for the entire range of the data set usually does not perform a good fit.Rather we would need to provide we could fit
regression curves for different section of the data set.

There are several techniques which do this for e.g. piecewise-constant functions, piecewise-linear functions, piecewise-quadratic/cubic/4th order polynomial functions etc. One such set of functions are the cubic splines which fit cubic polynomials to successive sections of the dataset. The points where the cubic splines join, are called ‘knots’.

Since each section has a different cubic spline, there could be discontinuities (or breaks) at these knots. To prevent these discontinuities ‘natural splines’ and ‘smoothing splines’ ensure that the seperate cubic functions have 2nd order continuity at these knots with the adjacent splines. 2nd order continuity implies that the value, 1st order derivative and 2nd order derivative at these knots are equal.

A cubic spline with knots \alpha_{k} , k=1,2,3,..K is a piece-wise cubic polynomial with continuous derivative up to order 2 at each knot. We can write y_{i} = \beta_{0} +\beta_{1}b_{1}(x_{i}) +\beta_{2}b_{2}(x_{i}) + .. + \beta_{K+3}b_{K+3}(x_{i}) + \epsilon_{i}.
For each (x{i},y{i}), b_{i} are called ‘basis’ functions, where  b_{1}(x_{i})=x_{i}b_{2}(x_{i})=x_{i}^2, b_{3}(x_{i})=x_{i}^3, b_{k+3}(x_{i})=(x_{i} -\alpha_{k})^3 where k=1,2,3… K The 1st and 2nd derivatives of cubic splines are continuous at the knots. Hence splines provide a smooth continuous fit to the data by fitting different splines to different sections of the data

1.1a Fit a 4th degree polynomial – R code

In the code below a non-linear function (a 4th order polynomial) is used to fit the data. Usually when we fit a single polynomial to the entire data set the tails of the fit tend to vary a lot particularly if there are fewer points at the ends. Splines help in reducing this variation at the extremities

library(dplyr)
library(ggplot2)
source('RFunctions-1.R')
# Read the data
df=read.csv("auto_mpg.csv",stringsAsFactors = FALSE) # Data from UCI
df1 <- as.data.frame(sapply(df,as.numeric))
#Select specific columns
df2 <- df1 %>% dplyr::select(cylinder,displacement, horsepower,weight, acceleration, year,mpg)
auto <- df2[complete.cases(df2),]
# Fit a 4th degree polynomial
fit=lm(mpg~poly(horsepower,4),data=auto)
#Display a summary of fit
summary(fit)
## 
## Call:
## lm(formula = mpg ~ poly(horsepower, 4), data = auto)
## 
## Residuals:
##      Min       1Q   Median       3Q      Max 
## -14.8820  -2.5802  -0.1682   2.2100  16.1434 
## 
## Coefficients:
##                       Estimate Std. Error t value Pr(>|t|)    
## (Intercept)            23.4459     0.2209 106.161   <2e-16 ***
## poly(horsepower, 4)1 -120.1377     4.3727 -27.475   <2e-16 ***
## poly(horsepower, 4)2   44.0895     4.3727  10.083   <2e-16 ***
## poly(horsepower, 4)3   -3.9488     4.3727  -0.903    0.367    
## poly(horsepower, 4)4   -5.1878     4.3727  -1.186    0.236    
## ---
## Signif. codes:  0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
## 
## Residual standard error: 4.373 on 387 degrees of freedom
## Multiple R-squared:  0.6893, Adjusted R-squared:  0.6861 
## F-statistic: 214.7 on 4 and 387 DF,  p-value: < 2.2e-16
#Get the range of horsepower
hp <- range(auto$horsepower)
#Create a sequence to be used for plotting
hpGrid <- seq(hp[1],hp[2],by=10)
#Predict for these values of horsepower. Set Standard error as TRUE
pred=predict(fit,newdata=list(horsepower=hpGrid),se=TRUE)
#Compute bands on either side that is 2xSE
seBands=cbind(pred$fit+2*pred$se.fit,pred$fit-2*pred$se.fit)
#Plot the fit with Standard Error bands
plot(auto$horsepower,auto$mpg,xlim=hp,cex=.5,col="black",xlab="Horsepower",
     ylab="MPG", main="Polynomial of degree 4")
lines(hpGrid,pred$fit,lwd=2,col="blue")
matlines(hpGrid,seBands,lwd=2,col="blue",lty=3)

fig1-1

1.1b Fit a 4th degree polynomial – Python code

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.preprocessing import PolynomialFeatures
from sklearn.linear_model import LinearRegression
#Read the auto data
autoDF =pd.read_csv("auto_mpg.csv",encoding="ISO-8859-1")
# Select columns
autoDF1=autoDF[['mpg','cylinder','displacement','horsepower','weight','acceleration','year']]
# Convert all columns to numeric
autoDF2 = autoDF1.apply(pd.to_numeric, errors='coerce')

#Drop NAs
autoDF3=autoDF2.dropna()
autoDF3.shape
X=autoDF3[['horsepower']]
y=autoDF3['mpg']
#Create a polynomial of degree 4
poly = PolynomialFeatures(degree=4)
X_poly = poly.fit_transform(X)

# Fit a polynomial regression line
linreg = LinearRegression().fit(X_poly, y)
# Create a range of values
hpGrid = np.arange(np.min(X),np.max(X),10)
hp=hpGrid.reshape(-1,1)
# Transform to 4th degree
poly = PolynomialFeatures(degree=4)
hp_poly = poly.fit_transform(hp)

#Create a scatter plot
plt.scatter(X,y)
# Fit the prediction
ypred=linreg.predict(hp_poly)
plt.title("Poylnomial of degree 4")
fig2=plt.xlabel("Horsepower")
fig2=plt.ylabel("MPG")
# Draw the regression curve
plt.plot(hp,ypred,c="red")
plt.savefig('fig1.png', bbox_inches='tight')

fig1

1.1c Fit a B-Spline – R Code

In the code below a B- Spline is fit to data. The B-spline requires the manual selection of knots

#Splines
library(splines)
# Fit a B-spline to the data. Select knots at 60,75,100,150
fit=lm(mpg~bs(horsepower,df=6,knots=c(60,75,100,150)),data=auto)
# Use the fitted regresion to predict
pred=predict(fit,newdata=list(horsepower=hpGrid),se=T)
# Create a scatter plot
plot(auto$horsepower,auto$mpg,xlim=hp,cex=.5,col="black",xlab="Horsepower",
     ylab="MPG", main="B-Spline with 4 knots")
#Draw lines with 2 Standard Errors on either side
lines(hpGrid,pred$fit,lwd=2)
lines(hpGrid,pred$fit+2*pred$se,lty="dashed")
lines(hpGrid,pred$fit-2*pred$se,lty="dashed")
abline(v=c(60,75,100,150),lty=2,col="darkgreen")

fig2-1

1.1d Fit a Natural Spline – R Code

Here a ‘Natural Spline’ is used to fit .The Natural Spline extrapolates beyond the boundary knots and the ends of the function are much more constrained than a regular spline or a global polynomoial where the ends can wag a lot more. Natural splines do not require the explicit selection of knots

# There is no need to select the knots here. There is a smoothing parameter which
# can be specified by the degrees of freedom 'df' parameter. The natural spline

fit2=lm(mpg~ns(horsepower,df=4),data=auto)
pred=predict(fit2,newdata=list(horsepower=hpGrid),se=T)
plot(auto$horsepower,auto$mpg,xlim=hp,cex=.5,col="black",xlab="Horsepower",
     ylab="MPG", main="Natural Splines")
lines(hpGrid,pred$fit,lwd=2)
lines(hpGrid,pred$fit+2*pred$se,lty="dashed")
lines(hpGrid,pred$fit-2*pred$se,lty="dashed")

fig3-1

1.1.e Fit a Smoothing Spline – R code

Here a smoothing spline is used. Smoothing splines also do not require the explicit setting of knots. We can change the ‘degrees of freedom(df)’ paramater to get the best fit

# Smoothing spline has a smoothing parameter, the degrees of freedom
# This is too wiggly
plot(auto$horsepower,auto$mpg,xlim=hp,cex=.5,col="black",xlab="Horsepower",
     ylab="MPG", main="Smoothing Splines")

# Here df is set to 16. This has a lot of variance
fit=smooth.spline(auto$horsepower,auto$mpg,df=16)
lines(fit,col="red",lwd=2)

# We can use Cross Validation to allow the spline to pick the value of this smpopothing paramter. We do not need to set the degrees of freedom 'df'
fit=smooth.spline(auto$horsepower,auto$mpg,cv=TRUE)
lines(fit,col="blue",lwd=2)

fig4-1

1.1e Splines – Python

There isn’t as much treatment of splines in Python and SKLearn. I did find the LSQUnivariate, UnivariateSpline spline. The LSQUnivariate spline requires the explcit setting of knots

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from scipy.interpolate import LSQUnivariateSpline
autoDF =pd.read_csv("auto_mpg.csv",encoding="ISO-8859-1")
autoDF.shape
autoDF.columns
autoDF1=autoDF[['mpg','cylinder','displacement','horsepower','weight','acceleration','year']]
autoDF2 = autoDF1.apply(pd.to_numeric, errors='coerce')
auto=autoDF2.dropna()
auto=auto[['horsepower','mpg']].sort_values('horsepower')

# Set the knots manually
knots=[65,75,100,150]
# Create an array for X & y
X=np.array(auto['horsepower'])
y=np.array(auto['mpg'])
# Fit a LSQunivariate spline
s = LSQUnivariateSpline(X,y,knots)

#Plot the spline
xs = np.linspace(40,230,1000)
ys = s(xs)
plt.scatter(X, y)
plt.plot(xs, ys)
plt.savefig('fig2.png', bbox_inches='tight')

fig2

1.2 Generalized Additiive models (GAMs)

Generalized Additive Models (GAMs) is a really powerful ML tool.

y_{i} = \beta_{0} + f_{1}(x_{i1}) + f_{2}(x_{i2}) + .. +f_{p}(x_{ip}) + \epsilon_{i}

In GAMs we use a different functions for each of the variables. GAMs give a much better fit since we can choose any function for the different sections

1.2a Generalized Additive Models (GAMs) – R Code

The plot below show the smooth spline that is fit for each of the features horsepower, cylinder, displacement, year and acceleration. We can use any function for example loess, 4rd order polynomial etc.

library(gam)
# Fit a smoothing spline for horsepower, cyliner, displacement and acceleration
gam=gam(mpg~s(horsepower,4)+s(cylinder,5)+s(displacement,4)+s(year,4)+s(acceleration,5),data=auto)
# Display the summary of the fit. This give the significance of each of the paramwetr
# Also an ANOVA is given for each combination of the features
summary(gam)
## 
## Call: gam(formula = mpg ~ s(horsepower, 4) + s(cylinder, 5) + s(displacement, 
##     4) + s(year, 4) + s(acceleration, 5), data = auto)
## Deviance Residuals:
##     Min      1Q  Median      3Q     Max 
## -8.3190 -1.4436 -0.0261  1.2279 12.0873 
## 
## (Dispersion Parameter for gaussian family taken to be 6.9943)
## 
##     Null Deviance: 23818.99 on 391 degrees of freedom
## Residual Deviance: 2587.881 on 370 degrees of freedom
## AIC: 1898.282 
## 
## Number of Local Scoring Iterations: 3 
## 
## Anova for Parametric Effects
##                     Df  Sum Sq Mean Sq  F value    Pr(>F)    
## s(horsepower, 4)     1 15632.8 15632.8 2235.085 < 2.2e-16 ***
## s(cylinder, 5)       1   508.2   508.2   72.666 3.958e-16 ***
## s(displacement, 4)   1   374.3   374.3   53.514 1.606e-12 ***
## s(year, 4)           1  2263.2  2263.2  323.583 < 2.2e-16 ***
## s(acceleration, 5)   1   372.4   372.4   53.246 1.809e-12 ***
## Residuals          370  2587.9     7.0                       
## ---
## Signif. codes:  0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
## 
## Anova for Nonparametric Effects
##                    Npar Df Npar F     Pr(F)    
## (Intercept)                                    
## s(horsepower, 4)         3 13.825 1.453e-08 ***
## s(cylinder, 5)           3 17.668 9.712e-11 ***
## s(displacement, 4)       3 44.573 < 2.2e-16 ***
## s(year, 4)               3 23.364 7.183e-14 ***
## s(acceleration, 5)       4  3.848  0.004453 ** 
## ---
## Signif. codes:  0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
par(mfrow=c(2,3))
plot(gam,se=TRUE)

fig5-1

1.2b Generalized Additive Models (GAMs) – Python Code

I did not find the equivalent of GAMs in SKlearn in Python. There was an early prototype (2012) in Github. Looks like it is still work in progress or has probably been abandoned.

1.3 Tree based Machine Learning Models

Tree based Machine Learning are all based on the ‘bootstrapping’ technique. In bootstrapping given a sample of size N, we create datasets of size N by sampling this original dataset with replacement. Machine Learning models are built on the different bootstrapped samples and then averaged.

Decision Trees as seen above have the tendency to overfit. There are several techniques that help to avoid this namely a) Bagging b) Random Forests c) Boosting

Bagging, Random Forest and Gradient Boosting

Bagging: Bagging, or Bootstrap Aggregation decreases the variance of predictions, by creating separate Decisiion Tree based ML models on the different samples and then averaging these ML models

Random Forests: Bagging is a greedy algorithm and tries to produce splits based on all variables which try to minimize the error. However the different ML models have a high correlation. Random Forests remove this shortcoming, by using a variable and random set of features to split on. Hence the features chosen and the resulting trees are uncorrelated. When these ML models are averaged the performance is much better.

Boosting: Gradient Boosted Decision Trees also use an ensemble of trees but they don’t build Machine Learning models with random set of features at each step. Rather small and simple trees are built. Successive trees try to minimize the error from the earlier trees.

Out of Bag (OOB) Error: In Random Forest and Gradient Boosting for each bootstrap sample taken from the dataset, there will be samples left out. These are known as Out of Bag samples.Classification accuracy carried out on these OOB samples is known as OOB error

1.31a Decision Trees – R Code

The code below creates a Decision tree with the cancer training data. The summary of the fit is output. Based on the ML model, the predict function is used on test data and a confusion matrix is output.

# Read the cancer data
library(tree)
library(caret)
library(e1071)
cancer <- read.csv("cancer.csv",stringsAsFactors = FALSE)
cancer <- cancer[,2:32]
cancer$target <- as.factor(cancer$target)
train_idx <- trainTestSplit(cancer,trainPercent=75,seed=5)
train <- cancer[train_idx, ]
test <- cancer[-train_idx, ]

# Create Decision Tree
cancerStatus=tree(target~.,train)
summary(cancerStatus)
## 
## Classification tree:
## tree(formula = target ~ ., data = train)
## Variables actually used in tree construction:
## [1] "worst.perimeter"      "worst.concave.points" "area.error"          
## [4] "worst.texture"        "mean.texture"         "mean.concave.points" 
## Number of terminal nodes:  9 
## Residual mean deviance:  0.1218 = 50.8 / 417 
## Misclassification error rate: 0.02347 = 10 / 426
pred <- predict(cancerStatus,newdata=test,type="class")
confusionMatrix(pred,test$target)
## Confusion Matrix and Statistics
## 
##           Reference
## Prediction  0  1
##          0 49  7
##          1  8 78
##                                           
##                Accuracy : 0.8944          
##                  95% CI : (0.8318, 0.9397)
##     No Information Rate : 0.5986          
##     P-Value [Acc > NIR] : 4.641e-15       
##                                           
##                   Kappa : 0.7795          
##  Mcnemar's Test P-Value : 1               
##                                           
##             Sensitivity : 0.8596          
##             Specificity : 0.9176          
##          Pos Pred Value : 0.8750          
##          Neg Pred Value : 0.9070          
##              Prevalence : 0.4014          
##          Detection Rate : 0.3451          
##    Detection Prevalence : 0.3944          
##       Balanced Accuracy : 0.8886          
##                                           
##        'Positive' Class : 0               
## 
# Plot decision tree with labels
plot(cancerStatus)
text(cancerStatus,pretty=0)

fig6-1

1.31b Decision Trees – Cross Validation – R Code

We can also perform a Cross Validation on the data to identify the Decision Tree which will give the minimum deviance.

library(tree)
cancer <- read.csv("cancer.csv",stringsAsFactors = FALSE)
cancer <- cancer[,2:32]
cancer$target <- as.factor(cancer$target)
train_idx <- trainTestSplit(cancer,trainPercent=75,seed=5)
train <- cancer[train_idx, ]
test <- cancer[-train_idx, ]

# Create Decision Tree
cancerStatus=tree(target~.,train)

# Execute 10 fold cross validation
cvCancer=cv.tree(cancerStatus)
plot(cvCancer)

fig7-1

# Plot the 
plot(cvCancer$size,cvCancer$dev,type='b')

fig1

prunedCancer=prune.tree(cancerStatus,best=4)
plot(prunedCancer)
text(prunedCancer,pretty=0)

fig2

pred <- predict(prunedCancer,newdata=test,type="class")
confusionMatrix(pred,test$target)
## Confusion Matrix and Statistics
## 
##           Reference
## Prediction  0  1
##          0 50  7
##          1  7 78
##                                          
##                Accuracy : 0.9014         
##                  95% CI : (0.8401, 0.945)
##     No Information Rate : 0.5986         
##     P-Value [Acc > NIR] : 7.988e-16      
##                                          
##                   Kappa : 0.7948         
##  Mcnemar's Test P-Value : 1              
##                                          
##             Sensitivity : 0.8772         
##             Specificity : 0.9176         
##          Pos Pred Value : 0.8772         
##          Neg Pred Value : 0.9176         
##              Prevalence : 0.4014         
##          Detection Rate : 0.3521         
##    Detection Prevalence : 0.4014         
##       Balanced Accuracy : 0.8974         
##                                          
##        'Positive' Class : 0              
## 

1.31c Decision Trees – Python Code

Below is the Python code for creating Decision Trees. The accuracy, precision, recall and F1 score is computed on the test data set.

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.metrics import confusion_matrix
from sklearn import tree
from sklearn.datasets import load_breast_cancer
from sklearn.model_selection import train_test_split
from sklearn.tree import DecisionTreeClassifier
from sklearn.datasets import make_classification, make_blobs
from sklearn.metrics import accuracy_score, precision_score, recall_score, f1_score
import graphviz 

cancer = load_breast_cancer()
(X_cancer, y_cancer) = load_breast_cancer(return_X_y = True)

X_train, X_test, y_train, y_test = train_test_split(X_cancer, y_cancer,
                                                   random_state = 0)
clf = DecisionTreeClassifier().fit(X_train, y_train)

print('Accuracy of Decision Tree classifier on training set: {:.2f}'
     .format(clf.score(X_train, y_train)))
print('Accuracy of Decision Tree classifier on test set: {:.2f}'
     .format(clf.score(X_test, y_test)))

y_predicted=clf.predict(X_test)
confusion = confusion_matrix(y_test, y_predicted)
print('Accuracy: {:.2f}'.format(accuracy_score(y_test, y_predicted)))
print('Precision: {:.2f}'.format(precision_score(y_test, y_predicted)))
print('Recall: {:.2f}'.format(recall_score(y_test, y_predicted)))
print('F1: {:.2f}'.format(f1_score(y_test, y_predicted)))

# Plot the Decision Tree
clf = DecisionTreeClassifier(max_depth=2).fit(X_train, y_train)
dot_data = tree.export_graphviz(clf, out_file=None, 
                         feature_names=cancer.feature_names,  
                         class_names=cancer.target_names,  
                         filled=True, rounded=True,  
                         special_characters=True)  
graph = graphviz.Source(dot_data)  
graph
## Accuracy of Decision Tree classifier on training set: 1.00
## Accuracy of Decision Tree classifier on test set: 0.87
## Accuracy: 0.87
## Precision: 0.97
## Recall: 0.82
## F1: 0.89

tree

1.31d Decision Trees – Cross Validation – Python Code

In the code below 5-fold cross validation is performed for different depths of the tree and the accuracy is computed. The accuracy on the test set seems to plateau when the depth is 8. But it is seen to increase again from 10 to 12. More analysis needs to be done here


import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.datasets import load_breast_cancer
from sklearn.tree import DecisionTreeClassifier
(X_cancer, y_cancer) = load_breast_cancer(return_X_y = True)
from sklearn.cross_validation import train_test_split, KFold
def computeCVAccuracy(X,y,folds):
    accuracy=[]
    foldAcc=[]
    depth=[1,2,3,4,5,6,7,8,9,10,11,12]
    nK=len(X)/float(folds)
    xval_err=0
    for i in depth: 
        kf = KFold(len(X),n_folds=folds)
        for train_index, test_index in kf:
            X_train, X_test = X.iloc[train_index], X.iloc[test_index]
            y_train, y_test = y.iloc[train_index], y.iloc[test_index]  
            clf = DecisionTreeClassifier(max_depth = i).fit(X_train, y_train)
            score=clf.score(X_test, y_test)
            accuracy.append(score)     
            
        foldAcc.append(np.mean(accuracy))  
        
    return(foldAcc)
    
    
cvAccuracy=computeCVAccuracy(pd.DataFrame(X_cancer),pd.DataFrame(y_cancer),folds=10)

df1=pd.DataFrame(cvAccuracy)
df1.columns=['cvAccuracy']
df=df1.reindex([1,2,3,4,5,6,7,8,9,10,11,12])
df.plot()
plt.title("Decision Tree - 10-fold Cross Validation Accuracy vs Depth of tree")
plt.xlabel("Depth of tree")
plt.ylabel("Accuracy")
plt.savefig('fig3.png', bbox_inches='tight')

 

 

fig3

 

1.4a Random Forest – R code

A Random Forest is fit using the Boston data. The summary shows that 4 variables were randomly chosen at each split and the resulting ML model explains 88.72% of the test data. Also the variable importance is plotted. It can be seen that ‘rooms’ and ‘status’ are the most influential features in the model

library(randomForest)
df=read.csv("Boston.csv",stringsAsFactors = FALSE) # Data from MASS - SL

# Select specific columns
Boston <- df %>% dplyr::select("crimeRate","zone","indus","charles","nox","rooms","age",                          "distances","highways","tax","teacherRatio","color",
                               "status","medianValue")

# Fit a Random Forest on the Boston training data
rfBoston=randomForest(medianValue~.,data=Boston)
# Display the summatu of the fit. It can be seen that the MSE is 10.88 
# and the percentage variance explained is 86.14%. About 4 variables were tried at each # #split for a maximum tree of 500.
# The MSE and percent variance is on Out of Bag trees
rfBoston
## 
## Call:
##  randomForest(formula = medianValue ~ ., data = Boston) 
##                Type of random forest: regression
##                      Number of trees: 500
## No. of variables tried at each split: 4
## 
##           Mean of squared residuals: 9.521672
##                     % Var explained: 88.72
#List and plot the variable importances
importance(rfBoston)
##              IncNodePurity
## crimeRate        2602.1550
## zone              258.8057
## indus            2599.6635
## charles           240.2879
## nox              2748.8485
## rooms           12011.6178
## age              1083.3242
## distances        2432.8962
## highways          393.5599
## tax              1348.6987
## teacherRatio     2841.5151
## color             731.4387
## status          12735.4046
varImpPlot(rfBoston)

fig8-1

1.4b Random Forest-OOB and Cross Validation Error – R code

The figure below shows the OOB error and the Cross Validation error vs the ‘mtry’. Here mtry indicates the number of random features that are chosen at each split. The lowest test error occurs when mtry = 8

library(randomForest)
df=read.csv("Boston.csv",stringsAsFactors = FALSE) # Data from MASS - SL

# Select specific columns
Boston <- df %>% dplyr::select("crimeRate","zone","indus","charles","nox","rooms","age",                          "distances","highways","tax","teacherRatio","color",
                               "status","medianValue")
# Split as training and tst sets
train_idx <- trainTestSplit(Boston,trainPercent=75,seed=5)
train <- Boston[train_idx, ]
test <- Boston[-train_idx, ]

#Initialize OOD and testError
oobError <- NULL
testError <- NULL
# In the code below the number of variables to consider at each split is increased
# from 1 - 13(max features) and the OOB error and the MSE is computed
for(i in 1:13){
    fitRF=randomForest(medianValue~.,data=train,mtry=i,ntree=400)
    oobError[i] <-fitRF$mse[400]
    pred <- predict(fitRF,newdata=test)
    testError[i] <- mean((pred-test$medianValue)^2)
}

# We can see the OOB and Test Error. It can be seen that the Random Forest performs
# best with the lowers MSE at mtry=6
matplot(1:13,cbind(testError,oobError),pch=19,col=c("red","blue"),
        type="b",xlab="mtry(no of varaibles at each split)", ylab="Mean Squared Error",
        main="Random Forest - OOB and Test Error")
legend("topright",legend=c("OOB","Test"),pch=19,col=c("red","blue"))

fig9-1

1.4c Random Forest – Python code

The python code for Random Forest Regression is shown below. The training and test score is computed. The variable importance shows that ‘rooms’ and ‘status’ are the most influential of the variables

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.ensemble import RandomForestRegressor
df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1")

X=df[['crimeRate','zone', 'indus','charles','nox','rooms', 'age','distances','highways','tax',
       'teacherRatio','color','status']]
y=df['medianValue']

X_train, X_test, y_train, y_test = train_test_split(X, y, random_state = 0)

regr = RandomForestRegressor(max_depth=4, random_state=0)
regr.fit(X_train, y_train)

print('R-squared score (training): {:.3f}'
     .format(regr.score(X_train, y_train)))
print('R-squared score (test): {:.3f}'
     .format(regr.score(X_test, y_test)))

feature_names=['crimeRate','zone', 'indus','charles','nox','rooms', 'age','distances','highways','tax',
       'teacherRatio','color','status']
print(regr.feature_importances_)
plt.figure(figsize=(10,6),dpi=80)
c_features=X_train.shape[1]
plt.barh(np.arange(c_features),regr.feature_importances_)
plt.xlabel("Feature importance")
plt.ylabel("Feature name")

plt.yticks(np.arange(c_features), feature_names)
plt.tight_layout()

plt.savefig('fig4.png', bbox_inches='tight')
## R-squared score (training): 0.917
## R-squared score (test): 0.734
## [ 0.03437382  0.          0.00580335  0.          0.00731004  0.36461548
##   0.00638577  0.03432173  0.0041244   0.01732328  0.01074148  0.0012638
##   0.51373683]

fig4

1.4d Random Forest – Cross Validation and OOB Error – Python code

As with R the ‘max_features’ determines the random number of features the random forest will use at each split. The plot shows that when max_features=8 the MSE is lowest

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.ensemble import RandomForestRegressor
from sklearn.model_selection import cross_val_score
df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1")

X=df[['crimeRate','zone', 'indus','charles','nox','rooms', 'age','distances','highways','tax',
       'teacherRatio','color','status']]
y=df['medianValue']

cvError=[]
oobError=[]
oobMSE=[]
for i in range(1,13):
    regr = RandomForestRegressor(max_depth=4, n_estimators=400,max_features=i,oob_score=True,random_state=0)
    mse= np.mean(cross_val_score(regr, X, y, cv=5,scoring = 'neg_mean_squared_error'))
    # Since this is neg_mean_squared_error I have inverted the sign to get MSE
    cvError.append(-mse)
    # Fit on all data to compute OOB error
    regr.fit(X, y)
    # Record the OOB error for each `max_features=i` setting
    oob = 1 - regr.oob_score_
    oobError.append(oob)
    # Get the Out of Bag prediction
    oobPred=regr.oob_prediction_ 
    # Compute the Mean Squared Error between OOB Prediction and target
    mseOOB=np.mean(np.square(oobPred-y))
    oobMSE.append(mseOOB)

# Plot the CV Error and OOB Error
# Set max_features
maxFeatures=np.arange(1,13) 
cvError=pd.DataFrame(cvError,index=maxFeatures)
oobMSE=pd.DataFrame(oobMSE,index=maxFeatures)
#Plot
fig8=df.plot()
fig8=plt.title('Random forest - CV Error and OOB Error vs max_features')
fig8.figure.savefig('fig8.png', bbox_inches='tight')

#Plot the OOB Error vs max_features
plt.plot(range(1,13),oobError)
fig2=plt.title("Random Forest - OOB Error vs max_features (variable no of features)")
fig2=plt.xlabel("max_features (variable no of features)")
fig2=plt.ylabel("OOB Error")
fig2.figure.savefig('fig7.png', bbox_inches='tight')

fig8 fig7

1.5a Boosting – R code

Here a Gradient Boosted ML Model is built with a n.trees=5000, with a learning rate of 0.01 and depth of 4. The feature importance plot also shows that rooms and status are the 2 most important features. The MSE vs the number of trees plateaus around 2000 trees

library(gbm)
# Perform gradient boosting on the Boston data set. The distribution is gaussian since we
# doing MSE. The interaction depth specifies the number of splits
boostBoston=gbm(medianValue~.,data=train,distribution="gaussian",n.trees=5000,
                shrinkage=0.01,interaction.depth=4)
#The summary gives the variable importance. The 2 most significant variables are
# number of rooms and lower status
summary(boostBoston)

##                       var    rel.inf
## rooms               rooms 42.2267200
## status             status 27.3024671
## distances       distances  7.9447972
## crimeRate       crimeRate  5.0238827
## nox                   nox  4.0616548
## teacherRatio teacherRatio  3.1991999
## age                   age  2.7909772
## color               color  2.3436295
## tax                   tax  2.1386213
## charles           charles  1.3799109
## highways         highways  0.7644026
## indus               indus  0.7236082
## zone                 zone  0.1001287
# The plots below show how each variable relates to the median value of the home. As
# the number of roomd increase the median value increases and with increase in lower status
# the median value decreases
par(mfrow=c(1,2))
#Plot the relation between the top 2 features and the target
plot(boostBoston,i="rooms")
plot(boostBoston,i="status")

fig10-2

# Create a sequence of trees between 100-5000 incremented by 50
nTrees=seq(100,5000,by=50)
# Predict the values for the test data
pred <- predict(boostBoston,newdata=test,n.trees=nTrees)
# Compute the mean for each of the MSE for each of the number of trees 
boostError <- apply((pred-test$medianValue)^2,2,mean)
#Plot the MSE vs the number of trees
plot(nTrees,boostError,pch=19,col="blue",ylab="Mean Squared Error",
     main="Boosting Test Error")

fig10-3

1.5b Cross Validation Boosting – R code

Included below is a cross validation error vs the learning rate. The lowest error is when learning rate = 0.09

cvError <- NULL
s <- c(.001,0.01,0.03,0.05,0.07,0.09,0.1)
for(i in seq_along(s)){
    cvBoost=gbm(medianValue~.,data=train,distribution="gaussian",n.trees=5000,
                shrinkage=s[i],interaction.depth=4,cv.folds=5)
    cvError[i] <- mean(cvBoost$cv.error)
}

# Create a data frame for plotting
a <- rbind(s,cvError)
b <- as.data.frame(t(a))
# It can be seen that a shrinkage parameter of 0,05 gives the lowes CV Error
ggplot(b,aes(s,cvError)) + geom_point() + geom_line(color="blue") + 
    xlab("Shrinkage") + ylab("Cross Validation Error") +
    ggtitle("Gradient boosted trees - Cross Validation error vs Shrinkage")

fig11-1

1.5c Boosting – Python code

A gradient boost ML model in Python is created below. The Rsquared score is computed on the training and test data.

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.ensemble import GradientBoostingRegressor
df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1")

X=df[['crimeRate','zone', 'indus','charles','nox','rooms', 'age','distances','highways','tax',
       'teacherRatio','color','status']]
y=df['medianValue']

X_train, X_test, y_train, y_test = train_test_split(X, y, random_state = 0)

regr = GradientBoostingRegressor()
regr.fit(X_train, y_train)

print('R-squared score (training): {:.3f}'
     .format(regr.score(X_train, y_train)))
print('R-squared score (test): {:.3f}'
     .format(regr.score(X_test, y_test)))
## R-squared score (training): 0.983
## R-squared score (test): 0.821

1.5c Cross Validation Boosting – Python code

the cross validation error is computed as the learning rate is varied. The minimum CV eror occurs when lr = 0.04

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.ensemble import RandomForestRegressor
from sklearn.ensemble import GradientBoostingRegressor
from sklearn.model_selection import cross_val_score
df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1")

X=df[['crimeRate','zone', 'indus','charles','nox','rooms', 'age','distances','highways','tax',
       'teacherRatio','color','status']]
y=df['medianValue']

cvError=[]
learning_rate =[.001,0.01,0.03,0.05,0.07,0.09,0.1]
for lr in learning_rate:
    regr = GradientBoostingRegressor(max_depth=4, n_estimators=400,learning_rate  =lr,random_state=0)
    mse= np.mean(cross_val_score(regr, X, y, cv=10,scoring = 'neg_mean_squared_error'))
    # Since this is neg_mean_squared_error I have inverted the sign to get MSE
    cvError.append(-mse)
learning_rate =[.001,0.01,0.03,0.05,0.07,0.09,0.1]
plt.plot(learning_rate,cvError)
plt.title("Gradient Boosting - 5-fold CV- Mean Squared Error vs max_features (variable no of features)")
plt.xlabel("max_features (variable no of features)")
plt.ylabel("Mean Squared Error")
plt.savefig('fig6.png', bbox_inches='tight')

fig6

Conclusion This post covered Splines and Tree based ML models like Bagging, Random Forest and Boosting. Stay tuned for further updates.

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Practical Machine Learning with R and Python – Part 4


This is the 4th installment of my ‘Practical Machine Learning with R and Python’ series. In this part I discuss classification with Support Vector Machines (SVMs), using both a Linear and a Radial basis kernel, and Decision Trees. Further, a closer look is taken at some of the metrics associated with binary classification, namely accuracy vs precision and recall. I also touch upon Validation curves, Precision-Recall, ROC curves and AUC with equivalent code in R and Python

This post is a continuation of my 3 earlier posts on Practical Machine Learning in R and Python
1. Practical Machine Learning with R and Python – Part 1
2. Practical Machine Learning with R and Python – Part 2
3. Practical Machine Learning with R and Python – Part 3

The RMarkdown file with the code and the associated data files can be downloaded from Github at MachineLearning-RandPython-Part4

The content of this post and much more is now available as a compact book  on Amazon in both formats – as Paperback ($9.99) and a Kindle version($6.99/Rs449/). see ‘Practical Machine Learning with R and Python – Machine Learning in stereo

Support Vector Machines (SVM) are another useful Machine Learning model that can be used for both regression and classification problems. SVMs used in classification, compute the hyperplane, that separates the 2 classes with the maximum margin. To do this the features may be transformed into a larger multi-dimensional feature space. SVMs can be used with different kernels namely linear, polynomial or radial basis to determine the best fitting model for a given classification problem.

In the 2nd part of this series Practical Machine Learning with R and Python – Part 2, I had mentioned the various metrics that are used in classification ML problems namely Accuracy, Precision, Recall and F1 score. Accuracy gives the fraction of data that were correctly classified as belonging to the +ve or -ve class. However ‘accuracy’ in itself is not a good enough measure because it does not take into account the fraction of the data that were incorrectly classified. This issue becomes even more critical in different domains. For e.g a surgeon who would like to detect cancer, would like to err on the side of caution, and classify even a possibly non-cancerous patient as possibly having cancer, rather than mis-classifying a malignancy as benign. Here we would like to increase recall or sensitivity which is  given by Recall= TP/(TP+FN) or we try reduce mis-classification by either increasing the (true positives) TP or reducing (false negatives) FN

On the other hand, search algorithms would like to increase precision which tries to reduce the number of irrelevant results in the search result. Precision= TP/(TP+FP). In other words we do not want ‘false positives’ or irrelevant results to come in the search results and there is a need to reduce the false positives.

When we try to increase ‘precision’, we do so at the cost of ‘recall’, and vice-versa. I found this diagram and explanation in Wikipedia very useful Source: Wikipedia

“Consider a brain surgeon tasked with removing a cancerous tumor from a patient’s brain. The surgeon needs to remove all of the tumor cells since any remaining cancer cells will regenerate the tumor. Conversely, the surgeon must not remove healthy brain cells since that would leave the patient with impaired brain function. The surgeon may be more liberal in the area of the brain she removes to ensure she has extracted all the cancer cells. This decision increases recall but reduces precision. On the other hand, the surgeon may be more conservative in the brain she removes to ensure she extracts only cancer cells. This decision increases precision but reduces recall. That is to say, greater recall increases the chances of removing healthy cells (negative outcome) and increases the chances of removing all cancer cells (positive outcome). Greater precision decreases the chances of removing healthy cells (positive outcome) but also decreases the chances of removing all cancer cells (negative outcome).”

1.1a. Linear SVM – R code

In R code below I use SVM with linear kernel

source('RFunctions-1.R')
library(dplyr)
library(e1071)
library(caret)
library(reshape2)
library(ggplot2)
# Read data. Data from SKLearn
cancer <- read.csv("cancer.csv")
cancer$target <- as.factor(cancer$target)

# Split into training and test sets
train_idx <- trainTestSplit(cancer,trainPercent=75,seed=5)
train <- cancer[train_idx, ]
test <- cancer[-train_idx, ]

# Fit a linear basis kernel. DO not scale the data
svmfit=svm(target~., data=train, kernel="linear",scale=FALSE)
ypred=predict(svmfit,test)
#Print a confusion matrix
confusionMatrix(ypred,test$target)
## Confusion Matrix and Statistics
## 
##           Reference
## Prediction  0  1
##          0 54  3
##          1  3 82
##                                           
##                Accuracy : 0.9577          
##                  95% CI : (0.9103, 0.9843)
##     No Information Rate : 0.5986          
##     P-Value [Acc > NIR] : <2e-16          
##                                           
##                   Kappa : 0.9121          
##  Mcnemar's Test P-Value : 1               
##                                           
##             Sensitivity : 0.9474          
##             Specificity : 0.9647          
##          Pos Pred Value : 0.9474          
##          Neg Pred Value : 0.9647          
##              Prevalence : 0.4014          
##          Detection Rate : 0.3803          
##    Detection Prevalence : 0.4014          
##       Balanced Accuracy : 0.9560          
##                                           
##        'Positive' Class : 0               
## 

1.1b Linear SVM – Python code

The code below creates a SVM with linear basis in Python and also dumps the corresponding classification metrics

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.svm import LinearSVC

from sklearn.datasets import make_classification, make_blobs

from sklearn.metrics import confusion_matrix
from matplotlib.colors import ListedColormap
from sklearn.datasets import load_breast_cancer
# Load the cancer data
(X_cancer, y_cancer) = load_breast_cancer(return_X_y = True)
X_train, X_test, y_train, y_test = train_test_split(X_cancer, y_cancer,
                                                   random_state = 0)
clf = LinearSVC().fit(X_train, y_train)
print('Breast cancer dataset')
print('Accuracy of Linear SVC classifier on training set: {:.2f}'
     .format(clf.score(X_train, y_train)))
print('Accuracy of Linear SVC classifier on test set: {:.2f}'
     .format(clf.score(X_test, y_test)))
## Breast cancer dataset
## Accuracy of Linear SVC classifier on training set: 0.92
## Accuracy of Linear SVC classifier on test set: 0.94

1.2 Dummy classifier

Often when we perform classification tasks using any ML model namely logistic regression, SVM, neural networks etc. it is very useful to determine how well the ML model performs agains at dummy classifier. A dummy classifier uses some simple computation like frequency of majority class, instead of fitting and ML model. It is essential that our ML model does much better that the dummy classifier. This problem is even more important in imbalanced classes where we have only about 10% of +ve samples. If any ML model we create has a accuracy of about 0.90 then it is evident that our classifier is not doing any better than a dummy classsfier which can just take a majority count of this imbalanced class and also come up with 0.90. We need to be able to do better than that.

In the examples below (1.3a & 1.3b) it can be seen that SVMs with ‘radial basis’ kernel with unnormalized data, for both R and Python, do not perform any better than the dummy classifier.

1.2a Dummy classifier – R code

R does not seem to have an explicit dummy classifier. I created a simple dummy classifier that predicts the majority class. SKlearn in Python also includes other strategies like uniform, stratified etc. but this should be possible to create in R also.

# Create a simple dummy classifier that computes the ratio of the majority class to the totla
DummyClassifierAccuracy <- function(train,test,type="majority"){
  if(type=="majority"){
      count <- sum(train$target==1)/dim(train)[1]
  }
  count
}


cancer <- read.csv("cancer.csv")
cancer$target <- as.factor(cancer$target)

# Create training and test sets
train_idx <- trainTestSplit(cancer,trainPercent=75,seed=5)
train <- cancer[train_idx, ]
test <- cancer[-train_idx, ]

#Dummy classifier majority class
acc=DummyClassifierAccuracy(train,test)
sprintf("Accuracy is %f",acc)
## [1] "Accuracy is 0.638498"

1.2b Dummy classifier – Python code

This dummy classifier uses the majority class.

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.datasets import load_breast_cancer
from sklearn.model_selection import train_test_split
from sklearn.dummy import DummyClassifier
from sklearn.metrics import confusion_matrix
(X_cancer, y_cancer) = load_breast_cancer(return_X_y = True)
X_train, X_test, y_train, y_test = train_test_split(X_cancer, y_cancer,
                                                   random_state = 0)

# Negative class (0) is most frequent
dummy_majority = DummyClassifier(strategy = 'most_frequent').fit(X_train, y_train)
y_dummy_predictions = dummy_majority.predict(X_test)

print('Dummy classifier accuracy on test set: {:.2f}'
     .format(dummy_majority.score(X_test, y_test)))
## Dummy classifier accuracy on test set: 0.63

1.3a – Radial SVM (un-normalized) – R code

SVMs perform better when the data is normalized or scaled. The 2 examples below show that SVM with radial basis kernel does not perform any better than the dummy classifier

library(dplyr)
library(e1071)
library(caret)
library(reshape2)
library(ggplot2)

# Radial SVM unnormalized
train_idx <- trainTestSplit(cancer,trainPercent=75,seed=5)
train <- cancer[train_idx, ]
test <- cancer[-train_idx, ]
# Unnormalized data
svmfit=svm(target~., data=train, kernel="radial",cost=10,scale=FALSE)
ypred=predict(svmfit,test)
confusionMatrix(ypred,test$target)
## Confusion Matrix and Statistics
## 
##           Reference
## Prediction  0  1
##          0  0  0
##          1 57 85
##                                           
##                Accuracy : 0.5986          
##                  95% CI : (0.5131, 0.6799)
##     No Information Rate : 0.5986          
##     P-Value [Acc > NIR] : 0.5363          
##                                           
##                   Kappa : 0               
##  Mcnemar's Test P-Value : 1.195e-13       
##                                           
##             Sensitivity : 0.0000          
##             Specificity : 1.0000          
##          Pos Pred Value :    NaN          
##          Neg Pred Value : 0.5986          
##              Prevalence : 0.4014          
##          Detection Rate : 0.0000          
##    Detection Prevalence : 0.0000          
##       Balanced Accuracy : 0.5000          
##                                           
##        'Positive' Class : 0               
## 

1.4b – Radial SVM (un-normalized) – Python code

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.datasets import load_breast_cancer
from sklearn.model_selection import train_test_split
from sklearn.svm import SVC

# Load the cancer data
(X_cancer, y_cancer) = load_breast_cancer(return_X_y = True)
X_train, X_test, y_train, y_test = train_test_split(X_cancer, y_cancer,
                                                   random_state = 0)


clf = SVC(C=10).fit(X_train, y_train)
print('Breast cancer dataset (unnormalized features)')
print('Accuracy of RBF-kernel SVC on training set: {:.2f}'
     .format(clf.score(X_train, y_train)))
print('Accuracy of RBF-kernel SVC on test set: {:.2f}'
     .format(clf.score(X_test, y_test)))
## Breast cancer dataset (unnormalized features)
## Accuracy of RBF-kernel SVC on training set: 1.00
## Accuracy of RBF-kernel SVC on test set: 0.63

1.5a – Radial SVM (Normalized) -R Code

The data is scaled (normalized ) before using the SVM model. The SVM model has 2 paramaters a) C – Large C (less regularization), more regularization b) gamma – Small gamma has larger decision boundary with more misclassfication, and larger gamma has tighter decision boundary

The R code below computes the accuracy as the regularization paramater is changed

trainingAccuracy <- NULL
testAccuracy <- NULL
C1 <- c(.01,.1, 1, 10, 20)
for(i in  C1){
  
    svmfit=svm(target~., data=train, kernel="radial",cost=i,scale=TRUE)
    ypredTrain <-predict(svmfit,train)
    ypredTest=predict(svmfit,test)
    a <-confusionMatrix(ypredTrain,train$target)
    b <-confusionMatrix(ypredTest,test$target)
    trainingAccuracy <-c(trainingAccuracy,a$overall[1])
    testAccuracy <-c(testAccuracy,b$overall[1])
    
}
print(trainingAccuracy)
##  Accuracy  Accuracy  Accuracy  Accuracy  Accuracy 
## 0.6384977 0.9671362 0.9906103 0.9976526 1.0000000
print(testAccuracy)
##  Accuracy  Accuracy  Accuracy  Accuracy  Accuracy 
## 0.5985915 0.9507042 0.9647887 0.9507042 0.9507042
a <-rbind(C1,as.numeric(trainingAccuracy),as.numeric(testAccuracy))
b <- data.frame(t(a))
names(b) <- c("C1","trainingAccuracy","testAccuracy")
df <- melt(b,id="C1")
ggplot(df) + geom_line(aes(x=C1, y=value, colour=variable),size=2) +
    xlab("C (SVC regularization)value") + ylab("Accuracy") +
    ggtitle("Training and test accuracy vs C(regularization)")

1.5b – Radial SVM (normalized) – Python

The Radial basis kernel is used on normalized data for a range of ‘C’ values and the result is plotted.

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.datasets import load_breast_cancer
from sklearn.model_selection import train_test_split
from sklearn.svm import SVC
from sklearn.preprocessing import MinMaxScaler
scaler = MinMaxScaler()

# Load the cancer data
(X_cancer, y_cancer) = load_breast_cancer(return_X_y = True)
X_train, X_test, y_train, y_test = train_test_split(X_cancer, y_cancer,
                                                   random_state = 0)
X_train_scaled = scaler.fit_transform(X_train)
X_test_scaled = scaler.transform(X_test)
   
print('Breast cancer dataset (normalized with MinMax scaling)')
trainingAccuracy=[]
testAccuracy=[]
for C1 in [.01,.1, 1, 10, 20]:
    clf = SVC(C=C1).fit(X_train_scaled, y_train)
    acctrain=clf.score(X_train_scaled, y_train)
    accTest=clf.score(X_test_scaled, y_test)
    trainingAccuracy.append(acctrain)
    testAccuracy.append(accTest)
    
# Create a dataframe
C1=[.01,.1, 1, 10, 20]   
trainingAccuracy=pd.DataFrame(trainingAccuracy,index=C1)
testAccuracy=pd.DataFrame(testAccuracy,index=C1)

# Plot training and test R squared as a function of alpha
df=pd.concat([trainingAccuracy,testAccuracy],axis=1)
df.columns=['trainingAccuracy','trainingAccuracy']

fig1=df.plot()
fig1=plt.title('Training and test accuracy vs C (SVC)')
fig1.figure.savefig('fig1.png', bbox_inches='tight')
## Breast cancer dataset (normalized with MinMax scaling)

Output image: 

1.6a Validation curve – R code

Sklearn includes code creating validation curves by varying paramaters and computing and plotting accuracy as gamma or C or changd. I did not find this R but I think this is a useful function and so I have created the R equivalent of this.

# The R equivalent of np.logspace
seqLogSpace <- function(start,stop,len){
  a=seq(log10(10^start),log10(10^stop),length=len)
  10^a
}

# Read the data. This is taken the SKlearn cancer data
cancer <- read.csv("cancer.csv")
cancer$target <- as.factor(cancer$target)

set.seed(6)

# Create the range of C1 in log space
param_range = seqLogSpace(-3,2,20)
# Initialize the overall training and test accuracy to NULL
overallTrainAccuracy <- NULL
overallTestAccuracy <- NULL

# Loop over the parameter range of Gamma
for(i in param_range){
    # Set no of folds
    noFolds=5
    # Create the rows which fall into different folds from 1..noFolds
    folds = sample(1:noFolds, nrow(cancer), replace=TRUE) 
    # Initialize the training and test accuracy of folds to 0
    trainingAccuracy <- 0
    testAccuracy <- 0
    
    # Loop through the folds
    for(j in 1:noFolds){
        # The training is all rows for which the row is != j (k-1 folds -> training)
        train <- cancer[folds!=j,]
        # The rows which have j as the index become the test set
        test <- cancer[folds==j,]
        # Create a SVM model for this
        svmfit=svm(target~., data=train, kernel="radial",gamma=i,scale=TRUE)
  
        # Add up all the fold accuracy for training and test separately  
        ypredTrain <-predict(svmfit,train)
        ypredTest=predict(svmfit,test)
        
        # Create confusion matrix 
        a <-confusionMatrix(ypredTrain,train$target)
        b <-confusionMatrix(ypredTest,test$target)
        # Get the accuracy
        trainingAccuracy <-trainingAccuracy + a$overall[1]
        testAccuracy <-testAccuracy+b$overall[1]

    }
    # Compute the average of accuracy for K folds for number of features 'i'
    overallTrainAccuracy=c(overallTrainAccuracy,trainingAccuracy/noFolds)
    overallTestAccuracy=c(overallTestAccuracy,testAccuracy/noFolds)
}
#Create a dataframe
a <- rbind(param_range,as.numeric(overallTrainAccuracy),
               as.numeric(overallTestAccuracy))
b <- data.frame(t(a))
names(b) <- c("C1","trainingAccuracy","testAccuracy")
df <- melt(b,id="C1")
#Plot in log axis
ggplot(df) + geom_line(aes(x=C1, y=value, colour=variable),size=2) +
      xlab("C (SVC regularization)value") + ylab("Accuracy") +
      ggtitle("Training and test accuracy vs C(regularization)") + scale_x_log10()

1.6b Validation curve – Python

Compute and plot the validation curve as gamma is varied.

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.datasets import load_breast_cancer
from sklearn.model_selection import train_test_split
from sklearn.preprocessing import MinMaxScaler
from sklearn.svm import SVC
from sklearn.model_selection import validation_curve


# Load the cancer data
(X_cancer, y_cancer) = load_breast_cancer(return_X_y = True)
scaler = MinMaxScaler()
X_scaled = scaler.fit_transform(X_cancer)

# Create a gamma values from 10^-3 to 10^2 with 20 equally spaced intervals
param_range = np.logspace(-3, 2, 20)
# Compute the validation curve
train_scores, test_scores = validation_curve(SVC(), X_scaled, y_cancer,
                                            param_name='gamma',
                                            param_range=param_range, cv=10)
                                            
#Plot the figure                                           
fig2=plt.figure()

#Compute the mean
train_scores_mean = np.mean(train_scores, axis=1)
train_scores_std = np.std(train_scores, axis=1)
test_scores_mean = np.mean(test_scores, axis=1)
test_scores_std = np.std(test_scores, axis=1)

fig2=plt.title('Validation Curve with SVM')
fig2=plt.xlabel('$\gamma$ (gamma)')
fig2=plt.ylabel('Score')
fig2=plt.ylim(0.0, 1.1)
lw = 2

fig2=plt.semilogx(param_range, train_scores_mean, label='Training score',
            color='darkorange', lw=lw)

fig2=plt.fill_between(param_range, train_scores_mean - train_scores_std,
                train_scores_mean + train_scores_std, alpha=0.2,
                color='darkorange', lw=lw)

fig2=plt.semilogx(param_range, test_scores_mean, label='Cross-validation score',
            color='navy', lw=lw)

fig2=plt.fill_between(param_range, test_scores_mean - test_scores_std,
                test_scores_mean + test_scores_std, alpha=0.2,
                color='navy', lw=lw)
fig2.figure.savefig('fig2.png', bbox_inches='tight')

Output image: 

1.7a Validation Curve (Preventing data leakage) – Python code

In this course Applied Machine Learning in Python, the Professor states that when we apply the same data transformation to a entire dataset, it will cause a data leakage. “The proper way to do cross-validation when you need to scale the data is not to scale the entire dataset with a single transform, since this will indirectly leak information into the training data about the whole dataset, including the test data (see the lecture on data leakage later in the course). Instead, scaling/normalizing must be computed and applied for each cross-validation fold separately”

So I apply separate scaling to the training and testing folds and plot. In the lecture the Prof states that this can be done using pipelines.

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.datasets import load_breast_cancer
from sklearn.cross_validation import  KFold
from sklearn.preprocessing import MinMaxScaler
from sklearn.svm import SVC

# Read the data
(X_cancer, y_cancer) = load_breast_cancer(return_X_y = True)
# Set the parameter range
param_range = np.logspace(-3, 2, 20)

# Set number of folds
folds=5
#Initialize
overallTrainAccuracy=[]
overallTestAccuracy=[]

# Loop over the paramater range
for c in  param_range:
    trainingAccuracy=0
    testAccuracy=0
    kf = KFold(len(X_cancer),n_folds=folds)
    # Partition into training and test folds
    for train_index, test_index in kf:
            # Partition the data acccording the fold indices generated
            X_train, X_test = X_cancer[train_index], X_cancer[test_index]
            y_train, y_test = y_cancer[train_index], y_cancer[test_index]  

            
            # Scale the X_train and X_test 
            scaler = MinMaxScaler()
            X_train_scaled = scaler.fit_transform(X_train)
            X_test_scaled = scaler.transform(X_test)
            # Fit a SVC model for each C
            clf = SVC(C=c).fit(X_train_scaled, y_train)
            #Compute the training and test score
            acctrain=clf.score(X_train_scaled, y_train)
            accTest=clf.score(X_test_scaled, y_test)
            trainingAccuracy += np.sum(acctrain)
            testAccuracy += np.sum(accTest)
    # Compute the mean training and testing accuracy
    overallTrainAccuracy.append(trainingAccuracy/folds)
    overallTestAccuracy.append(testAccuracy/folds)
        

overallTrainAccuracy=pd.DataFrame(overallTrainAccuracy,index=param_range)
overallTestAccuracy=pd.DataFrame(overallTestAccuracy,index=param_range)

# Plot training and test R squared as a function of alpha
df=pd.concat([overallTrainAccuracy,overallTestAccuracy],axis=1)
df.columns=['trainingAccuracy','testAccuracy']


fig3=plt.title('Validation Curve with SVM')
fig3=plt.xlabel('$\gamma$ (gamma)')
fig3=plt.ylabel('Score')
fig3=plt.ylim(0.5, 1.1)
lw = 2

fig3=plt.semilogx(param_range, overallTrainAccuracy, label='Training score',
            color='darkorange', lw=lw)

fig3=plt.semilogx(param_range, overallTestAccuracy, label='Cross-validation score',
            color='navy', lw=lw)

fig3=plt.legend(loc='best')
fig3.figure.savefig('fig3.png', bbox_inches='tight')

Output image: 

1.8 a Decision trees – R code

Decision trees in R can be plotted using RPart package

library(rpart)
library(rpart.plot)
rpart = NULL
# Create a decision tree
m <-rpart(Species~.,data=iris)
#Plot
rpart.plot(m,extra=2,main="Decision Tree - IRIS")

 

1.8 b Decision trees – Python code

from sklearn.datasets import load_iris
from sklearn.tree import DecisionTreeClassifier
from sklearn import tree
from sklearn.model_selection import train_test_split
import graphviz 

iris = load_iris()
X_train, X_test, y_train, y_test = train_test_split(iris.data, iris.target, random_state = 3)
clf = DecisionTreeClassifier().fit(X_train, y_train)

print('Accuracy of Decision Tree classifier on training set: {:.2f}'
     .format(clf.score(X_train, y_train)))
print('Accuracy of Decision Tree classifier on test set: {:.2f}'
     .format(clf.score(X_test, y_test)))

dot_data = tree.export_graphviz(clf, out_file=None, 
                         feature_names=iris.feature_names,  
                         class_names=iris.target_names,  
                         filled=True, rounded=True,  
                         special_characters=True)  
graph = graphviz.Source(dot_data)  
graph
## Accuracy of Decision Tree classifier on training set: 1.00
## Accuracy of Decision Tree classifier on test set: 0.97

1.9a Feature importance – R code

I found the following code which had a snippet for feature importance. Sklean has a nice method for this. For some reason the results in R and Python are different. Any thoughts?

set.seed(3)
# load the library
library(mlbench)
library(caret)
# load the dataset
cancer <- read.csv("cancer.csv")
cancer$target <- as.factor(cancer$target)
# Split as data
data <- cancer[,1:31]
target <- cancer[,32]

# Train the model
model <- train(data, target, method="rf", preProcess="scale", trControl=trainControl(method = "cv"))
# Compute variable importance
importance <- varImp(model)
# summarize importance
print(importance)
# plot importance
plot(importance)

1.9b Feature importance – Python code

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.tree import DecisionTreeClassifier
from sklearn.model_selection import train_test_split
from sklearn.datasets import load_breast_cancer
import numpy as np
# Read the data
cancer= load_breast_cancer()
(X_cancer, y_cancer) = load_breast_cancer(return_X_y = True)
X_train, X_test, y_train, y_test = train_test_split(X_cancer, y_cancer, random_state = 0)
# Use the DecisionTreClassifier
clf = DecisionTreeClassifier(max_depth = 4, min_samples_leaf = 8,
                            random_state = 0).fit(X_train, y_train)

c_features=len(cancer.feature_names)
print('Breast cancer dataset: decision tree')
print('Accuracy of DT classifier on training set: {:.2f}'
     .format(clf.score(X_train, y_train)))
print('Accuracy of DT classifier on test set: {:.2f}'
     .format(clf.score(X_test, y_test)))

# Plot the feature importances
fig4=plt.figure(figsize=(10,6),dpi=80)

fig4=plt.barh(range(c_features), clf.feature_importances_)
fig4=plt.xlabel("Feature importance")
fig4=plt.ylabel("Feature name")
fig4=plt.yticks(np.arange(c_features), cancer.feature_names)
fig4=plt.tight_layout()
plt.savefig('fig4.png', bbox_inches='tight')
## Breast cancer dataset: decision tree
## Accuracy of DT classifier on training set: 0.96
## Accuracy of DT classifier on test set: 0.94

Output image: 

1.10a Precision-Recall, ROC curves & AUC- R code

I tried several R packages for plotting the Precision and Recall and AUC curve. PRROC seems to work well. The Precision-Recall curves show the tradeoff between precision and recall. The higher the precision, the lower the recall and vice versa.AUC curves that hug the top left corner indicate a high sensitivity,specificity and an excellent accuracy.

source("RFunctions-1.R")
library(dplyr)
library(caret)
library(e1071)
library(PRROC)
# Read the data (this data is from sklearn!)
d <- read.csv("digits.csv")
digits <- d[2:66]
digits$X64 <- as.factor(digits$X64)

# Split as training and test sets
train_idx <- trainTestSplit(digits,trainPercent=75,seed=5)
train <- digits[train_idx, ]
test <- digits[-train_idx, ]

# Fit a SVM model with linear basis kernel with probabilities
svmfit=svm(X64~., data=train, kernel="linear",scale=FALSE,probability=TRUE)
ypred=predict(svmfit,test,probability=TRUE)
head(attr(ypred,"probabilities"))
##               0            1
## 6  7.395947e-01 2.604053e-01
## 8  9.999998e-01 1.842555e-07
## 12 1.655178e-05 9.999834e-01
## 13 9.649997e-01 3.500032e-02
## 15 9.994849e-01 5.150612e-04
## 16 9.999987e-01 1.280700e-06
# Store the probability of 0s and 1s
m0<-attr(ypred,"probabilities")[,1]
m1<-attr(ypred,"probabilities")[,2]

# Create a dataframe of scores
scores <- data.frame(m1,test$X64)

# Class 0 is data points of +ve class (in this case, digit 1) and -ve class (digit 0)
#Compute Precision Recall
pr <- pr.curve(scores.class0=scores[scores$test.X64=="1",]$m1,
               scores.class1=scores[scores$test.X64=="0",]$m1,
               curve=T)

# Plot precision-recall curve
plot(pr)

#Plot the ROC curve
roc<-roc.curve(m0, m1,curve=TRUE)
plot(roc)

1.10b Precision-Recall, ROC curves & AUC- Python code

For Python Logistic Regression is used to plot Precision Recall, ROC curve and compute AUC

import numpy as np
import pandas as pd
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.linear_model import LogisticRegression
from sklearn.datasets import load_digits
from sklearn.metrics import precision_recall_curve
from sklearn.metrics import roc_curve, auc
#Load the digits
dataset = load_digits()
X, y = dataset.data, dataset.target
#Create 2 classes -i) Digit 1 (from digit 1) ii) Digit 0 (from all other digits)
# Make a copy of the target
z= y.copy()
# Replace all non 1's as 0
z[z != 1] = 0

X_train, X_test, y_train, y_test = train_test_split(X, z, random_state=0)
# Fit a LR model
lr = LogisticRegression().fit(X_train, y_train)

#Compute the decision scores
y_scores_lr = lr.fit(X_train, y_train).decision_function(X_test)
y_score_list = list(zip(y_test[0:20], y_scores_lr[0:20]))

#Show the decision_function scores for first 20 instances
y_score_list

precision, recall, thresholds = precision_recall_curve(y_test, y_scores_lr)
closest_zero = np.argmin(np.abs(thresholds))
closest_zero_p = precision[closest_zero]
closest_zero_r = recall[closest_zero]
#Plot
plt.figure()
plt.xlim([0.0, 1.01])
plt.ylim([0.0, 1.01])
plt.plot(precision, recall, label='Precision-Recall Curve')
plt.plot(closest_zero_p, closest_zero_r, 'o', markersize = 12, fillstyle = 'none', c='r', mew=3)
plt.xlabel('Precision', fontsize=16)
plt.ylabel('Recall', fontsize=16)
plt.axes().set_aspect('equal')
plt.savefig('fig5.png', bbox_inches='tight')

#Compute and plot the ROC
y_score_lr = lr.fit(X_train, y_train).decision_function(X_test)
fpr_lr, tpr_lr, _ = roc_curve(y_test, y_score_lr)
roc_auc_lr = auc(fpr_lr, tpr_lr)

plt.figure()
plt.xlim([-0.01, 1.00])
plt.ylim([-0.01, 1.01])
plt.plot(fpr_lr, tpr_lr, lw=3, label='LogRegr ROC curve (area = {:0.2f})'.format(roc_auc_lr))
plt.xlabel('False Positive Rate', fontsize=16)
plt.ylabel('True Positive Rate', fontsize=16)
plt.title('ROC curve (1-of-10 digits classifier)', fontsize=16)
plt.legend(loc='lower right', fontsize=13)
plt.plot([0, 1], [0, 1], color='navy', lw=3, linestyle='--')
plt.axes()
plt.savefig('fig6.png', bbox_inches='tight')

output

output

1.10c Precision-Recall, ROC curves & AUC- Python code

In the code below classification probabilities are used to compute and plot precision-recall, roc and AUC

import numpy as np
import pandas as pd
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.datasets import load_digits
from sklearn.svm import LinearSVC
from sklearn.calibration import CalibratedClassifierCV

dataset = load_digits()
X, y = dataset.data, dataset.target
# Make a copy of the target
z= y.copy()
# Replace all non 1's as 0
z[z != 1] = 0


X_train, X_test, y_train, y_test = train_test_split(X, z, random_state=0)
svm = LinearSVC()
# Need to use CalibratedClassifierSVC to redict probabilities for lInearSVC
clf = CalibratedClassifierCV(svm) 
clf.fit(X_train, y_train)
y_proba_lr = clf.predict_proba(X_test)
from sklearn.metrics import precision_recall_curve

precision, recall, thresholds = precision_recall_curve(y_test, y_proba_lr[:,1])
closest_zero = np.argmin(np.abs(thresholds))
closest_zero_p = precision[closest_zero]
closest_zero_r = recall[closest_zero]
#plt.figure(figsize=(15,15),dpi=80)
plt.figure()
plt.xlim([0.0, 1.01])
plt.ylim([0.0, 1.01])
plt.plot(precision, recall, label='Precision-Recall Curve')
plt.plot(closest_zero_p, closest_zero_r, 'o', markersize = 12, fillstyle = 'none', c='r', mew=3)
plt.xlabel('Precision', fontsize=16)
plt.ylabel('Recall', fontsize=16)
plt.axes().set_aspect('equal')
plt.savefig('fig7.png', bbox_inches='tight')

output

Note: As with other posts in this series on ‘Practical Machine Learning with R and Python’,   this post is based on these 2 MOOC courses
1. Statistical Learning, Prof Trevor Hastie & Prof Robert Tibesherani, Online Stanford
2. Applied Machine Learning in Python Prof Kevyn-Collin Thomson, University Of Michigan, Coursera

Conclusion

This 4th part looked at SVMs with linear and radial basis, decision trees, precision-recall tradeoff, ROC curves and AUC.

Stick around for further updates. I’ll be back!
Comments, suggestions and correction are welcome.

Also see
1. A primer on Qubits, Quantum gates and Quantum Operations
2. Dabbling with Wiener filter using OpenCV
3. The mind of a programmer
4. Sea shells on the seashore
5. yorkr pads up for the Twenty20s: Part 1- Analyzing team”s match performance

To see all posts see Index of posts