Machine Learning A Bayesian and Optimization Perspective
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1 Machine Learning A Bayesian and Optimization Perspective Sergios Theodoridis AMSTERDAM BOSTON HEIDELBERG LONDON NEW YORK OXFORD PARIS SAN DIEGO SAN FRANCISCO SINGAPORE SYDNEY TOKYO Academic Press is an imprint of Elsevier
2 Preface Acknowledgments Notation xvii xix xxi CHAPTER 1 Introduction i 1.1 What Machine Learning is About Classification Regression Structure and a Road Map of the Book 5 References 8 CHAPTER 2 Probability and Stochastic Processes Introduction Probability and Random Variables Probability Discrete Random Variables Continuous Random Variables Mean and Variance Transformation of Random Variables Examples of Distributions Discrete Variables Continuous Variables Stochastic Processes First and Second Order Statistics Stationarity and Ergodicity Power Spectral Density Autoregressive Models Information Theory Discrete Random Variables Continuous Random Variables Stochastic Convergence 48 Problems 49 References 51 CHAPTER 3 Learning in Parametric Modeling: Basic Concepts and Directions Introduction Parameter Estimation: The Deterministic Point of View 54 V
3 vi 3.3 Linear Regression Classification Biased Versus Unbiased Estimation Biased or Unbiased Estimation? The Cramer-Rao Lower Bound Sufficient Statistic Regularization The Bias-Variance Dilemma Mean-Square Error Estimation Bias-Variance Tradeoff Maximum Likelihood Method Linear Regression: The Nonwhite Gaussian Noise Case Bayesian Inference The Maximum a Posteriori Probability Estimation Method Curse of Dimensionality Validation Expected and Empirical Loss Functions Nonparametric Modeling and Estimation 95 Problems 97 References 102 CHAPTER 4 Mean-Square Error Linear Estimation Introduction Mean-Square Error Linear Estimation: The Normal Equations The Cost Function Surface A Geometric Viewpoint: Orthogonality Condition Extension to Complex-Valued Variables Ill Widely Linear Complex-Valued Estimation Optimizing with Respect to Complex-Valued Variables: Wirtinger Calculus Linear Filtering MSE Linear Filtering: A Frequency Domain Point of View Some Typical Applications Interference Cancellation System Identification Deconvolution: Channel Equalization Algorithmic Aspects: The Levinson and the Lattice-Ladder Algorithms The Lattice-Ladder Scheme Mean-Square Error Estimation of Linear Models The Gauss-Markov Theorem Constrained Linear Estimation: The Beamforming Case 145
4 vii 4.10 Time-Varying Statistics: Kaiman Filtering 148 Problems 154 References 158 CHAPTER 5 Stochastic Gradient Descent: The LMS Algorithm and its Family i6i 5.1 Introduction The Steepest Descent Method Application to the Mean-Square Error Cost Function The Complex-Valued Case Stochastic Approximation The Least-Mean-Squares Adaptive Algorithm Convergence and Steady-State Performance of the LMS in Stationary Environments Cumulative Loss Bounds The Affine Projection Algorithm The Normalized LMS The Complex-Valued Case Relatives of the LMS Simulation Examples Adaptive Decision Feedback Equalization The Linearly Constrained LMS Tracking Performance of the LMS in Nonstationary Environments Distributed Learning: The Distributed LMS Cooperation Strategies The Diffusion LMS Convergence and Steady-State Performance: Some Highlights Consensus-Based Distributed Schemes A Case Study: Target Localization Some Concluding Remarks: Consensus Matrix 223 Problems 224 References 227 CHAPTER 6 The Least-Squares Family Introduction Least-Squares Linear Regression: A Geometric Perspective Statistical Properties of the LS Estimator Orthogonalizing the Column Space of X: The SVD Method Ridge Regression The Recursive Least-Squares Algorithm 245
5 viii 6.7 Newton's Iterative Minimization Method RLS and Newton's Method Steady-State Performance of the RLS Complex-Valued Data: The Widely Linear RLS Computational Aspects of the LS Solution The Coordinate and Cyclic Coordinate Descent Methods Simulation Examples Total-Least-Squares 261 Problems 268 References 272 CHAPTER 7 Classification: A Tour of the Classics Introduction Bayesian Classification Average Risk Decision (Hyper)Surfaces The Gaussian Distribution Case The Naive Bayes Classifier The Nearest Neighbor Rule Logistic Regression Fisher's Linear Discriminant Classification Trees Combining Classifiers The Boosting Approach Boosting Trees A Case Study: Protein Folding Prediction 314 Problems 318 References 323 CHAPTER 8 Parameter Learning: A Convex Analytic Path Introduction Convex Sets and Functions Convex Sets Convex Functions Projections onto Convex Sets Properties of Projections Fundamental Theorem of Projections onto Convex Sets A Parallel Version of POCS From Convex Sets to Parameter Estimation and Machine Learning Regression Classification 347
6 ix 8.7 Infinite Many Closed Convex Sets: The Online Learning Case Convergence of APSM Constrained Learning The Distributed APSM Optimizing Nonsmooth Convex Cost Functions Subgradients and Subdifferentials Minimizing Nonsmooth Continuous Convex Loss Functions: The Batch Learning Case Online Learning for Convex Optimization Regret Analysis Online Learning and Big Data Applications: A Discussion Proximal Operators Properties of the Proximal Operator Proximal Minimization Proximal Splitting Methods for Optimization 385 Problems Appendix to Chapter References 398 CHAPTER 9 Sparsity-Aware Learning: Concepts and Theoretical Foundations Introduction Searching for a Norm The Least Absolute Shrinkage and Selection Operator (LASSO) Sparse Signal Representation In Search of the Sparsest Solution Uniqueness of the IQ Minimizer Mutual Coherence Equivalence of IQ and l\ Minimizers: Sufficiency Conditions Condition Implied by the Mutual Coherence Number The Restricted Isometry Property (RIP) Robust Sparse Signal Recovery from Noisy Measurements Compressed Sensing: The Glory of Randomness Dimensionality Reduction and Stable Embeddings Sub-Nyquist Sampling: Analog-to-Information Conversion A Case Study: Image De-Noising 438 Problems 440 References 444 CHAPTER 10 Sparsity-Aware Learning: Algorithms and Applications Introduction Sparsity-Promoting Algorithms 450
7 x Greedy Algorithms Iterative Shrinkage/Thresholding (1ST) Algorithms Which Algorithm?: Some Practical Hints Variations on the Sparsity-Aware Theme Online Sparsity-Promoting Algorithms LASSO: Asymptotic Performance The Adaptive Norm-Weighted LASSO Adaptive CoSaMP (AdCoSaMP) Algorithm Sparse Adaptive Projection Subgradient Method (SpAPSM) Learning Sparse Analysis Models Compressed Sensing for Sparse Signal Representation in Coherent Dictionaries Cosparsity A Case Study: Time-Frequency Analysis Appendix to Chapter 10: Some Hints from the Theory of Frames 497 Problems 500 References 502 CHAPTER 11 Learning in Reproducing Kernel Hubert Spaces Introduction Generalized Linear Models Volterra, Wiener, and Hammerstein Models Cover's Theorem: Capacity of a Space in Linear Dichotomies Reproducing Kernel Hubert Spaces Some Properties and Theoretical Highlights Examples of Kernel Functions Representer Theorem Semiparametric Representer Theorem Nonparametric Modeling: A Discussion Kernel Ridge Regression Support Vector Regression The Linear e-insensitive Optimal Regression Kernel Ridge Regression Revisited Optimal Margin Classification: Support Vector Machines Linearly Separable Classes: Maximum Margin Classifiers Nonseparable Classes Performance of SVMs and Applications Choice of Hyperparameters Computational Considerations Multiclass Generalizations 552
8 xi Online Learning in RKHS The Kernel LMS(KLMS) The Naive Online R reg Minimization Algorithm (NORMA) The Kernel APSM Algorithm Multiple Kernel Learning Nonparametric Sparsity-Aware Learning: Additive Models A Case Study: Authorship Identification 570 Problems 574 References 578 CHAPTER 12 Bayesian Learning: Inference and the EM Algorithm Introduction Regression: A Bayesian Perspective The Maximum Likelihood Estimator The MAP Estimator The Bayesian Approach The Evidence Function and Occam's Razor Rule Exponential Family of Probability Distributions The Exponential Family and the Maximum Entropy Method Latent Variables and the EM Algorithm The Expectation-Maximization Algorithm The EM Algorithm: A Lower Bound Maximization View Linear Regression and the EM Algorithm Gaussian Mixture Models Gaussian Mixture Modeling and Clustering Combining Learning Models: A Probabilistic Point of View Mixing Linear Regression Models Mixing Logistic Regression Models 625 Problems Appendix to Chapter PDFs with Exponent of Quadratic Form The Conditional from the Joint Gaussian Pdf The Marginal from the Joint Gaussian Pdf The Posterior from Gaussian Prior and Conditional Pdfs 634 References 637 CHAPTER 13 Bayesian Learning: Approximate Inference and Nonparametric Models Introduction Variational Approximation in Bayesian Learning The Case of the Exponential Family of Probability Distributions 644
9 xii 13.3 A Variational Bayesian Approach to Linear Regression A Variational Bayesian Approach to Gaussian Mixture Modeling When Bayesian Inference Meets Sparsity Sparse Bayesian Learning (SBL) The Spike and Slab Method The Relevance Vector Machine Framework Adopting the Logistic Regression Model for Classification Convex Duality and Variational Bounds Sparsity-Aware Regression: A Variational Bound Bayesian Path Sparsity-Aware Learning: Some Concluding Remarks Expectation Propagation Nonparametric Bayesian Modeling The Chinese Restaurant Process Inference Dirichlet Processes The Stick-Breaking Construction of a DP Gaussian Processes Covariance Functions and Kernels Regression Classification A Case Study: Hyperspectral Image Unmixing Hierarchical Bayesian Modeling Experimental Results 696 Problems 699 References 702 CHAPTER 14 Monte Carlo Methods Introduction Monte Carlo Methods: The Main Concept Random number generation Random Sampling Based on Function Transformation Rejection Sampling Importance Sampling Monte Carlo Methods and the EM Algorithm Markov Chain Monte Carlo Methods Ergodic Markov Chains The Metropolis Method Convergence Issues Gibbs Sampling In Search of More Efficient Methods: A Discussion 735
10 xiii A Case Study: Change-Point Detection 737 Problems 740 References 742 CHAPTER 15 Probabilistic Graphical Models: Part I Introduction The Need for Graphical Models Bayesian Networks and the Markov Condition Graphs: Basic Definitions Some Hints on Causality D-Separation Sigmoidal Bayesian Networks Linear Gaussian Models Multiple-Cause Networks I-Maps, Soundness, Faithfulness, and Completeness Undirected Graphical Models Independencies and I-Maps in Markov Random Fields The Ising Model and Its Variants Conditional Random Fields (CRFs) Factor Graphs Graphical Models for Error-Correcting Codes Moralization of Directed Graphs Exact Inference Methods: Message-Passing Algorithms Exact Inference in Chains Exact Inference in Trees The Sum-Product Algorithm The Max-Product and Max-Sum Algorithms 782 Problems 789 References 791 CHAPTER 16 Probabilistic Graphical Models: Part II Introduction Triangulated Graphs and Junction Trees Constructing a Join Tree Message-Passing in Junction Trees Approximate Inference Methods Variational Methods: Local Approximation Block Methods for Variational Approximation Loopy Belief Propagation Dynamic Graphical Models 816
11 xiv 16.5 Hidden Markov Models Inference Learning the Parameters in an HMM Discriminative Learning Beyond HMMs: A Discussion Factorial Hidden Markov Models Time-Varying Dynamic Bayesian Networks Learning Graphical Models Parameter Estimation Learning the Structure 837 Problems 838 References 840 CHAPTER 17 Particle Filtering Introduction Sequential Importance Sampling Importance Sampling Revisited Resampling Sequential Sampling Kaiman and Particle Filtering Kaiman Filtering: A Bayesian Point of View Particle Filtering Degeneracy Generic Particle Filtering Auxiliary Particle Filtering 862 Problems 868 References 872 CHAPTER 18 Neural Networks and Deep Learning Introduction The Perceptron The Kernel Perceptron Algorithm Feed-Forward Multilayer Neural Networks The Backpropagation Algorithm The Gradient Descent Scheme Beyond the Gradient Descent Rationale Selecting a Cost Function Pruning the Network Universal Approximation Property of Feed-Forward Neural Networks Neural Networks: A Bayesian Flavor 902
12 xv 18.8 Learning Deep Networks The Need for Deep Architectures Training Deep Networks Training Restricted Boltzmann Machines Training Deep Feed-Forward Networks Deep Belief Networks Variations on the Deep Learning Theme Gaussian Units Stacked Autoencoders The Conditional RBM Case Study: A Deep Network for Optical Character Recognition Case Study: A Deep Autoencoder Example: Generating Data via a DBN 928 Problems 929 References 932 CHAPTER 19 Dimensionality Reduction and Latent Variables Modeling Introduction Intrinsic Dimensionality Principle Component Analysis Canonical Correlation Analysis Relatives of CCA Independent Component Analysis ICA and Gaussianity ICA and Higher Order Cumulants Non-Gaussianity and Independent Components ICA Based on Mutual Information Alternative Paths to ICA Dictionary Learning: The &-SVD Algorithm Nonnegative Matrix Factorization Learning Low-Dimensional Models: A Probabilistic Perspective Factor Analysis Probabilistic PCA Mixture of Factors Analyzers: A Bayesian View to Compressed Sensing Nonlinear Dimensionality Reduction Kernel PCA Graph-Based Methods 982
13 xvi Low-Rank Matrix Factorization: A Sparse Modeling Path Matrix Completion Robust PCA Applications of Matrix Completion and ROBUST PCA A Case Study: fmri Data Analysis 998 Problems 1002 References 1003 APPENDIX A Linear Algebra 1013 A.I Properties of Matrices 1013 A.2 Positive Definite and Symmetric Matrices 1015 A.3 Wirtinger Calculus 1016 References 1017 APPENDIX B Probability Theory and Statistics 1019 B.1 Cramer-Rao Bound 1019 B.2 Characteristic Functions 1020 B.3 Moments and Cumulants 1020 B.4 Edgeworth Expansion of a Pdf 1021 Reference 1022 APPENDIX C Hints on Constrained Optimization 1023 C.1 Equality Constraints 1023 C.2 Inequality Constraints 1025 References 1029 Index 1031
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