updating text
|
After Width: | Height: | Size: 15 KiB |
|
After Width: | Height: | Size: 19 KiB |
|
After Width: | Height: | Size: 21 KiB |
|
After Width: | Height: | Size: 44 KiB |
|
After Width: | Height: | Size: 10 KiB |
|
After Width: | Height: | Size: 10 KiB |
|
After Width: | Height: | Size: 9.3 KiB |
|
After Width: | Height: | Size: 14 KiB |
|
After Width: | Height: | Size: 20 KiB |
@@ -0,0 +1,367 @@
|
||||
{
|
||||
"cells": [
|
||||
{
|
||||
"cell_type": "markdown",
|
||||
"metadata": {},
|
||||
"source": [
|
||||
"<!-- dom:TITLE: Introduction to Applied Data Analysis and Machine Learning -->\n",
|
||||
"# Introduction to Applied Data Analysis and Machine Learning\n",
|
||||
"<!-- dom:AUTHOR: Morten Hjorth-Jensen at Department of Physics, University of Oslo & Department of Physics and Astronomy and National Superconducting Cyclotron Laboratory, Michigan State University -->\n",
|
||||
"<!-- Author: --> \n",
|
||||
"**Morten Hjorth-Jensen**, Department of Physics, University of Oslo and Department of Physics and Astronomy and National Superconducting Cyclotron Laboratory, Michigan State University\n",
|
||||
"\n",
|
||||
"Date: **Nov 19, 2019**\n",
|
||||
"\n",
|
||||
"Copyright 1999-2019, Morten Hjorth-Jensen. Released under CC Attribution-NonCommercial 4.0 license\n",
|
||||
"\n",
|
||||
"\n",
|
||||
"\n",
|
||||
"\n",
|
||||
"\n",
|
||||
"## Introduction\n",
|
||||
"\n",
|
||||
"During the last two decades there has been a swift and amazing\n",
|
||||
"development of Machine Learning techniques and algorithms that impact\n",
|
||||
"many areas in not only Science and Technology but also the Humanities,\n",
|
||||
"Social Sciences, Medicine, Law, indeed, almost all possible\n",
|
||||
"disciplines. The applications are incredibly many, from self-driving\n",
|
||||
"cars to solving high-dimensional differential equations or complicated\n",
|
||||
"quantum mechanical many-body problems. Machine Learning is perceived\n",
|
||||
"by many as one of the main disruptive techniques nowadays. \n",
|
||||
"\n",
|
||||
"Statistics, Data science and Machine Learning form important\n",
|
||||
"fields of research in modern science. They describe how to learn and\n",
|
||||
"make predictions from data, as well as allowing us to extract\n",
|
||||
"important correlations about physical process and the underlying laws\n",
|
||||
"of motion in large data sets. The latter, big data sets, appear\n",
|
||||
"frequently in essentially all disciplines, from the traditional\n",
|
||||
"Science, Technology, Mathematics and Engineering fields to Life\n",
|
||||
"Science, Law, education research, the Humanities and the Social\n",
|
||||
"Sciences.\n",
|
||||
"\n",
|
||||
"It has become more\n",
|
||||
"and more common to see research projects on big data in for example\n",
|
||||
"the Social Sciences where extracting patterns from complicated survey\n",
|
||||
"data is one of many research directions. Having a solid grasp of data\n",
|
||||
"analysis and machine learning is thus becoming central to scientific\n",
|
||||
"computing in many fields, and competences and skills within the fields\n",
|
||||
"of machine learning and scientific computing are nowadays strongly\n",
|
||||
"requested by many potential employers. The latter cannot be\n",
|
||||
"overstated, familiarity with machine learning has almost become a\n",
|
||||
"prerequisite for many of the most exciting employment opportunities,\n",
|
||||
"whether they are in bioinformatics, life science, physics or finance,\n",
|
||||
"in the private or the public sector. This author has had several\n",
|
||||
"students or met students who have been hired recently based on their\n",
|
||||
"skills and competences in scientific computing and data science, often\n",
|
||||
"with marginal knowledge of machine learning.\n",
|
||||
"\n",
|
||||
"Machine learning is a subfield of computer science, and is closely\n",
|
||||
"related to computational statistics. It evolved from the study of\n",
|
||||
"pattern recognition in artificial intelligence (AI) research, and has\n",
|
||||
"made contributions to AI tasks like computer vision, natural language\n",
|
||||
"processing and speech recognition. Many of the methods we will study are also \n",
|
||||
"strongly rooted in basic mathematics and physics research. \n",
|
||||
"\n",
|
||||
"Ideally, machine learning represents the science of giving computers\n",
|
||||
"the ability to learn without being explicitly programmed. The idea is\n",
|
||||
"that there exist generic algorithms which can be used to find patterns\n",
|
||||
"in a broad class of data sets without having to write code\n",
|
||||
"specifically for each problem. The algorithm will build its own logic\n",
|
||||
"based on the data. You should however always keep in mind that\n",
|
||||
"machines and algorithms are to a large extent developed by humans. The\n",
|
||||
"insights and knowledge we have about a specific system, play a central\n",
|
||||
"role when we develop a specific machine learning algorithm. \n",
|
||||
"\n",
|
||||
"Machine learning is an extremely rich field, in spite of its young\n",
|
||||
"age. The increases we have seen during the last three decades in\n",
|
||||
"computational capabilities have been followed by developments of\n",
|
||||
"methods and techniques for analyzing and handling large date sets,\n",
|
||||
"relying heavily on statistics, computer science and mathematics. The\n",
|
||||
"field is rather new and developing rapidly. Popular software packages\n",
|
||||
"written in Python for machine learning like\n",
|
||||
"[Scikit-learn](http://scikit-learn.org/stable/),\n",
|
||||
"[Tensorflow](https://www.tensorflow.org/),\n",
|
||||
"[PyTorch](http://pytorch.org/) and [Keras](https://keras.io/), all\n",
|
||||
"freely available at their respective GitHub sites, encompass\n",
|
||||
"communities of developers in the thousands or more. And the number of\n",
|
||||
"code developers and contributors keeps increasing. Not all the\n",
|
||||
"algorithms and methods can be given a rigorous mathematical\n",
|
||||
"justification, opening up thereby large rooms for experimenting and\n",
|
||||
"trial and error and thereby exciting new developments. However, a\n",
|
||||
"solid command of linear algebra, multivariate theory, probability\n",
|
||||
"theory, statistical data analysis, understanding errors and Monte\n",
|
||||
"Carlo methods are central elements in a proper understanding of many\n",
|
||||
"of algorithms and methods we will discuss.\n",
|
||||
"\n",
|
||||
"\n",
|
||||
"<!-- !split -->\n",
|
||||
"## Learning outcomes\n",
|
||||
"\n",
|
||||
"These sets of lectures aim at giving you an overview of central aspects of\n",
|
||||
"statistical data analysis as well as some of the central algorithms\n",
|
||||
"used in machine learning. We will introduce a variety of central\n",
|
||||
"algorithms and methods essential for studies of data analysis and\n",
|
||||
"machine learning. \n",
|
||||
"\n",
|
||||
"Hands-on projects and experimenting with data and algorithms plays a central role in\n",
|
||||
"these lectures, and our hope is, through the various\n",
|
||||
"projects and exercises, to expose you to fundamental\n",
|
||||
"research problems in these fields, with the aim to reproduce state of\n",
|
||||
"the art scientific results. You will learn to develop and\n",
|
||||
"structure codes for studying these systems, get acquainted with\n",
|
||||
"computing facilities and learn to handle large scientific projects. A\n",
|
||||
"good scientific and ethical conduct is emphasized throughout the\n",
|
||||
"course. More specifically, you will\n",
|
||||
"\n",
|
||||
"1. Learn about basic data analysis, Bayesian statistics, Monte Carlo methods, data optimization and machine learning;\n",
|
||||
"\n",
|
||||
"2. Be capable of extending the acquired knowledge to other systems and cases;\n",
|
||||
"\n",
|
||||
"3. Have an understanding of central algorithms used in data analysis and machine learning;\n",
|
||||
"\n",
|
||||
"4. Gain knowledge of central aspects of Monte Carlo methods, Markov chains, Gibbs samplers and their possible applications, from numerical integration to simulation of stock markets;\n",
|
||||
"\n",
|
||||
"5. Understand methods for regression and classification;\n",
|
||||
"\n",
|
||||
"6. Learn about neural network, genetic algorithms and Boltzmann machines;\n",
|
||||
"\n",
|
||||
"7. Work on numerical projects to illustrate the theory. The projects play a central role and you are expected to know modern programming languages like Python or C++, in addition to a basic knowledge of linear algebra (typically taught during the first one or two years of undergraduate studies).\n",
|
||||
"\n",
|
||||
"There are several topics we will cover here, spanning from \n",
|
||||
"statistical data analysis and its basic concepts such as expectation\n",
|
||||
"values, variance, covariance, correlation functions and errors, via\n",
|
||||
"well-known probability distribution functions like the uniform\n",
|
||||
"distribution, the binomial distribution, the Poisson distribution and\n",
|
||||
"simple and multivariate normal distributions to central elements of\n",
|
||||
"Bayesian statistics and modeling. We will also remind the reader about\n",
|
||||
"central elements from linear algebra and standard methods based on\n",
|
||||
"linear algebra used to optimize (minimize) functions (the family of gradient descent methods)\n",
|
||||
"and the Singular-value decomposition and\n",
|
||||
"least square methods for parameterizing data.\n",
|
||||
"\n",
|
||||
"We will also cover Monte Carlo methods, Markov chains, well-known\n",
|
||||
"algorithms for sampling stochastic events like the Metropolis-Hastings\n",
|
||||
"and Gibbs sampling methods. An important aspect of all our\n",
|
||||
"calculations is a proper estimation of errors. Here we will also\n",
|
||||
"discuss famous resampling techniques like the blocking, the bootstrapping\n",
|
||||
"and the jackknife methods and the infamous bias-variance tradeoff. \n",
|
||||
"\n",
|
||||
"The second part of the material covers several algorithms used in\n",
|
||||
"machine learning.\n",
|
||||
"\n",
|
||||
"\n",
|
||||
"\n",
|
||||
"\n",
|
||||
"\n",
|
||||
"\n",
|
||||
"## Types of Machine Learning\n",
|
||||
"\n",
|
||||
"\n",
|
||||
"The approaches to machine learning are many, but are often split into\n",
|
||||
"two main categories. In *supervised learning* we know the answer to a\n",
|
||||
"problem, and let the computer deduce the logic behind it. On the other\n",
|
||||
"hand, *unsupervised learning* is a method for finding patterns and\n",
|
||||
"relationship in data sets without any prior knowledge of the system.\n",
|
||||
"Some authours also operate with a third category, namely\n",
|
||||
"*reinforcement learning*. This is a paradigm of learning inspired by\n",
|
||||
"behavioral psychology, where learning is achieved by trial-and-error,\n",
|
||||
"solely from rewards and punishment.\n",
|
||||
"\n",
|
||||
"Another way to categorize machine learning tasks is to consider the\n",
|
||||
"desired output of a system. Some of the most common tasks are:\n",
|
||||
"\n",
|
||||
" * Classification: Outputs are divided into two or more classes. The goal is to produce a model that assigns inputs into one of these classes. An example is to identify digits based on pictures of hand-written ones. Classification is typically supervised learning.\n",
|
||||
"\n",
|
||||
" * Regression: Finding a functional relationship between an input data set and a reference data set. The goal is to construct a function that maps input data to continuous output values.\n",
|
||||
"\n",
|
||||
" * Clustering: Data are divided into groups with certain common traits, without knowing the different groups beforehand. It is thus a form of unsupervised learning.\n",
|
||||
"\n",
|
||||
"The methods we cover have three main topics in common, irrespective of\n",
|
||||
"whether we deal with supervised or unsupervised learning. The first\n",
|
||||
"ingredient is normally our data set (which can be subdivided into\n",
|
||||
"training and test data), the second item is a model which is normally\n",
|
||||
"a function of some parameters. The model reflects our knowledge of\n",
|
||||
"the system (or lack thereof). As an example, if we know that our data\n",
|
||||
"show a behavior similar to what would be predicted by a polynomial,\n",
|
||||
"fitting our data to a polynomial of some degree would then determin\n",
|
||||
"our model.\n",
|
||||
"\n",
|
||||
"The last ingredient is a so-called **cost**\n",
|
||||
"function which allows us to present an estimate on how good our model\n",
|
||||
"is in reproducing the data it is supposed to train. \n",
|
||||
"\n",
|
||||
"Here we will build our machine learning approach on elements of the\n",
|
||||
"statistical foundation discussed above, with elements from data\n",
|
||||
"analysis, stochastic processes etc. We will discuss the following\n",
|
||||
"machine learning algorithms\n",
|
||||
"\n",
|
||||
"1. Linear regression and its variants\n",
|
||||
"\n",
|
||||
"2. Decision tree algorithms, from single trees to random forests\n",
|
||||
"\n",
|
||||
"3. Bayesian statistics and regression\n",
|
||||
"\n",
|
||||
"4. Support vector machines and finally various variants of\n",
|
||||
"\n",
|
||||
"5. Artifical neural networks and deep learning, including convolutional neural networks and Bayesian neural networks\n",
|
||||
"\n",
|
||||
"6. Networks for unsupervised learning using for example reduced Boltzmann machines.\n",
|
||||
"\n",
|
||||
"## Choice of programming language\n",
|
||||
"\n",
|
||||
"Python plays nowadays a central role in the development of machine\n",
|
||||
"learning techniques and tools for data analysis. In particular, seen\n",
|
||||
"the wealth of machine learning and data analysis libraries written in\n",
|
||||
"Python, easy to use libraries with immediate visualization(and not the\n",
|
||||
"least impressive galleries of existing examples), the popularity of the\n",
|
||||
"Jupyter notebook framework with the possibility to run **R** codes or\n",
|
||||
"compiled programs written in C++, and much more made our choice of\n",
|
||||
"programming language for this series of lectures easy. However,\n",
|
||||
"since the focus here is not only on using existing Python libraries such\n",
|
||||
"as **Scikit-Learn** or **Tensorflow**, but also on developing your own\n",
|
||||
"algorithms and codes, we will as far as possible present many of these\n",
|
||||
"algorithms either as a Python codes or C++ or Fortran (or other languages) codes. \n",
|
||||
"\n",
|
||||
"The reason we also focus on compiled languages like C++ (or\n",
|
||||
"Fortran), is that Python is still notoriously slow when we do not\n",
|
||||
"utilize highly streamlined computational libraries like\n",
|
||||
"[Lapack](http://www.netlib.org/lapack/) or other numerical libraries\n",
|
||||
"written in compiled languages (many of these libraries are written in\n",
|
||||
"Fortran). Although a project like [Numba](https://numba.pydata.org/)\n",
|
||||
"holds great promise for speeding up the unrolling of lengthy loops, C++\n",
|
||||
"and Fortran are presently still the performance winners. Numba gives\n",
|
||||
"you potentially the power to speed up your applications with high\n",
|
||||
"performance functions written directly in Python. In particular,\n",
|
||||
"array-oriented and math-heavy Python code can achieve similar\n",
|
||||
"performance to C, C++ and Fortran. However, even with these speed-ups,\n",
|
||||
"for codes involving heavy Markov Chain Monte Carlo analyses and\n",
|
||||
"optimizations of cost functions, C++/C or Fortran codes tend to\n",
|
||||
"outperform Python codes. \n",
|
||||
"\n",
|
||||
"Presently thus, the community tends to let\n",
|
||||
"code written in C++/C or Fortran do the heavy duty numerical\n",
|
||||
"number crunching and leave the post-analysis of the data to the above\n",
|
||||
"mentioned Python modules or software packages. However, with the developments taking place in for example the Python community, and seen\n",
|
||||
"the changes during the last decade, the above situation may change swiftly in the not too distant future. \n",
|
||||
"\n",
|
||||
"Many of the examples we discuss in this series of lectures come with\n",
|
||||
"existing data files or provide code examples which produce the data to\n",
|
||||
"be analyzed. Most of the applications we will discuss deal with\n",
|
||||
"small data sets (less than a terabyte of information) and can easily\n",
|
||||
"be analyzed and tested on standard off the shelf laptops you find in general \n",
|
||||
"stores.\n",
|
||||
"\n",
|
||||
"## Data handling, machine learning and ethical aspects\n",
|
||||
"\n",
|
||||
"In most of the cases we will study, we will either generate the data\n",
|
||||
"to analyze ourselves (both for supervised learning and unsupervised\n",
|
||||
"learning) or we will recur again and again to data present in say\n",
|
||||
"**Scikit-Learn** or **Tensorflow**. Many of the examples we end up\n",
|
||||
"dealing with are from a privacy and data protection point of view,\n",
|
||||
"rather inoccuous and boring results of numerical\n",
|
||||
"calculations. However, this does not hinder us from developing a sound\n",
|
||||
"ethical attitude to the data we use, how we analyze the data and how\n",
|
||||
"we handle the data.\n",
|
||||
"\n",
|
||||
"The most immediate and simplest possible ethical aspects deal with our\n",
|
||||
"approach to the scientific process. Nowadays, with version control\n",
|
||||
"software like [Git](https://git-scm.com/) and various online\n",
|
||||
"repositories like [Github](https://github.com/),\n",
|
||||
"[Gitlab](https://about.gitlab.com/) etc, we can easily make our codes\n",
|
||||
"and data sets we have used, freely and easily accessible to a wider\n",
|
||||
"community. This helps us almost automagically in making our science\n",
|
||||
"reproducible. The large open-source development communities involved\n",
|
||||
"in say [Scikit-Learn](http://scikit-learn.org/stable/),\n",
|
||||
"[Tensorflow](https://www.tensorflow.org/),\n",
|
||||
"[PyTorch](http://pytorch.org/) and [Keras](https://keras.io/), are\n",
|
||||
"all excellent examples of this. The codes can be tested and improved\n",
|
||||
"upon continuosly, helping thereby our scientific community at large in\n",
|
||||
"developing data analysis and machine learning tools. It is much\n",
|
||||
"easier today to gain traction and acceptance for making your science\n",
|
||||
"reproducible. From a societal stand, this is an important element\n",
|
||||
"since many of the developers are employees of large public institutions like\n",
|
||||
"universities and research labs. Our fellow taxpayers do deserve to get\n",
|
||||
"something back for their bucks.\n",
|
||||
"\n",
|
||||
"However, this more mechanical aspect of the ethics of science (in\n",
|
||||
"particular the reproducibility of scientific results) is something\n",
|
||||
"which is obvious and everybody should do so as part of the dialectics of\n",
|
||||
"science. The fact that many scientists are not willing to share their codes or \n",
|
||||
"data is detrimental to the scientific discourse.\n",
|
||||
"\n",
|
||||
"Before we proceed, we should add a disclaimer. Even though\n",
|
||||
"we may dream of computers developing some kind of higher learning\n",
|
||||
"capabilities, at the end (even if the artificial intelligence\n",
|
||||
"community keeps touting our ears full of fancy futuristic avenues), it is we, yes you reading these lines,\n",
|
||||
"who end up constructing and instructing, via various algorithms, the\n",
|
||||
"machine learning approaches. Self-driving cars for example, rely on sofisticated\n",
|
||||
"programs which take into account all possible situations a car can\n",
|
||||
"encounter. In addition, extensive usage of training data from GPS\n",
|
||||
"information, maps etc, are typically fed into the software for\n",
|
||||
"self-driving cars. Adding to this various sensors and cameras that\n",
|
||||
"feed information to the programs, there are zillions of ethical issues\n",
|
||||
"which arise from this.\n",
|
||||
"\n",
|
||||
"For self-driving cars, where basically many of the standard machine\n",
|
||||
"learning algorithms discussed here enter into the codes, at a certain\n",
|
||||
"stage we have to make choices. Yes, we , the lads and lasses who wrote\n",
|
||||
"a program for a specific brand of a self-driving car. As an example,\n",
|
||||
"all carmakers have as their utmost priority the security of the\n",
|
||||
"driver and the accompanying passengers. A famous European carmaker, which is\n",
|
||||
"one of the leaders in the market of self-driving cars, had **if**\n",
|
||||
"statements of the following type: suppose there are two obstacles in\n",
|
||||
"front of you and you cannot avoid to collide with one of them. One of\n",
|
||||
"the obstacles is a monstertruck while the other one is a kindergarten\n",
|
||||
"class trying to cross the road. The self-driving car algo would then\n",
|
||||
"opt for the hitting the small folks instead of the monstertruck, since\n",
|
||||
"the likelihood of surving a collision with our future citizens, is\n",
|
||||
"much higher.\n",
|
||||
"\n",
|
||||
"This leads to serious ethical aspects. Why should we opt for such an\n",
|
||||
"option? Who decides and who is entitled to make such choices? Keep in\n",
|
||||
"mind that many of the algorithms you will encounter in this series of\n",
|
||||
"lectures or hear about later, are indeed based on simple programming\n",
|
||||
"instructions. And you are very likely to be one of the people who may\n",
|
||||
"end up writing such a code. Thus, developing a sound ethical attitude\n",
|
||||
"to what we do, an approach well beyond the simple mechanistic one of\n",
|
||||
"making our science available and reproducible, is much needed. The\n",
|
||||
"example of the self-driving cars is just one of infinitely many cases\n",
|
||||
"where we have to make choices. When you analyze data on economic\n",
|
||||
"inequalities, who guarantees that you are not weighting some data in a\n",
|
||||
"particular way, perhaps because you dearly want a specific conclusion\n",
|
||||
"which may support your political views? Or what about the recent\n",
|
||||
"claims that a famous IT company like Apple has a sexist bias on the\n",
|
||||
"their recently [launched credit card](https://qz.com/1748321/the-role-of-goldman-sachs-algorithms-in-the-apple-credit-card-scandal/)?\n",
|
||||
"\n",
|
||||
"We do not have the answers here, nor will we venture into a deeper\n",
|
||||
"discussions of these aspects, but we want you think over these topics\n",
|
||||
"in a more overarching way. A statistical data analysis with its dry\n",
|
||||
"numbers and graphs meant to guide the eye, does not necessarily\n",
|
||||
"reflect the truth, whatever that is. As a scientist, and after a\n",
|
||||
"university education, you are supposedly a better citizen, with an\n",
|
||||
"improved critical view and understanding of the scientific method, and\n",
|
||||
"perhaps some deeper understanding of the ethics of science at\n",
|
||||
"large. Use these insights. Be a critical citizen. You owe it to our\n",
|
||||
"society."
|
||||
]
|
||||
},
|
||||
{
|
||||
"cell_type": "markdown",
|
||||
"metadata": {},
|
||||
"source": [
|
||||
"\n",
|
||||
"```{toctree}\n",
|
||||
":hidden:\n",
|
||||
":titlesonly:\n",
|
||||
":numbered: \n",
|
||||
"\n",
|
||||
"gettingstarted.ipynb\n",
|
||||
"regression.ipynb\n",
|
||||
"```\n"
|
||||
]
|
||||
}
|
||||
],
|
||||
"metadata": {},
|
||||
"nbformat": 4,
|
||||
"nbformat_minor": 2
|
||||
}
|
||||
@@ -0,0 +1,349 @@
|
||||
<!-- dom:TITLE: Introduction to Applied Data Analysis and Machine Learning -->
|
||||
# Introduction to Applied Data Analysis and Machine Learning
|
||||
<!-- dom:AUTHOR: Morten Hjorth-Jensen at Department of Physics, University of Oslo & Department of Physics and Astronomy and National Superconducting Cyclotron Laboratory, Michigan State University -->
|
||||
<!-- Author: -->
|
||||
**Morten Hjorth-Jensen**, Department of Physics, University of Oslo and Department of Physics and Astronomy and National Superconducting Cyclotron Laboratory, Michigan State University
|
||||
|
||||
Date: **Nov 19, 2019**
|
||||
|
||||
Copyright 1999-2019, Morten Hjorth-Jensen. Released under CC Attribution-NonCommercial 4.0 license
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
## Introduction
|
||||
|
||||
During the last two decades there has been a swift and amazing
|
||||
development of Machine Learning techniques and algorithms that impact
|
||||
many areas in not only Science and Technology but also the Humanities,
|
||||
Social Sciences, Medicine, Law, indeed, almost all possible
|
||||
disciplines. The applications are incredibly many, from self-driving
|
||||
cars to solving high-dimensional differential equations or complicated
|
||||
quantum mechanical many-body problems. Machine Learning is perceived
|
||||
by many as one of the main disruptive techniques nowadays.
|
||||
|
||||
Statistics, Data science and Machine Learning form important
|
||||
fields of research in modern science. They describe how to learn and
|
||||
make predictions from data, as well as allowing us to extract
|
||||
important correlations about physical process and the underlying laws
|
||||
of motion in large data sets. The latter, big data sets, appear
|
||||
frequently in essentially all disciplines, from the traditional
|
||||
Science, Technology, Mathematics and Engineering fields to Life
|
||||
Science, Law, education research, the Humanities and the Social
|
||||
Sciences.
|
||||
|
||||
It has become more
|
||||
and more common to see research projects on big data in for example
|
||||
the Social Sciences where extracting patterns from complicated survey
|
||||
data is one of many research directions. Having a solid grasp of data
|
||||
analysis and machine learning is thus becoming central to scientific
|
||||
computing in many fields, and competences and skills within the fields
|
||||
of machine learning and scientific computing are nowadays strongly
|
||||
requested by many potential employers. The latter cannot be
|
||||
overstated, familiarity with machine learning has almost become a
|
||||
prerequisite for many of the most exciting employment opportunities,
|
||||
whether they are in bioinformatics, life science, physics or finance,
|
||||
in the private or the public sector. This author has had several
|
||||
students or met students who have been hired recently based on their
|
||||
skills and competences in scientific computing and data science, often
|
||||
with marginal knowledge of machine learning.
|
||||
|
||||
Machine learning is a subfield of computer science, and is closely
|
||||
related to computational statistics. It evolved from the study of
|
||||
pattern recognition in artificial intelligence (AI) research, and has
|
||||
made contributions to AI tasks like computer vision, natural language
|
||||
processing and speech recognition. Many of the methods we will study are also
|
||||
strongly rooted in basic mathematics and physics research.
|
||||
|
||||
Ideally, machine learning represents the science of giving computers
|
||||
the ability to learn without being explicitly programmed. The idea is
|
||||
that there exist generic algorithms which can be used to find patterns
|
||||
in a broad class of data sets without having to write code
|
||||
specifically for each problem. The algorithm will build its own logic
|
||||
based on the data. You should however always keep in mind that
|
||||
machines and algorithms are to a large extent developed by humans. The
|
||||
insights and knowledge we have about a specific system, play a central
|
||||
role when we develop a specific machine learning algorithm.
|
||||
|
||||
Machine learning is an extremely rich field, in spite of its young
|
||||
age. The increases we have seen during the last three decades in
|
||||
computational capabilities have been followed by developments of
|
||||
methods and techniques for analyzing and handling large date sets,
|
||||
relying heavily on statistics, computer science and mathematics. The
|
||||
field is rather new and developing rapidly. Popular software packages
|
||||
written in Python for machine learning like
|
||||
[Scikit-learn](http://scikit-learn.org/stable/),
|
||||
[Tensorflow](https://www.tensorflow.org/),
|
||||
[PyTorch](http://pytorch.org/) and [Keras](https://keras.io/), all
|
||||
freely available at their respective GitHub sites, encompass
|
||||
communities of developers in the thousands or more. And the number of
|
||||
code developers and contributors keeps increasing. Not all the
|
||||
algorithms and methods can be given a rigorous mathematical
|
||||
justification, opening up thereby large rooms for experimenting and
|
||||
trial and error and thereby exciting new developments. However, a
|
||||
solid command of linear algebra, multivariate theory, probability
|
||||
theory, statistical data analysis, understanding errors and Monte
|
||||
Carlo methods are central elements in a proper understanding of many
|
||||
of algorithms and methods we will discuss.
|
||||
|
||||
|
||||
<!-- !split -->
|
||||
## Learning outcomes
|
||||
|
||||
These sets of lectures aim at giving you an overview of central aspects of
|
||||
statistical data analysis as well as some of the central algorithms
|
||||
used in machine learning. We will introduce a variety of central
|
||||
algorithms and methods essential for studies of data analysis and
|
||||
machine learning.
|
||||
|
||||
Hands-on projects and experimenting with data and algorithms plays a central role in
|
||||
these lectures, and our hope is, through the various
|
||||
projects and exercises, to expose you to fundamental
|
||||
research problems in these fields, with the aim to reproduce state of
|
||||
the art scientific results. You will learn to develop and
|
||||
structure codes for studying these systems, get acquainted with
|
||||
computing facilities and learn to handle large scientific projects. A
|
||||
good scientific and ethical conduct is emphasized throughout the
|
||||
course. More specifically, you will
|
||||
|
||||
1. Learn about basic data analysis, Bayesian statistics, Monte Carlo methods, data optimization and machine learning;
|
||||
|
||||
2. Be capable of extending the acquired knowledge to other systems and cases;
|
||||
|
||||
3. Have an understanding of central algorithms used in data analysis and machine learning;
|
||||
|
||||
4. Gain knowledge of central aspects of Monte Carlo methods, Markov chains, Gibbs samplers and their possible applications, from numerical integration to simulation of stock markets;
|
||||
|
||||
5. Understand methods for regression and classification;
|
||||
|
||||
6. Learn about neural network, genetic algorithms and Boltzmann machines;
|
||||
|
||||
7. Work on numerical projects to illustrate the theory. The projects play a central role and you are expected to know modern programming languages like Python or C++, in addition to a basic knowledge of linear algebra (typically taught during the first one or two years of undergraduate studies).
|
||||
|
||||
There are several topics we will cover here, spanning from
|
||||
statistical data analysis and its basic concepts such as expectation
|
||||
values, variance, covariance, correlation functions and errors, via
|
||||
well-known probability distribution functions like the uniform
|
||||
distribution, the binomial distribution, the Poisson distribution and
|
||||
simple and multivariate normal distributions to central elements of
|
||||
Bayesian statistics and modeling. We will also remind the reader about
|
||||
central elements from linear algebra and standard methods based on
|
||||
linear algebra used to optimize (minimize) functions (the family of gradient descent methods)
|
||||
and the Singular-value decomposition and
|
||||
least square methods for parameterizing data.
|
||||
|
||||
We will also cover Monte Carlo methods, Markov chains, well-known
|
||||
algorithms for sampling stochastic events like the Metropolis-Hastings
|
||||
and Gibbs sampling methods. An important aspect of all our
|
||||
calculations is a proper estimation of errors. Here we will also
|
||||
discuss famous resampling techniques like the blocking, the bootstrapping
|
||||
and the jackknife methods and the infamous bias-variance tradeoff.
|
||||
|
||||
The second part of the material covers several algorithms used in
|
||||
machine learning.
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
## Types of Machine Learning
|
||||
|
||||
|
||||
The approaches to machine learning are many, but are often split into
|
||||
two main categories. In *supervised learning* we know the answer to a
|
||||
problem, and let the computer deduce the logic behind it. On the other
|
||||
hand, *unsupervised learning* is a method for finding patterns and
|
||||
relationship in data sets without any prior knowledge of the system.
|
||||
Some authours also operate with a third category, namely
|
||||
*reinforcement learning*. This is a paradigm of learning inspired by
|
||||
behavioral psychology, where learning is achieved by trial-and-error,
|
||||
solely from rewards and punishment.
|
||||
|
||||
Another way to categorize machine learning tasks is to consider the
|
||||
desired output of a system. Some of the most common tasks are:
|
||||
|
||||
* Classification: Outputs are divided into two or more classes. The goal is to produce a model that assigns inputs into one of these classes. An example is to identify digits based on pictures of hand-written ones. Classification is typically supervised learning.
|
||||
|
||||
* Regression: Finding a functional relationship between an input data set and a reference data set. The goal is to construct a function that maps input data to continuous output values.
|
||||
|
||||
* Clustering: Data are divided into groups with certain common traits, without knowing the different groups beforehand. It is thus a form of unsupervised learning.
|
||||
|
||||
The methods we cover have three main topics in common, irrespective of
|
||||
whether we deal with supervised or unsupervised learning. The first
|
||||
ingredient is normally our data set (which can be subdivided into
|
||||
training and test data), the second item is a model which is normally
|
||||
a function of some parameters. The model reflects our knowledge of
|
||||
the system (or lack thereof). As an example, if we know that our data
|
||||
show a behavior similar to what would be predicted by a polynomial,
|
||||
fitting our data to a polynomial of some degree would then determin
|
||||
our model.
|
||||
|
||||
The last ingredient is a so-called **cost**
|
||||
function which allows us to present an estimate on how good our model
|
||||
is in reproducing the data it is supposed to train.
|
||||
|
||||
Here we will build our machine learning approach on elements of the
|
||||
statistical foundation discussed above, with elements from data
|
||||
analysis, stochastic processes etc. We will discuss the following
|
||||
machine learning algorithms
|
||||
|
||||
1. Linear regression and its variants
|
||||
|
||||
2. Decision tree algorithms, from single trees to random forests
|
||||
|
||||
3. Bayesian statistics and regression
|
||||
|
||||
4. Support vector machines and finally various variants of
|
||||
|
||||
5. Artifical neural networks and deep learning, including convolutional neural networks and Bayesian neural networks
|
||||
|
||||
6. Networks for unsupervised learning using for example reduced Boltzmann machines.
|
||||
|
||||
## Choice of programming language
|
||||
|
||||
Python plays nowadays a central role in the development of machine
|
||||
learning techniques and tools for data analysis. In particular, seen
|
||||
the wealth of machine learning and data analysis libraries written in
|
||||
Python, easy to use libraries with immediate visualization(and not the
|
||||
least impressive galleries of existing examples), the popularity of the
|
||||
Jupyter notebook framework with the possibility to run **R** codes or
|
||||
compiled programs written in C++, and much more made our choice of
|
||||
programming language for this series of lectures easy. However,
|
||||
since the focus here is not only on using existing Python libraries such
|
||||
as **Scikit-Learn** or **Tensorflow**, but also on developing your own
|
||||
algorithms and codes, we will as far as possible present many of these
|
||||
algorithms either as a Python codes or C++ or Fortran (or other languages) codes.
|
||||
|
||||
The reason we also focus on compiled languages like C++ (or
|
||||
Fortran), is that Python is still notoriously slow when we do not
|
||||
utilize highly streamlined computational libraries like
|
||||
[Lapack](http://www.netlib.org/lapack/) or other numerical libraries
|
||||
written in compiled languages (many of these libraries are written in
|
||||
Fortran). Although a project like [Numba](https://numba.pydata.org/)
|
||||
holds great promise for speeding up the unrolling of lengthy loops, C++
|
||||
and Fortran are presently still the performance winners. Numba gives
|
||||
you potentially the power to speed up your applications with high
|
||||
performance functions written directly in Python. In particular,
|
||||
array-oriented and math-heavy Python code can achieve similar
|
||||
performance to C, C++ and Fortran. However, even with these speed-ups,
|
||||
for codes involving heavy Markov Chain Monte Carlo analyses and
|
||||
optimizations of cost functions, C++/C or Fortran codes tend to
|
||||
outperform Python codes.
|
||||
|
||||
Presently thus, the community tends to let
|
||||
code written in C++/C or Fortran do the heavy duty numerical
|
||||
number crunching and leave the post-analysis of the data to the above
|
||||
mentioned Python modules or software packages. However, with the developments taking place in for example the Python community, and seen
|
||||
the changes during the last decade, the above situation may change swiftly in the not too distant future.
|
||||
|
||||
Many of the examples we discuss in this series of lectures come with
|
||||
existing data files or provide code examples which produce the data to
|
||||
be analyzed. Most of the applications we will discuss deal with
|
||||
small data sets (less than a terabyte of information) and can easily
|
||||
be analyzed and tested on standard off the shelf laptops you find in general
|
||||
stores.
|
||||
|
||||
## Data handling, machine learning and ethical aspects
|
||||
|
||||
In most of the cases we will study, we will either generate the data
|
||||
to analyze ourselves (both for supervised learning and unsupervised
|
||||
learning) or we will recur again and again to data present in say
|
||||
**Scikit-Learn** or **Tensorflow**. Many of the examples we end up
|
||||
dealing with are from a privacy and data protection point of view,
|
||||
rather inoccuous and boring results of numerical
|
||||
calculations. However, this does not hinder us from developing a sound
|
||||
ethical attitude to the data we use, how we analyze the data and how
|
||||
we handle the data.
|
||||
|
||||
The most immediate and simplest possible ethical aspects deal with our
|
||||
approach to the scientific process. Nowadays, with version control
|
||||
software like [Git](https://git-scm.com/) and various online
|
||||
repositories like [Github](https://github.com/),
|
||||
[Gitlab](https://about.gitlab.com/) etc, we can easily make our codes
|
||||
and data sets we have used, freely and easily accessible to a wider
|
||||
community. This helps us almost automagically in making our science
|
||||
reproducible. The large open-source development communities involved
|
||||
in say [Scikit-Learn](http://scikit-learn.org/stable/),
|
||||
[Tensorflow](https://www.tensorflow.org/),
|
||||
[PyTorch](http://pytorch.org/) and [Keras](https://keras.io/), are
|
||||
all excellent examples of this. The codes can be tested and improved
|
||||
upon continuosly, helping thereby our scientific community at large in
|
||||
developing data analysis and machine learning tools. It is much
|
||||
easier today to gain traction and acceptance for making your science
|
||||
reproducible. From a societal stand, this is an important element
|
||||
since many of the developers are employees of large public institutions like
|
||||
universities and research labs. Our fellow taxpayers do deserve to get
|
||||
something back for their bucks.
|
||||
|
||||
However, this more mechanical aspect of the ethics of science (in
|
||||
particular the reproducibility of scientific results) is something
|
||||
which is obvious and everybody should do so as part of the dialectics of
|
||||
science. The fact that many scientists are not willing to share their codes or
|
||||
data is detrimental to the scientific discourse.
|
||||
|
||||
Before we proceed, we should add a disclaimer. Even though
|
||||
we may dream of computers developing some kind of higher learning
|
||||
capabilities, at the end (even if the artificial intelligence
|
||||
community keeps touting our ears full of fancy futuristic avenues), it is we, yes you reading these lines,
|
||||
who end up constructing and instructing, via various algorithms, the
|
||||
machine learning approaches. Self-driving cars for example, rely on sofisticated
|
||||
programs which take into account all possible situations a car can
|
||||
encounter. In addition, extensive usage of training data from GPS
|
||||
information, maps etc, are typically fed into the software for
|
||||
self-driving cars. Adding to this various sensors and cameras that
|
||||
feed information to the programs, there are zillions of ethical issues
|
||||
which arise from this.
|
||||
|
||||
For self-driving cars, where basically many of the standard machine
|
||||
learning algorithms discussed here enter into the codes, at a certain
|
||||
stage we have to make choices. Yes, we , the lads and lasses who wrote
|
||||
a program for a specific brand of a self-driving car. As an example,
|
||||
all carmakers have as their utmost priority the security of the
|
||||
driver and the accompanying passengers. A famous European carmaker, which is
|
||||
one of the leaders in the market of self-driving cars, had **if**
|
||||
statements of the following type: suppose there are two obstacles in
|
||||
front of you and you cannot avoid to collide with one of them. One of
|
||||
the obstacles is a monstertruck while the other one is a kindergarten
|
||||
class trying to cross the road. The self-driving car algo would then
|
||||
opt for the hitting the small folks instead of the monstertruck, since
|
||||
the likelihood of surving a collision with our future citizens, is
|
||||
much higher.
|
||||
|
||||
This leads to serious ethical aspects. Why should we opt for such an
|
||||
option? Who decides and who is entitled to make such choices? Keep in
|
||||
mind that many of the algorithms you will encounter in this series of
|
||||
lectures or hear about later, are indeed based on simple programming
|
||||
instructions. And you are very likely to be one of the people who may
|
||||
end up writing such a code. Thus, developing a sound ethical attitude
|
||||
to what we do, an approach well beyond the simple mechanistic one of
|
||||
making our science available and reproducible, is much needed. The
|
||||
example of the self-driving cars is just one of infinitely many cases
|
||||
where we have to make choices. When you analyze data on economic
|
||||
inequalities, who guarantees that you are not weighting some data in a
|
||||
particular way, perhaps because you dearly want a specific conclusion
|
||||
which may support your political views? Or what about the recent
|
||||
claims that a famous IT company like Apple has a sexist bias on the
|
||||
their recently [launched credit card](https://qz.com/1748321/the-role-of-goldman-sachs-algorithms-in-the-apple-credit-card-scandal/)?
|
||||
|
||||
We do not have the answers here, nor will we venture into a deeper
|
||||
discussions of these aspects, but we want you think over these topics
|
||||
in a more overarching way. A statistical data analysis with its dry
|
||||
numbers and graphs meant to guide the eye, does not necessarily
|
||||
reflect the truth, whatever that is. As a scientist, and after a
|
||||
university education, you are supposedly a better citizen, with an
|
||||
improved critical view and understanding of the scientific method, and
|
||||
perhaps some deeper understanding of the ethics of science at
|
||||
large. Use these insights. Be a critical citizen. You owe it to our
|
||||
society.
|
||||
|
||||
|
||||
```{toctree}
|
||||
:hidden:
|
||||
:titlesonly:
|
||||
:numbered:
|
||||
|
||||
gettingstarted.ipynb
|
||||
regression.ipynb
|
||||
```
|
||||
|
After Width: | Height: | Size: 15 KiB |
|
After Width: | Height: | Size: 24 KiB |
|
After Width: | Height: | Size: 95 KiB |
|
After Width: | Height: | Size: 34 KiB |
|
After Width: | Height: | Size: 10 KiB |
|
After Width: | Height: | Size: 9.1 KiB |
|
After Width: | Height: | Size: 25 KiB |
|
After Width: | Height: | Size: 11 KiB |