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Machine Learning Theory and Applications Enables readers to understand mathematical concepts behind data engineering and machine learning algorithms and apply them using open-source Python libraries Machine Learning Theory and Applications delves into the realm of machine learning and deep learning, exploring their practical applications by comprehending mathematical concepts and implementing them in real-world scenarios using Python and renowned open-source libraries. This comprehensive guide covers a wide range of topics, including data preparation, feature engineering techniques, commonly utilized machine learning algorithms like support vector machines and neural networks, as well as generative AI and foundation models. To facilitate the creation of machine learning pipelines, a dedicated open-source framework named hephAIstos has been developed exclusively for this book. Moreover, the text explores the fascinating domain of quantum machine learning and offers insights on executing machine learning applications across diverse hardware technologies such as CPUs, GPUs, and QPUs. Finally, the book explains how to deploy trained models through containerized applications using Kubernetes and OpenShift, as well as their integration through machine learning operations (MLOps). Additional topics covered in Machine Learning Theory and Applications include: * Current use cases of AI, including making predictions, recognizing images and speech, performing medical diagnoses, creating intelligent supply chains, natural language processing, and much more * Classical and quantum machine learning algorithms such as quantum-enhanced Support Vector Machines (QSVMs), QSVM multiclass classification, quantum neural networks, and quantum generative adversarial networks (qGANs) * Different ways to manipulate data, such as handling missing data, analyzing categorical data, or processing time-related data * Feature rescaling, extraction, and selection, and how to put your trained models to life and production through containerized applications Machine Learning Theory and Applications is an essential resource for data scientists, engineers, and IT specialists and architects, as well as students in computer science, mathematics, and bioinformatics. The reader is expected to understand basic Python programming and libraries such as NumPy or Pandas and basic mathematical concepts, especially linear algebra.

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Machine Learning Theory and Applications

Hands‐on Use Cases with Python on Classical and Quantum Machines

Xavier Vasques

IBM Technology, Bois-Colombes, France

Laboratoire de Recherche en Neurosciences Cliniques, Montferriez sur lez, France

Ecole Nationale Supérieure de Cognitique Bordeaux, Bordeaux, France

Copyright © 2024 by John Wiley & Sons, Inc. All rights reserved.

Published by John Wiley & Sons, Inc., Hoboken, New Jersey.Published simultaneously in Canada.

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Library of Congress Cataloging‐in‐Publication Data:

Names: Vasques, Xavier, author.Title: Machine learning theory and applications : hands-on use cases with Python on classical and quantum machines / Xavier Vasques.Description: Hoboken, New Jersey : Wiley, [2024] | Includes index.Identifiers: LCCN 2023039030 (print) | LCCN 2023039031 (ebook) | ISBN 9781394220618 (hardback) | ISBN 9781394220632 (adobe pdf) | ISBN 9781394220625 (epub)Subjects: LCSH: Machine learning. | Quantum computing. | Python (Computer program language)Classification: LCC Q325.5 .V37 2024 (print) | LCC Q325.5 (ebook) | DDC 006.3/1--dc23/eng/20231023LC record available at https://lccn.loc.gov/2023039030LC ebook record available at https://lccn.loc.gov/2023039031

Cover image: WileyCover design: © anand purohit/Getty Images

To my wife Laura and my daughter Elsa

Foreword

The wheels of time turn faster and faster, and as individuals and as human society we all need to adapt and follow. Progress is uncountable in all domains.

Over the last two years, the author has dedicated many hours over weekends and late evenings to provide a volume of reference to serve as a guide for all those who plan to travel through machine learning from scratch, and to use it in elaborated domains where it could make a real difference, for the good of the people, society, and our planet.

The story of the book started with some blog post series that reached many readers, visits, and interactions. This initiative was not a surprise for me, knowing the author's background and following his developments in the fields of science and technology. Almost 20 years passed since I first met Xavier Vasques. He was freshly appointed for a PhD in applied mathematics, but he was still searching for a salient and tangible application of mathematics. Therefore, he switched to a domain where mathematics was applied to neurosciences and medicine. The topic related to deep brain stimulation (DBS), a neurosurgical intervention using electric stimulation to modulate dysfunctional brain networks to alleviate disabling symptoms in neurological and psychiatric conditions. Therapeutic electric field modelling was the topic of his PhD thesis in Neurosciences. He further completed his training by a master's in computer science from The Conservatoire National des Arts et Métiers, and continued his career in IBM where all his skills combined to push technological development further and fill the gap in many domains through fruitful projects. Neurosciences remained one of his main interests. He joined the Ecole Polytechnique Fédérale de Lausanne in Switzerland as researcher and manager of both the Data Analysis and the Brain Atlasing sections for the Blue Brain Project and the Human Brain Project in the Neuroinformatics division. Back at IBM, he is currently Vice-President and CTO of IBM Technology and Research and Development in France.

Throughout his career, Xavier could contemplate the stringent need but also the lack of communication, understanding, and exchanges between mathematics, computer science, and industry to support technological development. Informatics use routines and algorithms but we do not know precisely what lies behind it from the mathematical standpoint. Mathematicians do not master codes and coding. Industry involved in production of hardware does not always master some of the concepts and knowledge from these two domains to favor progress.

The overall intention of this book is to provide a tool for both beginners and advanced users and facilitate translation from theoretical mathematics to coding, from software to hardware, by understanding and mastering machine learning.

The very personal approach with handwriting, “hand‐crafted” figures, and “hands on” approach, makes the book even more accessible and friendly.

May this book be an opportunity for many people, and a guidance for understanding and bringing forth, in a constructive and meaningful way, data science solely for the good of mankind in this busy, febrile, and unsteady twenty‐first century.

I am writing from the perspective of the clinician who so many times wondered what is a code, an algorithm, supervised and unsupervised machine learning, deep learning, and so forth.

I see already vocations from very young ages, where future geeks (if the term is still accepted by today's youth) will be able to structure their skills and why not push forward the large amount of work, by challenging the author, criticizing and completing the work.

It is always a joy to see somebody achieving. This is the case for this work by Xavier who spared no energy and time to leave the signature of his curriculum but especially that of his engagement and sharing for today's society.

Montpellier, July 2023

Dr. Laura Cif, MD, PhDService de Neurologie, Département desNeurosciences Cliniques, Lausanne UniversityHospital, Lausanne, SwitzerlandLaboratoire de Recherche en NeurosciencesCliniques, France

Acknowledgments

I would like to express my deepest gratitude to my loving wife and daughter, whose unwavering support and understanding have been invaluable throughout the journey of writing this book. Their patience, encouragement, and belief in my abilities have been a constant source of motivation.

To my wife, thank you for your endless love, understanding, and for standing by me during the countless hours spent researching, writing, and editing. Your unwavering support and belief in my work have been a guiding light.

To my dear daughter, thank you for your patience, understanding, and for being a constant source of inspiration. Your enthusiasm for learning and exploring new ideas has fueled my passion for this project.

I am truly grateful for the love, understanding, and encouragement that my wife and daughter have provided. Without them, this book would not have been possible. Their presence in my life has made every step of this journey meaningful and fulfilling.

Thank you, from the bottom of my heart.

Montpellier, July, 2023

Xavier Vasques

General Introduction

The Birth of the Artificial Intelligence Concept

Thomas Hobbes begins his Leviathan by saying, “Reason is nothing but reckoning.” This aphorism implies that we could behave like machines. The film The Matrix, meanwhile, lets us imagine that we are controlled by an artificial creature in silico. This machine projects into our brains an imaginary, fictional world that we believe to be real. We are therefore deceived by calculations and an electrode piercing the back of our skull. The scenarios abound in our imagination. Fiction suggests to us that one day, it will be easy to replicate our brains, like simple machines, and far from the complexity that we currently imagine. Any mainstream conference on artificial intelligence (AI) routinely shows an image from The Terminator or 2001: A Space Odyssey.

If “reason is nothing but reckoning,” we could find a mathematical equation that simulates our thinking, our consciousness, and our unconsciousness. This thought is not new. Since the dawn of time, humans have constantly sought to reproduce nature. The question of thought, as such, is one of the great questions that humanity has asked itself. What makes Odysseus able to get away with tricks, flair, imagination, and intuition? How do we reflect, reason, argue, demonstrate, predict, invent, adapt, make analogies, induce, deduce, or understand? Is there a model that allows us to approach these things? Throughout our history, we have claimed that a machine cannot calculate like humans or speak, debate, or multitask like humans. Our desire for mechanization over millennia has shown us that machines, tools, and techniques can accomplish these tasks that we had thought were purely human. Does this mean that machines have surpassed humans? We can only acquiesce to a wide range of tasks. Are machines human? No!

Since our species emerged, we have continued to create tools intended to improve our daily lives, increase our comfort, make our tasks less painful, protect us against predators, and discover our world and beyond. These same tools have also turned against us, even though they had not been endowed with any intelligence. Beyond the use as a tool of AI, the quest for the thinking machine can be viewed in a slightly different way. It can be seen as a desire to know who we are, or what we are. It can also be considered as a desire to play God. Since ancient times, philosophers and scientists have been asking these questions and trying to understand and imitate nature in the hope of giving meaning to our being and sometimes to gain control. This imitation involves the creation of simple or complex models more or less approaching reality. So it is with the history of AI. AI comes not only from the history of the evolution of human thought on the body and the nature of the mind through philosophy, myths, or science but also from the technologies that have accompanied us throughout our history, from the pebble used to break shells to the supercolliders used to investigate quantum mechanics. Some historians have found ancient evidence of human interest in artificial creatures, particularly in ancient Egypt, millennia before the coming of Jesus Christ (BCE). Articulated statues, which could be described as automatons, were used during religious ceremonies to depict a tradesperson such as a kneading baker or to represent Anubis or Qebehsenouf as a dog's head with movable jaws. Even if they are only toys or animated statuettes using screws, levers, or pulleys, we can see a desire to artificially reproduce humans in action. These objects are not capable of moving on their own, but imagination can help. Automatons may become a symbol of our progress and emancipatory promises. These advances have also been an opportunity for humans to question their own humanity. The use of AI has been the subject of many questions and sources of concern about the future of the human species and its dehumanization.

In Greek mythology, robot servants made by the divine blacksmith Hephaestus lay the foundations for this quest for artificial creation. Despite the fact that Hephaestus is a god with deformed, twisted, crippled feet, this master of fire is considered an exceptional craftsman who has created magnificent divine works. A peculiarity of the blacksmith, recounted in the Iliad, is his ability to create and animate objects capable of moving on their own and imitating life. He is credited with creating golden servants who assist him in his work and many other automatons with different functions, including guard dogs to protect the palace of Alkinoos, horses for the chariot of the Cabires, or the giant Talos to guard the island of Crete. Items crafted by Hephaestus are also clever, allowing the gates of Olympus to open on their own or the bellows of the forge to work autonomously. The materials such as gold and bronze used to make these artificial creatures offer them immense resistance and even immortality. These automatons are there to serve the gods and to perform tedious, repetitive, and daunting tasks to perfection by surpassing mortals. No one can escape the dog forged by Hephaestus, and no one can circumnavigate Crete three times a day as Talos does. The human dream may have found its origins here. In the time of Kronos, humans lived with the gods and led a life without suffering, without pain, and without work, because nature produced abundantly without effort. All you had to do was stretch out your arm to pick up the fruit. The young golden servants “perfectly embody the wealth, the beauty, the strength, the vitality of this bygone golden age for humans” (J.W. Alexandre Marcinkowski). This perfect world, without slavery, without thankless tasks, where humans do not experience fatigue and can dedicate themselves to noble causes, was taken up by certain philosophers including Aristotle, who in a famous passage from Politics sees in artificial creatures an advantage that is certain:

If every tool, when ordered, or even of its own accord, could do the work that benefits it… then there would be no need either of apprentices for the master workers or of slaves for the lords.

Aristotle, Politics

We can see in this citation one of the first definitions of AI. Hephaestus does not imitate the living but rather creates it, which is different from imitation. Blacksmith automatons have intelligence, voice, and strength. His creations do not equal the gods, who are immortal and impossible to equal. This difference shows a hierarchy between the gods and those living automatons who are their subordinates. The latter are also superior to humans when considering the perfection of the tasks that are performed simply, without defects or deception. This superiority is not entirely accurate in the sense that some humans have shown themselves to be more intelligent than automatons to achieve their ends. We can cite Medea’s overcoming of Talos. Hephaestus is the only deity capable of creating these wondrous creatures. But these myths lay the foundations of the relationship between humans and technology. Hephaestus is inspired by nature, living beings, and the world. He makes models that do not threaten the mortal world. These creatures are even prehumans if we think of Pandora. In the Hellenistic period, machines were created, thanks to scientists and engineers such as Philo of Byzantium or Heron of Alexandria. We have seen the appearance of automatic doors that open by themselves at the sound of a trumpet, an automatic water dispenser, and a machine using the contraction of air or its rarefaction to operate a clock. Many automatons are also described in the Pneumatika and Automaton‐Making by Héron. These automatons amaze but are not considered to produce things industrially and have no economic or societal impact; these machines make shows. At that time, there was likely no doubt that we could perhaps imitate nature and provide the illusion but surely not match it, unlike Hephaestus who instead competes with nature. The works of Hephaestus are perfect, immortal, and capable of “engendering offspring.” When his creatures leave Olympus and join humans, they degenerate and die. Hephaestus, unlike humans, does not imitate the living but instead manufactures it. Despite thousands of years of stories, myths, attempts, and discoveries, we are still far from Hephaestus.

Nevertheless, our understanding has evolved. We have known for a century that our brain runs on fuel, oxygen, and glucose. It also works with electricity since neurons transmit what they have to transmit, thanks to electrical phenomena, using what are called action potentials. Electricity is something we can model. In his time, Galileo said that “nature is a book written in mathematical language.” So, can we seriously consider the creation of a human brain, thanks to mathematics? To imagine programming or simulating thought, you must first understand it, take it apart, and break it down. To encode a reasoning process, you must first be able to decode it. The analysis of this process, or the desire for analysis in any case, has existed for a very long time.

The concepts of modern computing have their origins in a time when mathematics and logic were two unrelated subjects. Logic was notably developed, thanks to two philosophers, Plato and Aristotle. We do not necessarily make the connection, but without Plato, Aristotle, or Galileo, we might not have seen IBM, Microsoft, Amazon, or Google. Mathematics and logic are the basis of computer science. When AI began to develop, it was assumed that the functioning of thought could be mechanized. The study of the mechanization of thought or reasoning has a very long history, as Chinese, Indian, and Greek philosophers had already developed formal deduction methods during the first millennium BCE. Aristotle developed the formal analysis of what is called the syllogism:

All men are mortal

Socrates is a man

Therefore, Socrates is mortal

This looks like an algorithm. Euclid, around 300 BCE. J.‐C., subsequently wrote the Elements, which develops a formal model of reasoning. Al‐Khwārizmi (born around 780 CE) developed algebra and gave the algorithm its name. Moving forward several centuries, in the seventeenth century the philosophers Leibniz, Hobbes, and Descartes explored the possibility that all rational thought could be systematically translated into algebra or geometry. In 1936, Alan Turing laid down the basic principles of computation. This was also a time when mathematicians and logicians worked together and gave birth to the first machines.

In 1956, the expression “artificial intelligence” was born during a conference at the Dartmouth College in the United States. Although computers at the time were being used primarily for what was called scientific computing, researchers John McCarthy and Marvin Minsky used computers for more than just computing; they had big ambitions with AI. Three years later, they opened the first AI laboratory at MIT. There was considerable investment, great ambitions, and a lot of unrealized hope at the time. Among the promises? Build a computer that can mimic the human brain. These promises have not been kept to this day despite some advances: Garry Kasparov was beaten in chess by the IBM Deep Blue machine, IBM's Watson AI system defeated the greatest players in the game Jeopardy!, and AlphaGo beat the greatest players in the board game Go by learning without human intervention. Demis Hassabis, whose goal was to create the best Go player, created AlphaGo. We learned that we were very bad players, contrary to what we had thought. The game of Go was considered at that time to be impregnable. In October 2015, AlphaGo became the first program to defeat a professional (the French player Fan Hui). In March 2016, AlphaGo beat Lee Sedol, one of the best players in the world (ninth dan professional). In May 2017, it defeated world champion Ke Jie.

These are accomplishments. But there are still important differences between human and machine. A machine today can perform more than 200 million billion operations per second, and it is progressing. By the time you read this book, this figure will surely have already been exceeded. On the other hand, if there is a fire in the room, Kasparov will take to his heels while the machine will continue to play chess! Machines are not aware of themselves, and this is important to mention. AI is a tool that can help us search for information, identify patterns, and process natural language. It is machine learning that allows elimination of bias or detection of weak signals. The human component involves common sense, morality, creativity, imagination, compassion, abstraction, dilemmas, dreams, generalization, relationships, friendship, and love.

Machine Learning

In this book, we are not going to philosophize but we will explore how to apply machine learning concretely. Machine learning is a subfield of AI that aims to understand the structure of data and fit that data into models that we can use for different applications. Since the optimism of the 1950s, smaller subsets of AI such as machine learning, followed by deep learning, have created much more concrete applications and larger disruptions in our economies and lives.

Machine learning is a very active field, and some considerations are important to keep in mind. This technology is used anywhere from automating tasks to providing intelligent insights. It concerns every industry, and you are almost certainly using AI applications without knowing it. We can make predictions, recognize images and speech, perform medical diagnoses, devise intelligent supply chains, and much more. In this book, we will explore the common machine learning methods. The reader is expected to understand basic Python programming and libraries such as NumPy or Pandas. We will study how to prepare data before feeding the models by showing the math and the code using well‐known open‐source frameworks. We will also learn how to run these models on not only classical computers (CPU‐ or GPU‐based) but also quantum computers. We will also learn the basic mathematical concepts behind machine learning models.

From Theory to Production

One important step in our journey to AI is how we put the models we have trained into production. The best AI companies have created data hubs to simplify access to governed, curated, and high‐quality data. These data are accessible to any user who is authorized, regardless of where the data or the user is located. It is a kind of self‐service architecture for data consumption. The reason we need to consider the notion of a data hub is that we are in a world of companies that have multiple public clouds, on‐premises environments, private clouds, hybrid clouds, distributed clouds, and other platforms. Understanding this world is a key differentiator for a data scientist. This is what we call data governance, which is critical to an organization if they really want to benefit from AI. How much time do we spend retrieving data?

Another important topic regarding AI is how we ensure that the models we develop are trustworthy. As humans and AI systems are increasingly working together, it is essential that we trust the output of these systems. As scientists or engineers, we need to work on defining the dimensions of trusted AI, outlining diverse approaches to achieve the different dimensions, and determining how to integrate them throughout the entire lifecycle of an AI application.

The topic of AI ethics has garnered broad interest from the media, industry, academia, and government. An AI system itself is not biased per se but simply learns from whatever the data teaches it. As an example of apparent bias, recent research has shown significantly higher error rates in image classification for dark‐skinned females than for men or other skin tones. When we write a line of code, it is our duty and our responsibility to make sure that unwanted bias in datasets and machine learning models does not appear and is anticipated before putting something into production. We cannot ignore that machine learning models are being used increasingly to inform high‐stakes decisions about real people. Although machine learning, by its very nature, is always a form of statistical discrimination, the discrimination becomes objectionable when it places certain privileged groups at a systematic advantage and certain unprivileged groups at a systematic disadvantage. Bias in training data, due to either prejudice in labels or under‐ or over‐sampling, yields models with undesirable results.

I believe that most people are increasingly interested in rights in the workplace, access to health care and education, and economic, social, and cultural rights. I am convinced that AI can provide us with the opportunity and the choice to improve these rights. It will improve the way we perform tasks and allow us to focus on what really matters, such as human relations, and give us the freedom and time to develop our creativity and somehow, as in the past, have time to reflect. AI is already improving our customer experience. When we think of customer experience, we can consider one of the most powerful concepts that Mahatma Gandhi mentioned – the concept of Antyodaya, which means focusing on the benefits for the very last person in a line or a company. When you have to make choices, you must always ask yourself what impact it has on the very last person. So, how are our decisions on AI or our lines of code going to affect a young patient in a hospital or a young girl in school? How will AI affect the end user? The main point is about how technology can improve the customer experience. AI is a technology that will improve our experiences, and I believe it will help us focus on improving humanity and give us time to develop our creativity.

AI can truly help us manage knowledge. As an example, roughly 160,000 cancer studies are published every year. The amount of information available in the world is so vast in quantity that a human cannot process this information. If we take 15 minutes to read a research paper, we will need 40,000 hours a year to read 160,000 research papers; we only have 8,760 hours in a year. Would we not want each of our doctors to be able to take advantage of this knowledge and more to learn about us and how to help us stay healthy or help us deal with illnesses? Cognitive systems can be trained by top doctors and read enormous amounts of information such as medical notes, MRIs, and scientific research in seconds and improve research and development by analyzing millions of papers not only from a specific field but also from all related areas and new ways to treat patients. We can use and share these trained systems to provide access to care for all populations.

This general introduction has aimed to clarify the potential of AI, but if you are reading these lines, it is certainly because you are already convinced. The real purpose of this book is to introduce you to the world of machine learning by explaining the main mathematical concepts and applying them to real‐world data. Therefore, we will use Python and the most often‐used open‐source libraries. We will learn several concepts such as feature rescaling, feature extraction, and feature selection. We will explore the different ways to manipulate data such as handling missing data, analyzing categorical data, or processing time‐related data. After the study of the different preprocessing strategies, we will approach the most often‐used machine learning algorithms such as support vector machine or neural networks and see them run on classical (CPU‐ and GPU‐based) or quantum computers. Finally, an important goal of this book is to apply our models into production in real life through application programming interfaces (APIs) and containerized applications by using Kubernetes and OpenShift as well as integration through machine learning operations (MLOps).

I would like to take the opportunity here to say a warm thank you to all the data scientists around the world who have openly shared their knowledge or code through blogs or data science platforms, as well as the open‐source community that has allowed us to improve our knowledge in the field. We are grateful to have all these communities – there is always someone who has written about something we need or face.

This book was written with the idea to always have nearby a book that I can open when I need to refresh some machine learning concepts and reuse some code. All code is available online and the links are provided.

I hope you will enjoy reading this book, and any feedback to improve it is most welcome!