Python: Deeper Insights into Machine Learning
By John Hearty, David Julian and Sebastian Raschka
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Python - John Hearty
Table of Contents
Python: Deeper Insights into Machine Learning
Python: Deeper Insights into Machine Learning
Credits
Preface
What this learning path covers
What you need for this learning path
Who this learning path is for
Reader feedback
Customer support
Downloading the example code
Errata
Piracy
Questions
1. Module 1
1. Giving Computers the Ability to Learn from Data
Building intelligent machines to transform data into knowledge
The three different types of machine learning
Making predictions about the future with supervised learning
Classification for predicting class labels
Regression for predicting continuous outcomes
Solving interactive problems with reinforcement learning
Discovering hidden structures with unsupervised learning
Finding subgroups with clustering
Dimensionality reduction for data compression
An introduction to the basic terminology and notations
A roadmap for building machine learning systems
Preprocessing – getting data into shape
Training and selecting a predictive model
Evaluating models and predicting unseen data instances
Using Python for machine learning
Installing Python packages
Summary
2. Training Machine Learning Algorithms for Classification
Artificial neurons – a brief glimpse into the early history of machine learning
Implementing a perceptron learning algorithm in Python
Training a perceptron model on the Iris dataset
Adaptive linear neurons and the convergence of learning
Minimizing cost functions with gradient descent
Implementing an Adaptive Linear Neuron in Python
Large scale machine learning and stochastic gradient descent
Summary
3. A Tour of Machine Learning Classifiers Using Scikit-learn
Choosing a classification algorithm
First steps with scikit-learn
Training a perceptron via scikit-learn
Modeling class probabilities via logistic regression
Logistic regression intuition and conditional probabilities
Learning the weights of the logistic cost function
Training a logistic regression model with scikit-learn
Tackling overfitting via regularization
Maximum margin classification with support vector machines
Maximum margin intuition
Dealing with the nonlinearly separable case using slack variables
Alternative implementations in scikit-learn
Solving nonlinear problems using a kernel SVM
Using the kernel trick to find separating hyperplanes in higher dimensional space
Decision tree learning
Maximizing information gain – getting the most bang for the buck
Building a decision tree
Combining weak to strong learners via random forests
K-nearest neighbors – a lazy learning algorithm
Summary
4. Building Good Training Sets – Data Preprocessing
Dealing with missing data
Eliminating samples or features with missing values
Imputing missing values
Understanding the scikit-learn estimator API
Handling categorical data
Mapping ordinal features
Encoding class labels
Performing one-hot encoding on nominal features
Partitioning a dataset in training and test sets
Bringing features onto the same scale
Selecting meaningful features
Sparse solutions with L1 regularization
Sequential feature selection algorithms
Assessing feature importance with random forests
Summary
5. Compressing Data via Dimensionality Reduction
Unsupervised dimensionality reduction via principal component analysis
Total and explained variance
Feature transformation
Principal component analysis in scikit-learn
Supervised data compression via linear discriminant analysis
Computing the scatter matrices
Selecting linear discriminants for the new feature subspace
Projecting samples onto the new feature space
LDA via scikit-learn
Using kernel principal component analysis for nonlinear mappings
Kernel functions and the kernel trick
Implementing a kernel principal component analysis in Python
Example 1 – separating half-moon shapes
Example 2 – separating concentric circles
Projecting new data points
Kernel principal component analysis in scikit-learn
Summary
6. Learning Best Practices for Model Evaluation and Hyperparameter Tuning
Streamlining workflows with pipelines
Loading the Breast Cancer Wisconsin dataset
Combining transformers and estimators in a pipeline
Using k-fold cross-validation to assess model performance
The holdout method
K-fold cross-validation
Debugging algorithms with learning and validation curves
Diagnosing bias and variance problems with learning curves
Addressing overfitting and underfitting with validation curves
Fine-tuning machine learning models via grid search
Tuning hyperparameters via grid search
Algorithm selection with nested cross-validation
Looking at different performance evaluation metrics
Reading a confusion matrix
Optimizing the precision and recall of a classification model
Plotting a receiver operating characteristic
The scoring metrics for multiclass classification
Summary
7. Combining Different Models for Ensemble Learning
Learning with ensembles
Implementing a simple majority vote classifier
Combining different algorithms for classification with majority vote
Evaluating and tuning the ensemble classifier
Bagging – building an ensemble of classifiers from bootstrap samples
Leveraging weak learners via adaptive boosting
Summary
8. Applying Machine Learning to Sentiment Analysis
Obtaining the IMDb movie review dataset
Introducing the bag-of-words model
Transforming words into feature vectors
Assessing word relevancy via term frequency-inverse document frequency
Cleaning text data
Processing documents into tokens
Training a logistic regression model for document classification
Working with bigger data – online algorithms and out-of-core learning
Summary
9. Embedding a Machine Learning Model into a Web Application
Serializing fitted scikit-learn estimators
Setting up a SQLite database for data storage
Developing a web application with Flask
Our first Flask web application
Form validation and rendering
Turning the movie classifier into a web application
Deploying the web application to a public server
Updating the movie review classifier
Summary
10. Predicting Continuous Target Variables with Regression Analysis
Introducing a simple linear regression model
Exploring the Housing Dataset
Visualizing the important characteristics of a dataset
Implementing an ordinary least squares linear regression model
Solving regression for regression parameters with gradient descent
Estimating the coefficient of a regression model via scikit-learn
Fitting a robust regression model using RANSAC
Evaluating the performance of linear regression models
Using regularized methods for regression
Turning a linear regression model into a curve – polynomial regression
Modeling nonlinear relationships in the Housing Dataset
Dealing with nonlinear relationships using random forests
Decision tree regression
Random forest regression
Summary
11. Working with Unlabeled Data – Clustering Analysis
Grouping objects by similarity using k-means
K-means++
Hard versus soft clustering
Using the elbow method to find the optimal number of clusters
Quantifying the quality of clustering via silhouette plots
Organizing clusters as a hierarchical tree
Performing hierarchical clustering on a distance matrix
Attaching dendrograms to a heat map
Applying agglomerative clustering via scikit-learn
Locating regions of high density via DBSCAN
Summary
12. Training Artificial Neural Networks for Image Recognition
Modeling complex functions with artificial neural networks
Single-layer neural network recap
Introducing the multi-layer neural network architecture
Activating a neural network via forward propagation
Classifying handwritten digits
Obtaining the MNIST dataset
Implementing a multi-layer perceptron
Training an artificial neural network
Computing the logistic cost function
Training neural networks via backpropagation
Developing your intuition for backpropagation
Debugging neural networks with gradient checking
Convergence in neural networks
Other neural network architectures
Convolutional Neural Networks
Recurrent Neural Networks
A few last words about neural network implementation
Summary
13. Parallelizing Neural Network Training with Theano
Building, compiling, and running expressions with Theano
What is Theano?
First steps with Theano
Configuring Theano
Working with array structures
Wrapping things up – a linear regression example
Choosing activation functions for feedforward neural networks
Logistic function recap
Estimating probabilities in multi-class classification via the softmax function
Broadening the output spectrum by using a hyperbolic tangent
Training neural networks efficiently using Keras
Summary
2. Module 2
1. Thinking in Machine Learning
The human interface
Design principles
Types of questions
Are you asking the right question?
Tasks
Classification
Regression
Clustering
Dimensionality reduction
Errors
Optimization
Linear programming
Models
Geometric models
Probabilistic models
Logical models
Features
Unified modeling language
Class diagrams
Object diagrams
Activity diagrams
State diagrams
Summary
2. Tools and Techniques
Python for machine learning
IPython console
Installing the SciPy stack
NumPY
Constructing and transforming arrays
Mathematical operations
Matplotlib
Pandas
SciPy
Scikit-learn
Summary
3. Turning Data into Information
What is data?
Big data
Challenges of big data
Data volume
Data velocity
Data variety
Data models
Data distributions
Data from databases
Data from the Web
Data from natural language
Data from images
Data from application programming interfaces
Signals
Data from sound
Cleaning data
Visualizing data
Summary
4. Models – Learning from Information
Logical models
Generality ordering
Version space
Coverage space
PAC learning and computational complexity
Tree models
Purity
Rule models
The ordered list approach
Set-based rule models
Summary
5. Linear Models
Introducing least squares
Gradient descent
The normal equation
Logistic regression
The Cost function for logistic regression
Multiclass classification
Regularization
Summary
6. Neural Networks
Getting started with neural networks
Logistic units
Cost function
Minimizing the cost function
Implementing a neural network
Gradient checking
Other neural net architectures
Summary
7. Features – How Algorithms See the World
Feature types
Quantitative features
Ordinal features
Categorical features
Operations and statistics
Structured features
Transforming features
Discretization
Normalization
Calibration
Principle component analysis
Summary
8. Learning with Ensembles
Ensemble types
Bagging
Random forests
Extra trees
Boosting
Adaboost
Gradient boosting
Ensemble strategies
Other methods
Summary
9. Design Strategies and Case Studies
Evaluating model performance
Model selection
Gridsearch
Learning curves
Real-world case studies
Building a recommender system
Content-based filtering
Collaborative filtering
Reviewing the case study
Insect detection in greenhouses
Reviewing the case study
Machine learning at a glance
Summary
3. Module 3
1. Unsupervised Machine Learning
Principal component analysis
PCA – a primer
Employing PCA
Introducing k-means clustering
Clustering – a primer
Kick-starting clustering analysis
Tuning your clustering configurations
Self-organizing maps
SOM – a primer
Employing SOM
Further reading
Summary
2. Deep Belief Networks
Neural networks – a primer
The composition of a neural network
Network topologies
Restricted Boltzmann Machine
Introducing the RBM
Topology
Training
Applications of the RBM
Further applications of the RBM
Deep belief networks
Training a DBN
Applying the DBN
Validating the DBN
Further reading
Summary
3. Stacked Denoising Autoencoders
Autoencoders
Introducing the autoencoder
Topology
Training
Denoising autoencoders
Applying a dA
Stacked Denoising Autoencoders
Applying the SdA
Assessing SdA performance
Further reading
Summary
4. Convolutional Neural Networks
Introducing the CNN
Understanding the convnet topology
Understanding convolution layers
Understanding pooling layers
Training a convnet
Putting it all together
Applying a CNN
Further Reading
Summary
5. Semi-Supervised Learning
Introduction
Understanding semi-supervised learning
Semi-supervised algorithms in action
Self-training
Implementing self-training
Finessing your self-training implementation
Improving the selection process
Contrastive Pessimistic Likelihood Estimation
Further reading
Summary
6. Text Feature Engineering
Introduction
Text feature engineering
Cleaning text data
Text cleaning with BeautifulSoup
Managing punctuation and tokenizing
Tagging and categorising words
Tagging with NLTK
Sequential tagging
Backoff tagging
Creating features from text data
Stemming
Bagging and random forests
Testing our prepared data
Further reading
Summary
7. Feature Engineering Part II
Introduction
Creating a feature set
Engineering features for ML applications
Using rescaling techniques to improve the learnability of features
Creating effective derived variables
Reinterpreting non-numeric features
Using feature selection techniques
Performing feature selection
Correlation
LASSO
Recursive Feature Elimination
Genetic models
Feature engineering in practice
Acquiring data via RESTful APIs
Testing the performance of our model
Translink Twitter
Consumer comments
The Bing Traffic API
Deriving and selecting variables using feature engineering techniques
The weather API
Further reading
Summary
8. Ensemble Methods
Introducing ensembles
Understanding averaging ensembles
Using bagging algorithms
Using random forests
Applying boosting methods
Using XGBoost
Using stacking ensembles
Applying ensembles in practice
Using models in dynamic applications
Understanding model robustness
Identifying modeling risk factors
Strategies to managing model robustness
Further reading
Summary
9. Additional Python Machine Learning Tools
Alternative development tools
Introduction to Lasagne
Getting to know Lasagne
Introduction to TensorFlow
Getting to know TensorFlow
Using TensorFlow to iteratively improve our models
Knowing when to use these libraries
Further reading
Summary
10. Chapter Code Requirements
A. Biblography
Index
Python: Deeper Insights into Machine Learning
Python: Deeper Insights into Machine Learning
Leverage benefits of machine learning techniques using Python
A course in three modules
BIRMINGHAM - MUMBAI
Python: Deeper Insights into Machine Learning
Copyright © 2016 Packt Publishing
All rights reserved. No part of this course may be reproduced, stored in a retrieval system, or transmitted in any form or by any means, without the prior written permission of the publisher, except in the case of brief quotations embedded in critical articles or reviews.
Every effort has been made in the preparation of this course to ensure the accuracy of the information presented. However, the information contained in this course is sold without warranty, either express or implied. Neither the authors, nor Packt Publishing, and its dealers and distributors will be held liable for any damages caused or alleged to be caused directly or indirectly by this course.
Packt Publishing has endeavored to provide trademark information about all of the companies and products mentioned in this course by the appropriate use of capitals. However, Packt Publishing cannot guarantee the accuracy of this information.
Published on: August 2016
Published by Packt Publishing Ltd.
Livery Place
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Birmingham B3 2PB, UK.
ISBN 978-1-78712-857-6
www.packtpub.com
Credits
Authors
Sebastian Raschka
David Julian
John Hearty
Reviewers
Richard Dutton
Dave Julian
Vahid Mirjalili
Hamidreza Sattari
Dmytro Taranovsky
Dr. Vahid Mirjalili
Jared Huffman
Ashwin Pajankar
Content Development Editor
Amrita Noronha
Production Coordinator
Arvindkumar Gupta
Preface
Machine learning and predictive analytics are becoming one of the key strategies for unlocking growth in a challenging contemporary marketplace .It is one of the fastest growing trends in modern computing and everyone wants to get into the field of machine learning. In order to obtain sufficient recognition in this field, one must be able to understand and design a machine learning system that serves the needs of a project. The idea is to prepare a Learning Path that will help you to tackle the real-world complexities of modern machine learning with innovative and cutting-edge techniques. Also, it will give you a solid foundation in the machine learning design process, and enable you to build customized machine learning models to solve unique problems
What this learning path covers
Module 1, Python Machine Learning, discusses the essential machine algorithms for classification and provides practical examples using scikit-learn. It teaches you to prepare variables of different types and also speaks about polynomial regression and tree-based approaches. This module focuses on open source Python library that allows us to utilize multiple cores of modern GPUs.
Module 2, Designing Machine Learning Systems with Python, acquaints you with large library of packages for machine learning tasks. It introduces broad topics such as big data, data properties, data sources, and data processing .You will further explore models that form the foundation of many advanced nonlinear techniques. This module will help you in understanding model selection and parameter tuning techniques that could help in various case studies.
Module 3, Advanced Machine Learning with Python, helps you to build your skill with deep architectures by using stacked denoising autoencoders. This module is a blend of semi-supervised learning techniques, RBM and DBN algorithms .Further this focuses on tools and techniques which will help in making consistent working process.
What you need for this learning path
Module 1, Python Machine Learning will require an installation of Python 3.4.3 or newer on Mac OS X, Linux or Microsoft Windows. Use of Python essential libraries like SciPy, NumPy, scikit-Learn, matplotlib, and pandas. is essential.
Before you start, Please refer:
The direct link to the Iris dataset would be: https://raw.githubusercontent.com/rasbt/python-machine-learning-book/master/code/datasets/iris/iris.data
We've added some additional notes to the code notebooks mentioning the offline datasets in case there are server errors. https://www.dropbox.com/sh/tq2qdh0oqfgsktq/AADIt7esnbiWLOQODn5q_7Dta?dl=0
Module 2, Designing Machine Learning Systems with Python, will need an inclination to learn machine learning and the Python V3 software, which you can download from https://www.python.org/downloads/.
Module 3, Advanced Machine Learning with Python, leverages openly available data and code, including open source Python libraries and frameworks.
Who this learning path is for
This title is for Data scientist and researchers who are already into the field of Data Science and want to see Machine learning in action and explore its real-world application. Prior knowledge of Python programming and mathematics is must with basic knowledge of machine learning concepts.
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Part 1. Module 1
Python Machine Learning
Leverage benefits of machine learning techniques using Python
Chapter 1. Giving Computers the Ability to Learn from Data
In my opinion, machine learning, the application and science of algorithms that makes sense of data, is the most exciting field of all the computer sciences! We are living in an age where data comes in abundance; using the self-learning algorithms from the field of machine learning, we can turn this data into knowledge. Thanks to the many powerful open source libraries that have been developed in recent years, there has probably never been a better time to break into the machine learning field and learn how to utilize powerful algorithms to spot patterns in data and make predictions about future events.
In this chapter, we will learn about the main concepts and different types of machine learning. Together with a basic introduction to the relevant terminology, we will lay the groundwork for successfully using machine learning techniques for practical problem solving.
In this chapter, we will cover the following topics:
The general concepts of machine learning
The three types of learning and basic terminology
The building blocks for successfully designing machine learning systems
Installing and setting up Python for data analysis and machine learning
Building intelligent machines to transform data into knowledge
In this age of modern technology, there is one resource that we have in abundance: a large amount of structured and unstructured data. In the second half of the twentieth century, machine learning evolved as a subfield of artificial intelligence that involved the development of self-learning algorithms to gain knowledge from that data in order to make predictions. Instead of requiring humans to manually derive rules and build models from analyzing large amounts of data, machine learning offers a more efficient alternative for capturing the knowledge in data to gradually improve the performance of predictive models, and make data-driven decisions. Not only is machine learning becoming increasingly important in computer science research but it also plays an ever greater role in our everyday life. Thanks to machine learning, we enjoy robust e-mail spam filters, convenient text and voice recognition software, reliable Web search engines, challenging chess players, and, hopefully soon, safe and efficient self-driving cars.
The three different types of machine learning
In this section, we will take a look at the three types of machine learning: supervised learning, unsupervised learning, and reinforcement learning. We will learn about the fundamental differences between the three different learning types and, using conceptual examples, we will develop an intuition for the practical problem domains where these can be applied:
Making predictions about the future with supervised learning
The main goal in supervised learning is to learn a model from labeled training data that allows us to make predictions about unseen or future data. Here, the term supervised refers to a set of samples where the desired output signals (labels) are already known.
Considering the example of e-mail spam filtering, we can train a model using a supervised machine learning algorithm on a corpus of labeled e-mail, e-mail that are correctly marked as spam or not-spam, to predict whether a new e-mail belongs to either of the two categories. A supervised learning task with discrete class labels, such as in the previous e-mail spam-filtering example, is also called a classification task. Another subcategory of supervised learning is regression, where the outcome signal is a continuous value:
Classification for predicting class labels
Classification is a subcategory of supervised learning where the goal is to predict the categorical class labels of new instances based on past observations. Those class labels are discrete, unordered values that can be understood as the group memberships of the instances. The previously mentioned example of e-mail-spam detection represents a typical example of a binary classification task, where the machine learning algorithm learns a set of rules in order to distinguish between two possible classes: spam and non-spam e-mail.
However, the set of class labels does not have to be of a binary nature. The predictive model learned by a supervised learning algorithm can assign any class label that was presented in the training dataset to a new, unlabeled instance. A typical example of a multi-class classification task is handwritten character recognition. Here, we could collect a training dataset that consists of multiple handwritten examples of each letter in the alphabet. Now, if a user provides a new handwritten character via an input device, our predictive model will be able to predict the correct letter in the alphabet with certain accuracy. However, our machine learning system would be unable to correctly recognize any of the digits zero to nine, for example, if they were not part of our training dataset.
The following figure illustrates the concept of a binary classification task given 30 training samples: 15 training samples are labeled as negative class (circles) and 15 training samples are labeled as positive class (plus signs). In this scenario, our dataset is two-dimensional, which means that each sample has two values associated with it: and . Now, we can use a supervised machine learning algorithm to learn a rule—the decision boundary represented as a black dashed line—that can separate those two classes and classify new data into each of those two categories given its and values:
Regression for predicting continuous outcomes
We learned in the previous section that the task of classification is to assign categorical, unordered labels to instances. A second type of supervised learning is the prediction of continuous outcomes, which is also called regression analysis. In regression analysis, we are given a number of predictor (explanatory) variables and a continuous response variable (outcome), and we try to find a relationship between those variables that allows us to predict an outcome.
For example, let's assume that we are interested in predicting the Math SAT scores of our students. If there is a relationship between the time spent studying for the test and the final scores, we could use it as training data to learn a model that uses the study time to predict the test scores of future students who are planning to take this test.
Note
The term regression was devised by Francis Galton in his article Regression Towards Mediocrity in Hereditary Stature in 1886. Galton described the biological phenomenon that the variance of height in a population does not increase over time. He observed that the height of parents is not passed on to their children but the children's height is regressing towards the population mean.
The following figure illustrates the concept of linear regression. Given a predictor variable x and a response variable y, we fit a straight line to this data that minimizes the distance—most commonly the average squared distance—between the sample points and the fitted line. We can now use the intercept and slope learned from this data to predict the outcome variable of new data:
Solving interactive problems with reinforcement learning
Another type of machine learning is reinforcement learning. In reinforcement learning, the goal is to develop a system (agent) that improves its performance based on interactions with the environment. Since the information about the current state of the environment typically also includes a so-called reward signal, we can think of reinforcement learning as a field related to supervised learning. However, in reinforcement learning this feedback is not the correct ground truth label or value, but a measure of how well the action was measured by a reward function. Through the interaction with the environment, an agent can then use reinforcement learning to learn a series of actions that maximizes this reward via an exploratory trial-and-error approach or deliberative planning.
A popular example of reinforcement learning is a chess engine. Here, the agent decides upon a series of moves depending on the state of the board (the environment), and the reward can be defined as win or lose at the end of the game:
Discovering hidden structures with unsupervised learning
In supervised learning, we know the right answer beforehand when we train our model, and in reinforcement learning, we define a measure of reward for particular actions by the agent. In unsupervised learning, however, we are dealing with unlabeled data or data of unknown structure. Using unsupervised learning techniques, we are able to explore the structure of our data to extract meaningful information without the guidance of a known outcome variable or reward function.
Finding subgroups with clustering
Clustering is an exploratory data analysis technique that allows us to organize a pile of information into meaningful subgroups (clusters) without having any prior knowledge of their group memberships. Each cluster that may arise during the analysis defines a group of objects that share a certain degree of similarity but are more dissimilar to objects in other clusters, which is why clustering is also sometimes called unsupervised classification.
Clustering is a great technique for structuring information and deriving meaningful relationships among data, For example, it allows marketers to discover customer groups based on their interests in order to develop distinct marketing programs.
The figure below illustrates how clustering can be applied to organizing unlabeled data into three distinct groups based on the similarity of their features and :
Dimensionality reduction for data compression
Another subfield of unsupervised learning is dimensionality reduction. Often we are working with data of high dimensionality—each observation comes with a high number of measurements—that can present a challenge for limited storage space and the computational performance of machine learning algorithms. Unsupervised dimensionality reduction is a commonly used approach in feature preprocessing to remove noise from data, which can also degrade the predictive performance of certain algorithms, and compress the data onto a smaller dimensional subspace while retaining most of the relevant information.
Sometimes, dimensionality reduction can also be useful for visualizing data—for example, a high-dimensional feature set can be projected onto one-, two-, or three-dimensional feature spaces in order to visualize it via 3D- or 2D-scatterplots or histograms. The figure below shows an example where non-linear dimensionality reduction was applied to compress a 3D Swiss Roll onto a new 2D feature subspace:
An introduction to the basic terminology and notations
Now that we have discussed the three broad categories of machine learning—supervised, unsupervised, and reinforcement learning—let us have a look at the basic terminology that we will be using in the next chapters. The following table depicts an excerpt of the Iris dataset, which is a classic example in the field of machine learning. The Iris dataset contains the measurements of 150 iris flowers from three different species: Setosa, Versicolor, and Virginica. Please check if this is replaced. Here, each flower sample represents one row in our data set, and the flower measurements in centimeters are stored as columns, which we also call the features of the dataset:
To keep the notation and implementation simple yet efficient, we will make use of some of the basics of linear algebra. In the following chapters, we will use a matrix and vector notation to refer to our data. We will follow the common convention to represent each sample as separate row in a feature matrix , where each feature is stored as a separate column.
The Iris dataset, consisting of 150 samples and 4 features, can then be written as a matrix :
Note
For the rest of this book, we will use the superscript (i) to refer to the ith training sample, and the subscript j to refer to the jth dimension of the training dataset.
We use lower-case, bold-face letters to refer to vectors and upper-case, bold-face letters to refer to matrices, respectively ). To refer to single elements in a vector or matrix, we write the letters in italics or , respectively).
For example, refers to the first dimension of flower sample 150, the sepal width. Thus, each row in this feature matrix represents one flower instance and can be written as four-dimensional column vector ,
.
Each feature dimension is a 150-dimensional row vector , for example:
.
Similarly, we store the target variables (here: class labels) as a 150-dimensional column vector
.
A roadmap for building machine learning systems
In the previous sections, we discussed the basic concepts of machine learning and the three different types of learning. In this section, we will discuss other important parts of a machine learning system accompanying the learning algorithm. The diagram below shows a typical workflow diagram for using machine learning in predictive modeling, which we will discuss in the following subsections:
Preprocessing – getting data into shape
Raw data rarely comes in the form and shape that is necessary for the optimal performance of a learning algorithm. Thus, the preprocessing of the data is one of the most crucial steps in any machine learning application. If we take the Iris flower dataset from the previous section as an example, we could think of the raw data as a series of flower images from which we want to extract meaningful features. Useful features could be the color, the hue, the intensity of the flowers, the height, and the flower lengths and widths. Many machine learning algorithms also require that the selected features are on the same scale for optimal performance, which is often achieved by transforming the features in the range [0, 1] or a standard normal distribution with zero mean and unit variance, as we will see in the later chapters.
Some of the selected features may be highly correlated and therefore redundant to a certain degree. In those cases, dimensionality reduction techniques are useful for compressing the features onto a lower dimensional subspace. Reducing the dimensionality of our feature space has the advantage that less storage space is required, and the learning algorithm can run much faster.
To determine whether our machine learning algorithm not only performs well on the training set but also generalizes well to new data, we also want to randomly divide the dataset into a separate training and test set. We use the training set to train and optimize our machine learning model, while we keep the test set until the very end to evaluate the final model.
Training and selecting a predictive model
As we will see in later chapters, many different machine learning algorithms have been developed to solve different problem tasks. An important point that can be summarized from David Wolpert's famous No Free Lunch Theorems is that we can't get learning for free
(The Lack of A Priori Distinctions Between Learning Algorithms, D.H. Wolpert 1996; No Free Lunch Theorems for Optimization, D.H. Wolpert and W.G. Macready, 1997). Intuitively, we can relate this concept to the popular saying, "I suppose it is tempting, if the only tool you have is a hammer, to treat everything as if it were a nail" (Abraham Maslow, 1966). For example, each classification algorithm has its inherent biases, and no single classification model enjoys superiority if we don't make any assumptions about the task. In practice, it is therefore essential to compare at least a handful of different algorithms in order to train and select the best performing model. But before we can compare different models, we first have to decide upon a metric to measure performance. One commonly used metric is classification accuracy, which is defined as the proportion of correctly classified instances.
One legitimate question to ask is: how do we know which model performs well on the final test dataset and real-world data if we don't use this test set for the model selection but keep it for the final model evaluation? In order to address the issue embedded in this question, different cross-validation techniques can be used where the training dataset is further divided into training and validation subsets in order to estimate the generalization performance of the model. Finally, we also cannot expect that the default parameters of the different learning algorithms provided by software libraries are optimal for our specific problem task. Therefore, we will make frequent use of hyperparameter optimization techniques that help us to fine-tune the performance of our model in later chapters. Intuitively, we can think of those hyperparameters as parameters that are not learned from the data but represent the knobs of a model that we can turn to improve its performance, which will become much clearer in later chapters when we see actual examples.
Evaluating models and predicting unseen data instances
After we have selected a model that has been fitted on the training dataset, we can use the test dataset to estimate how well it performs on this unseen data to estimate the generalization error. If we are satisfied with its performance, we can now use this model to predict new, future data. It is important to note that the parameters for the previously mentioned procedures—such as feature scaling and dimensionality reduction—are solely obtained from the training dataset, and the same parameters are later re-applied to transform the test dataset, as well as any new data samples—the performance measured on the test data may be overoptimistic otherwise.
Using Python for machine learning
Python is one of the most popular programming languages for data science and therefore enjoys a large number of useful add-on libraries developed by its great community.
Although the performance of interpreted languages, such as Python, for computation-intensive tasks is inferior to lower-level programming languages, extension libraries such as NumPy and SciPy have been developed that build upon lower layer Fortran and C implementations for fast and vectorized operations on multidimensional arrays.
For machine learning programming tasks, we will mostly refer to the scikit-learn library, which is one of the most popular and accessible open source machine learning libraries as of today.
Installing Python packages
Python is available for all three major operating systems—Microsoft Windows, Mac OS X, and Linux—and the installer, as well as the documentation, can be downloaded from the official Python website: https://www.python.org.
This book is written for Python version >= 3.4.3, and it is recommended you use the most recent version of Python 3 that is currently available, although most of the code examples may also be compatible with Python >= 2.7.10. If you decide to use Python 2.7 to execute the code examples, please make sure that you know about the major differences between the two Python versions. A good summary about the differences between Python 3.4 and 2.7 can be found at https://wiki.python.org/moin/Python2orPython3.
The additional packages that we will be using throughout this book can be installed via the pip installer program, which has been part of the Python standard library since Python 3.3. More information about pip can be found at https://docs.python.org/3/installing/index.html.
After we have successfully installed Python, we can execute pip from the command line terminal to install additional Python packages:
pip install SomePackage
Already installed packages can be updated via the --upgrade flag:
pip install SomePackage --upgrade
A highly recommended alternative Python distribution for scientific computing is Anaconda by Continuum Analytics. Anaconda is a free—including commercial use—enterprise-ready Python distribution that bundles all the essential Python packages for data science, math, and engineering in one user-friendly cross-platform distribution. The Anaconda installer can be downloaded at http://continuum.io/downloads#py34, and an Anaconda quick start-guide is available at https://store.continuum.io/static/img/Anaconda-Quickstart.pdf.
After successfully installing Anaconda, we can install new Python packages using the following command:
conda install SomePackage
Existing packages can be updated using the following command:
conda update SomePackage
Throughout this book, we will mainly use NumPy's multi-dimensional arrays to store and manipulate data. Occasionally, we will make use of pandas, which is a library built on top of NumPy that provides additional higher level data manipulation tools that make working with tabular data even more convenient. To augment our learning experience and visualize quantitative data, which is often extremely useful to intuitively make sense of it, we will use the very customizable matplotlib library.
The version numbers of the major Python packages that were used for writing this book are listed below. Please make sure that the version numbers of your installed packages are equal to, or greater than, those version numbers to ensure the code examples run correctly:
NumPy 1.9.1
SciPy 0.14.0
scikit-learn 0.15.2
matplotlib 1.4.0
pandas 0.15.2
Summary
In this chapter, we explored machine learning on a very high level and familiarized ourselves with the big picture and major concepts that we are going to explore in the next chapters in more detail.
We learned that supervised learning is composed of two important subfields: classification and regression. While classification models allow us to categorize objects into known classes, we can use regression analysis to predict the continuous outcomes of target variables. Unsupervised learning not only offers useful techniques for discovering structures in unlabeled data, but it can also be useful for data compression in feature preprocessing steps.
We briefly went over the typical roadmap for applying machine learning to problem tasks, which we will use as a foundation for deeper discussions and hands-on examples in the following chapters. Eventually, we set up our Python environment and installed and updated the required packages to get ready to see machine-learning in action.
In the following chapter, we will implement one of the earliest machine learning algorithms for classification that will prepare us for Chapter 3, A Tour of Machine Learning Classifiers Using Scikit-learn, where we cover more advanced machine learning algorithms using the scikit-learn open source machine learning library. Since machine learning algorithms learn from data, it is critical that we feed them useful information, and in Chapter 4, Building Good Training Sets—Data Preprocessing we will take a look at important data preprocessing techniques. In Chapter 5, Compressing Data via Dimensionality Reduction, we will learn about dimensionality reduction techniques that can help us to compress our dataset onto a lower-dimensional feature subspace, which can be beneficial for computational efficiency. An important aspect of building machine learning models is to evaluate their performance and to estimate how well they can make predictions on new, unseen data. In Chapter 6, Learning Best Practices for Model Evaluation and Hyperparameter Tuning we will learn all about the best practices for model tuning and evaluation. In certain scenarios, we still may not be satisfied with the performance of our predictive model although we may have spent hours or days extensively tuning and testing. In Chapter 7, Combining Different Models for Ensemble Learning we will learn how to combine different machine learning models to build even more powerful predictive systems.
After we covered all of the important concepts of a typical machine learning pipeline, we will implement a model for predicting emotions in text in Chapter 8, Applying Machine Learning to Sentiment Analysis, and in Chapter 9, Embedding a Machine Learning Model into a Web Application, we will embed it into a Web application to share it with the world. In Chapter 10, Predicting Continuous Target Variables with Regression Analysis we will then use machine learning algorithms for regression analysis that allow us to predict continuous output variables, and in Chapter 11, Working with Unlabelled Data – Clustering Analysis we will apply clustering algorithms that will allow us to find hidden structures in data. The last chapter in this book will cover artificial neural networks that will allow us to tackle complex problems, such as image and speech recognition, which is currently one of the hottest topics in machine-learning research.
Chapter 2. Training Machine Learning Algorithms for Classification
In this chapter, we will make use of one of the first algorithmically described machine learning algorithms for classification, the perceptron and adaptive linear neurons. We will start by implementing a perceptron step by step in Python and training it to classify different flower species in the Iris dataset. This will help us to understand the concept of machine learning algorithms for classification and how they can be efficiently implemented in Python. Discussing the basics of optimization using adaptive linear neurons will then lay the groundwork for using more powerful classifiers via the scikit-learn machine-learning library in Chapter 3, A Tour of Machine Learning Classifiers Using Scikit-learn.
The topics that we will cover in this chapter are as follows:
Building an intuition for machine learning algorithms
Using pandas, NumPy, and matplotlib to read in, process, and visualize data
Implementing linear classification algorithms in Python
Artificial neurons – a brief glimpse into the early history of machine learning
Before we discuss the perceptron and related algorithms in more detail, let us take a brief tour through the early beginnings of machine learning. Trying to understand how the biological brain works to design artificial intelligence, Warren McCullock and Walter Pitts published the first concept of a simplified brain cell, the so-called McCullock-Pitts (MCP) neuron, in 1943 (W. S. McCulloch and W. Pitts. A Logical Calculus of the Ideas Immanent in Nervous Activity. The bulletin of mathematical biophysics, 5(4):115–133, 1943). Neurons are interconnected nerve cells in the brain that are involved in the processing and transmitting of chemical and electrical signals, which is illustrated in the following figure:
McCullock and Pitts described such a nerve cell as a simple logic gate with binary outputs; multiple signals arrive at the dendrites, are then integrated into the cell body, and, if the accumulated signal exceeds a certain threshold, an output signal is generated that will be passed on by the axon.
Only a few years later, Frank Rosenblatt published the first concept of the perceptron learning rule based on the MCP neuron model (F. Rosenblatt, The Perceptron, a Perceiving and Recognizing Automaton. Cornell Aeronautical Laboratory, 1957). With his perceptron rule, Rosenblatt proposed an algorithm that would automatically learn the optimal weight coefficients that are then multiplied with the input features in order to make the decision of whether a neuron fires or not. In the context of supervised learning and classification, such an algorithm could then be used to predict if a sample belonged to one class or the other.
More formally, we can pose this problem as a binary classification task where we refer to our two classes as 1 (positive class) and -1 (negative class) for simplicity. We can then define an activation function that takes a linear combination of certain input values and a corresponding weight vector , where is the so-called net input ( ):
Now, if the activation of a particular sample , that is, the output of , is greater than a defined threshold , we predict class 1 and class -1, otherwise, in the perceptron algorithm, the activation function is a simple unit step function, which is sometimes also called the Heaviside step function:
For simplicity, we can bring the threshold to the left side of the equation and define a weight-zero as and , so that we write in a more compact form
and .
Note
In the following sections, we will often make use of basic notations from linear algebra. For example, we will abbreviate the sum of the products of the values in and using a vector dot product, whereas superscript T stands for transpose, which is an operation that transforms a column vector into a row vector and vice versa:
For example:
.
Furthermore, the transpose operation can also be applied to a matrix to reflect it over its diagonal, for example:
In this book, we will only use the very basic concepts from linear algebra. However, if you need a quick refresher, please take a look at Zico Kolter's excellent Linear Algebra Review and Reference, which is freely available at http://www.cs.cmu.edu/~zkolter/course/linalg/linalg_notes.pdf.
The following figure illustrates how the net input is squashed into a binary output (-1 or 1) by the activation function of the perceptron (left subfigure) and how it can be used to discriminate between two linearly separable classes (right subfigure):
The whole idea behind the MCP neuron and Rosenblatt's thresholded perceptron model is to use a reductionist approach to mimic how a single neuron in the brain works: it either fires or it doesn't. Thus, Rosenblatt's initial perceptron rule is fairly simple and can be summarized by the following steps:
Initialize the weights to 0 or small random numbers.
For each training sample perform the following steps:
Compute the output value .
Update the weights.
Here, the output value is the class label predicted by the unit step function that we defined earlier, and the simultaneous update of each weight in the weight vector can be more formally written as:
.
The value of , which is used to update the weight , is calculated by the perceptron learning rule:
Where is the learning rate (a constant between 0.0 and 1.0), is the true class label of the th training sample, and is the predicted class label. It is important to note that all weights in the weight vector are being updated simultaneously, which means that we don't recompute the before all of the weights were updated. Concretely, for a 2D dataset, we would write the update as follows:
Before we implement the perceptron rule in Python, let us make a simple thought experiment to illustrate how beautifully simple this learning rule really is. In the two scenarios where the perceptron predicts the class label correctly, the weights remain unchanged:
However, in the case of a wrong prediction, the weights are being pushed towards the direction of the positive or negative target class, respectively:
To get a better intuition for the multiplicative factor , let us go through another simple example, where:
Let's assume that , and we misclassify this sample as -1. In this case, we would increase the corresponding weight by 1 so that the activation will be more positive the next time we encounter this sample and thus will be more likely to be above the threshold of the unit step function to classify the sample as +1:
The weight update is proportional to the value of . For example, if we have another sample that is incorrectly classified as -1, we'd push the decision boundary by an even larger extend to classify this sample correctly the next time:
It is important to note that the convergence of the perceptron is only guaranteed if the two classes are linearly separable and the learning rate is sufficiently small. If the two classes can't be separated by a linear decision boundary, we can set a maximum number of passes over the training dataset (epochs) and/or a threshold for the number of tolerated misclassifications—the perceptron would never stop updating the weights otherwise:
Tip
Downloading the example code
You can download the example code files from your account at http://www.packtpub.com for all the Packt Publishing books you have purchased. If you purchased this book elsewhere, you can visit http://www.packtpub.com/support and register to have the files e-mailed directly to you.
Now, before we jump into the implementation in the next section, let us summarize what we just learned in a simple figure that illustrates the general concept of the perceptron:
The preceding figure illustrates how the perceptron receives the inputs of a sample and combines them with the weights to compute the net input. The net input is then passed on to the activation function (here: the unit step function), which generates a binary output -1 or +1—the predicted class label of the sample. During the learning phase, this output is used to calculate the error of the prediction and update the weights.
Implementing a perceptron learning algorithm in Python
In the previous section, we learned how Rosenblatt's perceptron rule works; let us now go ahead and implement it in Python and apply it to the Iris dataset that we introduced in Chapter 1, Giving Computers the Ability to Learn from Data. We will take an objected-oriented approach to define the perceptron interface as a Python Class, which allows us to initialize new perceptron objects that can learn from data via a fit method, and make predictions via a separate predict method. As a convention, we add an underscore to attributes that are not being created upon the initialization of the object but by calling the object's other methods—for example, self.w_.
Note
If you are not yet familiar with Python's scientific libraries or need a refresher, please see the following resources:
NumPy: http://wiki.scipy.org/Tentative_NumPy_Tutorial
Pandas: http://pandas.pydata.org/pandas-docs/stable/tutorials.html
Matplotlib: http://matplotlib.org/users/beginner.html
Also, to better follow the code examples, I recommend you download the IPython notebooks from the Packt website. For a general introduction to IPython notebooks, please visit https://ipython.org/ipython-doc/3/notebook/index.html.
import numpy as np
class Perceptron(object):
"Perceptron classifier.
Parameters
------------
eta : float
Learning rate (between 0.0 and 1.0)
n_iter : int
Passes over the training dataset.
Attributes
-----------
w_ : 1d-array
Weights after fitting.
errors_ : list
Number of misclassifications in every epoch.
"
def __init__(self, eta=0.01, n_iter=10):
self.eta = eta
self.n_iter = n_iter
def fit(self, X, y):
"Fit training data.
Parameters
----------
X : {array-like}, shape = [n_samples, n_features]
Training vectors, where n_samples
is the number of samples and
n_features is the number of features.
y : array-like, shape = [n_samples]
Target values.
Returns
-------
self : object
"
self.w_ = np.zeros(1 + X.shape[1])
self.errors_ = []
for _ in range(self.n_iter):
errors = 0
for xi, target in zip(X, y):
update = self.eta * (target - self.predict(xi))
self.w_[1:] += update * xi
self.w_[0] += update
errors += int(update != 0.0)
self.errors_.append(errors)
return self
def net_input(self, X):
Calculate net input
return np.dot(X, self.w_[1:]) + self.w_[0]
def predict(self, X):
Return class label after unit step
return np.where(self.net_input(X) >= 0.0, 1, -1)
Using this perceptron implementation, we can now initialize new Perceptron objects with a given learning rate eta and n_iter, which is the number of epochs (passes over the training set). Via the fit method we initialize the weights in self.w_ to a zero-vector where stands for the number of dimensions (features) in the dataset where we add 1 for the zero-weight (that is, the threshold).
Note
NumPy indexing for one-dimensional arrays works similarly to Python lists using the square-bracket ([]) notation. For two-dimensional arrays, the first indexer refers to the row number, and the second indexer to the column number. For example, we would use X[2, 3] to select the third row and fourth column of a 2D array X.
After the weights have been initialized, the fit method loops over all individual samples in the training set and updates the weights according to the perceptron learning rule that we discussed in the previous section. The class labels are predicted by the predict method, which is also called in the fit method to predict the class label for the weight update, but predict can also be used to predict the class labels of new data after we have fitted our model. Furthermore, we also collect the number of misclassifications during each epoch in the list self.errors_ so that we can later analyze how well our perceptron performed during the training. The np.dot function that is used in the net_input method simply calculates the vector dot product .
Note
Instead of using NumPy to calculate the vector dot product between two arrays a and b via a.dot(b) or np.dot(a, b), we could also perform the calculation in pure Python via sum([j*j for i,j in zip(a, b)]. However, the advantage of using NumPy over classic Python for-loop structures is that its arithmetic operations are vectorized. Vectorization means that an elemental arithmetic operation is automatically applied to all elements in an array. By formulating our arithmetic operations as a sequence of instructions on an array rather than performing a set of operations for each element one at a time, we can make better use of our modern CPU architectures with Single Instruction, Multiple Data (SIMD) support. Furthermore, NumPy uses highly optimized linear algebra libraries, such as Basic Linear Algebra Subprograms (BLAS) and Linear Algebra Package (LAPACK) that have been written in C or Fortran. Lastly, NumPy also allows us to write our code in a more compact and intuitive way using the basics of linear algebra, such as vector and matrix dot products.
Training a perceptron model on the Iris dataset
To test our perceptron implementation, we will load the two flower classes Setosa and Versicolor from the Iris dataset. Although, the perceptron rule is not restricted to two dimensions, we will only consider the two features sepal length and petal length for visualization purposes. Also, we only chose the two flower classes Setosa and Versicolor for practical reasons. However, the perceptron algorithm can be extended to multi-class classification—for example, through the One-vs.-All technique.
Note
One-vs.-All (OvA), or sometimes also called One-vs.-Rest (OvR), is a technique, us to extend a binary classifier to multi-class problems. Using OvA, we can train one classifier per class, where the particular class is treated as the positive class and the samples from all other classes are considered as the negative class. If we were to classify a new data sample, we would use our classifiers, where is the number of class labels, and assign the class label with the highest confidence to the particular sample. In the case of the perceptron, we would use OvA to choose the class label that is associated with the largest absolute net input value.
First, we will use the pandas library to load the Iris dataset directly from the UCI Machine Learning Repository into a DataFrame object and print the last five lines via the tail method to check that the data was loaded correctly:
>>> import pandas as pd >>> df = pd.read_csv('https://archive.ics.uci.edu/ml/' ... 'machine-learning-databases/iris/iris.data', header=None) >>> df.tail()
Next, we extract the first 100 class labels that correspond to the 50 Iris-Setosa and 50 Iris-Versicolor flowers, respectively, and convert the class labels into the two integer class labels 1 (Versicolor) and -1 (Setosa) that we assign to a vector y where the values method of a pandas DataFrame yields the corresponding NumPy representation. Similarly, we extract the first feature column (sepal length) and the third feature column (petal length) of those 100 training samples and assign them to a feature matrix X, which we can visualize via a two-dimensional scatter plot:
>>> import matplotlib.pyplot as plt >>> import numpy as np
>>> y =