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E-raamat: Data Science and Machine Learning: Mathematical and Statistical Methods

(University of Wales Trinity Saint David, Hong Kong)
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"This textbook is a well-rounded, rigorous, and informative work presenting the mathematics behind modern machine learning techniques. It hits all the right notes: the choice of topics is up-to-date and perfect for a course on data science for mathematics students at the advanced undergraduate or early graduate level. This book fills a sorely-needed gap in the existing literature by not sacrificing depth for breadth, presenting proofs of major theorems and subsequent derivations, as well as providing a copious amount of Python code. I only wish a book like this had been around when I first began my journey!" -Nicholas Hoell, University of Toronto

"This is a well-written book that provides a deeper dive into data-scientific methods than many introductory texts. The writing is clear, and the text logically builds up regularization, classification, and decision trees. Compared to its probable competitors, it carves out a unique niche.

-Adam Loy, Carleton College

The purpose of Data Science and Machine Learning: Mathematical and Statistical Methods is to provide an accessible, yet comprehensive textbook intended for students interested in gaining a better understanding of the mathematics and statistics that underpin the rich variety of ideas and machine learning algorithms in data science.

Key Features:

  • Focuses on mathematical understanding.
  • Presentation is self-contained, accessible, and comprehensive.
  • Extensive list of exercises and worked-out examples.
  • Many concrete algorithms with Python code.
    • Full color throughout.
  • The Authors:

    Dirk P. Kroese, PhD, is a Professor of Mathematics and Statistics at The University of Queensland. He has published over 120 articles and five books in a wide range of areas in mathematics, statistics, data science, machine learning, and Monte Carlo methods. He is a pioneer of the well-known Cross-Entropy method—an adaptive Monte Carlo technique, which is being used around the world to help solve difficult estimation and optimization problems in science, engineering, and finance.

    Zdravko Botev

    , PhD

    , is an Australian Mathematical Science Institute Lecturer in Data Science and Machine Learning with an appointment at the University of New South Wales in Sydney, Australia. He is the recipient of the 2018 Christopher Heyde Medal of the Australian Academy of Science for distinguished research in the Mathematical Sciences.

    Thomas Taimre

    , PhD

    , is a Senior Lecturer of Mathematics and Statistics at The University of Queensland. His research interests range from applied probability and Monte Carlo methods to applied physics and the remarkably universal self-mixing effect in lasers. He has published over 100 articles, holds a patent, and is the coauthor of Handbook of Monte Carlo Methods (Wiley).

    Radislav Vaisman, PhD, is a Lecturer of Mathematics and Statistics at The University of Queensland. His research interests lie at the intersection of applied probability, machine learning, and computer science. He has published over 20 articles and two books.

    Arvustused

    "The first impression when handling and opening this book at a random page is superb. A big format (A4) and heavy weight, because the paper quality is high, along with a spectacular style and large font, much colour and many plots, and blocks of python code enhanced in colour boxes. This makes the book attractive and easy to study...The book is a very well-designed data science course, with mathematical rigor in mind. Key concepts are highlighted in red in the margins, often with links to other parts of the book...This book will be excellent for those that want to build a strong mathematical foundation for their knowledge on the main machine learning techniques, and at the same time get python recipes on how to perform the analyses for worked examples." - Victor Moreno, ISCB News, December 2020 'The way the Python code was written follows the algorithm closely. This is very useful for readers who wish to understand the rationale and flow of the background knowledge. In each chapter, the authors recommend further readings for those who plan to learn advanced topics. Another useful part is that the Python implementation of different statistical learning algorithms is discussed throughout the book. At the end of each chapter, extensive exercises are designed. These exercises can help readers understand the content better. This book would be a good reference for readers who are already experienced with statistical analysis and are looking for theoretical background knowledge of the algorithms.'

    -Yin-Ju Lai and Chuhsing Kate Hsiao, Biometrics, vol 77, issue 4, 2021

    Preface xiii
    Notation xvii
    1 Importing, Summarizing, and Visualizing Data
    1(18)
    1.1 Introduction
    1(2)
    1.2 Structuring Features According to Type
    3(3)
    1.3 Summary Tables
    6(1)
    1.4 Summary Statistics
    7(1)
    1.5 Visualizing Data
    8(7)
    1.5.1 Plotting Qualitative Variables
    9(1)
    1.5.2 Plotting Quantitative Variables
    9(3)
    1.5.3 Data Visualization in a Bivariate Setting
    12(3)
    Exercises
    15(4)
    2 Statistical Learning
    19(48)
    2.1 Introduction
    19(1)
    2.2 Supervised and Unsupervised Learning
    20(3)
    2.3 Training and Test Loss
    23(8)
    2.4 Tradeoffs in Statistical Learning
    31(4)
    2.5 Estimating Risk
    35(5)
    2.5.1 In-Sample Risk
    35(2)
    2.5.2 Cross-Validation
    37(3)
    2.6 Modeling Data
    40(4)
    2.7 Multivariate Normal Models
    44(2)
    2.8 Normal Linear Models
    46(1)
    2.9 Bayesian Learning
    47(11)
    Exercises
    58(9)
    3 Monte Carlo Methods
    67(54)
    3.1 Introduction
    67(1)
    3.2 Monte Carlo Sampling
    68(17)
    3.2.1 Generating Random Numbers
    68(1)
    3.2.2 Simulating Random Variables
    69(5)
    3.2.3 Simulating Random Vectors and Processes
    74(2)
    3.2.4 Resampling
    76(2)
    3.2.5 Markov Chain Monte Carlo
    78(7)
    3.3 Monte Carlo Estimation
    85(11)
    3.3.1 Crude Monte Carlo
    85(3)
    3.3.2 Bootstrap Method
    88(4)
    3.3.3 Variance Reduction
    92(4)
    3.4 Monte Carlo for Optimization
    96(17)
    3.4.1 Simulated Annealing
    96(4)
    3.4.2 Cross-Entropy Method
    100(3)
    3.4.3 Splitting for Optimization
    103(2)
    3.4.4 Noisy Optimization
    105(8)
    Exercises
    113(8)
    4 Unsupervised Learning
    121(46)
    4.1 Introduction
    121(1)
    4.2 Risk and Loss in Unsupervised Learning
    122(6)
    4.3 Expectation-Maximization (EM) Algorithm
    128(3)
    4.4 Empirical Distribution and Density Estimation
    131(4)
    4.5 Clustering via Mixture Models
    135(7)
    4.5.1 Mixture Models
    135(2)
    4.5.2 EM Algorithm for Mixture Models
    137(5)
    4.6 Clustering via Vector Quantization
    142(5)
    4.6.1 tf-Means
    144(2)
    4.6.2 Clustering via Continuous Multiextremal Optimization
    146(1)
    4.7 Hierarchical Clustering
    147(6)
    4.8 Principal Component Analysis (PCA)
    153(7)
    4.8.1 Motivation: Principal Axes of an Ellipsoid
    153(2)
    4.8.2 PCA and Singular Value Decomposition (SVD)
    155(5)
    Exercises
    160(7)
    5 Regression
    167(48)
    5.1 Introduction
    167(2)
    5.2 Linear Regression
    169(2)
    5.3 Analysis via Linear Models
    171(11)
    5.3.1 Parameter Estimation
    171(1)
    5.3.2 Model Selection and Prediction
    172(1)
    5.3.3 Cross-Validation and Predictive Residual Sum of Squares
    173(2)
    5.3.4 In-Sample Risk and Akaike Information Criterion
    175(2)
    5.3.5 Categorical Features
    177(3)
    5.3.6 Nested Models
    180(1)
    5.3.7 Coefficient of Determination
    181(1)
    5.4 Inference for Normal Linear Models
    182(6)
    5.4.1 Comparing Two Normal Linear Models
    183(3)
    5.4.2 Confidence and Prediction Intervals
    186(2)
    5.5 Nonlinear Regression Models
    188(3)
    5.6 Linear Models in Python
    191(13)
    5.6.1 Modeling
    191(2)
    5.6.2 Analysis
    193(2)
    5.6.3 Analysis of Variance (ANOVA)
    195(3)
    5.6.4 Confidence and Prediction Intervals
    198(1)
    5.6.5 Model Validation
    198(1)
    5.6.6 Variable Selection
    199(5)
    5.7 Generalized Linear Models
    204(3)
    Exercises
    207(8)
    6 Regularization and Kernel Methods
    215(36)
    6.1 Introduction
    215(1)
    6.2 Regularization
    216(6)
    6.3 Reproducing Kernel Hilbert Spaces
    222(2)
    6.4 Construction of Reproducing Kernels
    224(6)
    6.4.1 Reproducing Kernels via Feature Mapping
    224(1)
    6.4.2 Kernels from Characteristic Functions
    225(2)
    6.4.3 Reproducing Kernels Using Orthonormal Features
    227(2)
    6.4.4 Kernels from Kernels
    229(1)
    6.5 Representer Theorem
    230(5)
    6.6 Smoothing Cubic Splines
    235(3)
    6.7 Gaussian Process Regression
    238(4)
    6.8 Kernel PCA
    242(3)
    Exercises
    245(6)
    7 Classification
    251(36)
    7.1 Introduction
    251(2)
    7.2 Classification Metrics
    253(4)
    7.3 Classification via Bayes' Rule
    257(2)
    7.4 Linear and Quadratic Discriminant Analysis
    259(7)
    7.5 Logistic Regression and Softmax Classification
    266(2)
    7.6 k-Nearest Neighbors Classification
    268(1)
    7.7 Support Vector Machine
    269(8)
    7.8 Classification with Scikit-Learn
    277(2)
    Exercises
    279(8)
    8 Decision Trees and Ensemble Methods
    287(36)
    8.1 Introduction
    287(2)
    8.2 Top-Down Construction of Decision Trees
    289(9)
    8.2.1 Regional Prediction Functions
    290(1)
    8.2.2 Splitting Rules
    291(1)
    8.2.3 Termination Criterion
    292(2)
    8.2.4 Basic Implementation
    294(4)
    8.3 Additional Considerations
    298(2)
    8.3.1 Binary Versus Non-Binary Trees
    298(1)
    8.3.2 Data Preprocessing
    298(1)
    8.3.3 Alternative Splitting Rules
    298(1)
    8.3.4 Categorical Variables
    299(1)
    8.3.5 Missing Values
    299(1)
    8.4 Controlling the Tree Shape
    300(5)
    8.4.1 Cost-Complexity Pruning
    303(1)
    8.4.2 Advantages and Limitations of Decision Trees
    304(1)
    8.5 Bootstrap Aggregation
    305(4)
    8.6 Random Forests
    309(4)
    8.7 Boosting
    313(8)
    Exercises
    321(2)
    9 Deep Learning
    323(32)
    9.1 Introduction
    323(3)
    9.2 Feed-Forward Neural Networks
    326(4)
    9.3 Back-Propagation
    330(4)
    9.4 Methods for Training
    334(6)
    9.4.1 Steepest Descent
    334(1)
    9.4.2 Levenberg-Marquardt Method
    335(1)
    9.4.3 Limited-Memory BFGS Method
    336(2)
    9.4.4 Adaptive Gradient Methods
    338(2)
    9.5 Examples in Python
    340(9)
    9.5.1 Simple Polynomial Regression
    340(4)
    9.5.2 Image Classification
    344(5)
    Exercises
    349(6)
    A Linear Algebra and Functional Analysis
    355(42)
    A.1 Vector Spaces, Bases, and Matrices
    355(5)
    A.2 Inner Product
    360(1)
    A.3 Complex Vectors and Matrices
    361(1)
    A.4 Orthogonal Projections
    362(1)
    A.5 Eigenvalues and Eigenvectors
    363(5)
    A.5.2 Left-and Right-Eigenvectors
    364(4)
    A.6 Matrix Decompositions
    368(16)
    A.6.2 (P)LU Decomposition
    368(2)
    A.6.2 Woodbury Identity
    370(3)
    A.6.3 Cholesky Decomposition
    373(2)
    A.6.4 QR Decomposition and the Gram-Schmidt Procedure
    375(1)
    A.6.5 Singular Value Decomposition
    376(3)
    A.6.6 Solving Structured Matrix Equations
    379(5)
    A.7 Functional Analysis
    384(6)
    A.8 Fourier Transforms
    390(7)
    A.8.2 Discrete Fourier Transform
    392(2)
    A.8.2 Fast Fourier Transform
    394(3)
    B Multivariate Differentiation and Optimization
    397(24)
    B.1 Multivariate Differentiation
    397(5)
    B.1.1 Taylor Expansion
    400(1)
    B.1.2 Chain Rule
    400(2)
    B.2 Optimization Theory
    402(6)
    B.2.2 Convexity and Optimization
    403(3)
    B.2.2 Lagrangian Method
    406(1)
    B.2.3 Duality
    407(1)
    B.3 Numerical Root-Finding and Minimization
    408(7)
    B.3.2 Newton-Like Methods
    409(2)
    B.3.2 Quasi-Newton Methods
    411(2)
    B.3.3 Normal Approximation Method
    413(1)
    B.3.4 Nonlinear Least Squares
    414(1)
    B.4 Constrained Minimization via Penalty Functions
    415(6)
    C Probability and Statistics
    421(42)
    C.1 Random Experiments and Probability Spaces
    421(1)
    C.2 Random Variables and Probability Distributions
    422(4)
    C.3 Expectation
    426(1)
    C.4 Joint Distributions
    427(1)
    C.5 Conditioning and Independence
    428(3)
    C.5.1 Conditional Probability
    428(1)
    C.5.2 Independence
    428(1)
    C.5.3 Expectation and Covariance
    429(1)
    C.5.4 Conditional Density and Conditional Expectation
    430(1)
    C.6 Functions of Random Variables
    431(3)
    C.7 Multivariate Normal Distribution
    434(5)
    C.8 Convergence of Random Variables
    439(6)
    C.9 Law of Large Numbers and Central Limit Theorem
    445(6)
    C.10 Markov Chains
    451(2)
    C.11 Statistics
    453(1)
    C.12 Estimation
    454(3)
    C.12.1 Method of Moments
    455(1)
    C.12.2 Maximum Likelihood Method
    456(1)
    C.13 Confidence Intervals
    457(1)
    C.14 Hypothesis Testing
    458(5)
    D Python Primer
    463(32)
    D.1 Getting Started
    463(2)
    D.2 Python Objects
    465(1)
    D.3 Types and Operators
    466(2)
    D.4 Functions and Methods
    468(1)
    D.5 Modules
    469(2)
    D.6 Flow Control
    471(1)
    D.7 Iteration
    472(1)
    D.8 Classes
    473(2)
    D.9 Files
    475(3)
    D.10 NumPy
    478(5)
    D.10.1 Creating and Shaping Arrays
    478(2)
    D.10.2 Slicing
    480(1)
    D.10.3 Array Operations
    480(2)
    D.l0.4 Random Numbers
    482(1)
    D.11 Matplotlib
    483(2)
    D.11.1 Creating a Basic Plot
    483(2)
    D.12 Pandas
    485(5)
    D.12.1 Series and DataFrame
    485(2)
    D.12.2 Manipulating Data Frames
    487(1)
    D.12.3 Extracting Information
    488(2)
    D.12.4 Plotting
    490(1)
    D.13 Scikit-learn
    490(3)
    D.13.1 Partitioning the Data
    491(1)
    D.13.2 Standardization
    491(1)
    D.13.3 Fitting and Prediction
    492(1)
    D.13.4 Testing the Model
    492(1)
    D.14 System Calls, URL Access, and Speed-Up
    493(2)
    Bibliography 495(8)
    Index 503
    Dirk P. Kroese, PhD, is a Professor of Mathematics and Statistics at The University of Queensland. He has published over 120 articles and five books in a wide range of areas in mathematics, statistics, data science, machine learning, and Monte Carlo methods. He is a pioneer of the well-known Cross-Entropy methodan adaptive Monte Carlo technique, which is being used around the world to help solve difficult estimation and optimization problems in science, engineering, and finance.

    Zdravko Botev, PhD, is an Australian Mathematical Science Institute Lecturer in Data Science and Machine Learning with an appointment at the University of New South Wales in Sydney, Australia. He is the recipient of the 2018 Christopher Heyde Medal of the Australian Academy of Science for distinguished research in the Mathematical Sciences.

    Thomas Taimre, PhD, is a Senior Lecturer of Mathematics and Statistics at The University of Queensland. His research interests range from applied probability and Monte Carlo methods to applied physics and the remarkably universal self-mixing effect in lasers. He has published over 100 articles, holds a patent, and is the coauthor of Handbook of Monte Carlo Methods (Wiley).

    Radislav Vaisman, PhD, is a Lecturer of Mathematics and Statistics at The University of Queensland. His research interests lie at the intersection of applied probability, machine learning, and computer science. He has published over 20 articles and two books.