Nonlinear Fisher Discriminant Analysis Using a Minimum Squared Error Cost Function and the Orthogonal Least Squares Algorithm.

The nonlinear discriminant function obtained using a minimum squared error cost function can be shown to be directly related to the nonlinear Fisher discriminant. With the squared error cost function, the orthogonal least squares algorithm can be used to find a parsimonious description of the nonlinear discriminant function. Two simple classification techniques will be introduced and tested on a number of real and artificial data sets. The results show that the new classification technique can often perform favourably with other state of the art classification techniques

Sparse multinomial kernel discriminant analysis (sMKDA)

Dimensionality reduction via canonical variate analysis (CVA) is important for pattern recognition and has been extended variously to permit more flexibility, e.g. by "kernelizing" the formulation. This can lead to over-fitting, usually ameliorated by regularization. Here, a method for sparse, multinomial kernel discriminant analysis (sMKDA) is proposed, using a sparse basis to control complexity. It is based on the connection between CVA and least-squares, and uses forward selection via orthogonal least-squares to approximate a basis, generalizing a similar approach for binomial problems. Classification can be performed directly via minimum Mahalanobis distance in the canonical variates. sMKDA achieves state-of-the-art performance in terms of accuracy and sparseness on 11 benchmark datasets

A Simple Iterative Algorithm for Parsimonious Binary Kernel Fisher Discrimination

By applying recent results in optimization theory variously known as optimization transfer or majorize/minimize algorithms, an algorithm for binary, kernel, Fisher discriminant analysis is introduced that makes use of a non-smooth penalty on the coefficients to provide a parsimonious solution. The problem is converted into a smooth optimization that can be solved iteratively with no greater overhead than iteratively re-weighted least-squares. The result is simple, easily programmed and is shown to perform, in terms of both accuracy and parsimony, as well as or better than a number of leading machine learning algorithms on two well-studied and substantial benchmarks

Parsimonious Kernel Fisher Discrimination

By applying recent results in optimization transfer, a new algorithm for kernel Fisher Discriminant Analysis is provided that makes use of a non-smooth penalty on the coefficients to provide a parsimonious solution. The algorithm is simple, easily programmed and is shown to perform as well as or better than a number of leading machine learning algorithms on a substantial benchmark. It is then applied to a set of extreme small-sample-size problems in virtual screening where it is found to be less accurate than a currently leading approach but is still comparable in a number of cases

Robust multivariate methods in Chemometrics

This chapter presents an introduction to robust statistics with applications of a chemometric nature. Following a description of the basic ideas and concepts behind robust statistics, including how robust estimators can be conceived, the chapter builds up to the construction (and use) of robust alternatives for some methods for multivariate analysis frequently used in chemometrics, such as principal component analysis and partial least squares. The chapter then provides an insight into how these robust methods can be used or extended to classification. To conclude, the issue of validation of the results is being addressed: it is shown how uncertainty statements associated with robust estimates, can be obtained.Comment: This article is an update of: P. Filzmoser, S. Serneels, R. Maronna, P.J. Van Espen, 3.24 - Robust Multivariate Methods in Chemometrics, in Comprehensive Chemometrics, 1st Edition, edited by Steven D. Brown, Rom\'a Tauler, Beata Walczak, Elsevier, 2009, https://doi.org/10.1016/B978-044452701-1.00113-

Tensor Networks for Dimensionality Reduction and Large-Scale Optimizations. Part 2 Applications and Future Perspectives

Part 2 of this monograph builds on the introduction to tensor networks and their operations presented in Part 1. It focuses on tensor network models for super-compressed higher-order representation of data/parameters and related cost functions, while providing an outline of their applications in machine learning and data analytics. A particular emphasis is on the tensor train (TT) and Hierarchical Tucker (HT) decompositions, and their physically meaningful interpretations which reflect the scalability of the tensor network approach. Through a graphical approach, we also elucidate how, by virtue of the underlying low-rank tensor approximations and sophisticated contractions of core tensors, tensor networks have the ability to perform distributed computations on otherwise prohibitively large volumes of data/parameters, thereby alleviating or even eliminating the curse of dimensionality. The usefulness of this concept is illustrated over a number of applied areas, including generalized regression and classification (support tensor machines, canonical correlation analysis, higher order partial least squares), generalized eigenvalue decomposition, Riemannian optimization, and in the optimization of deep neural networks. Part 1 and Part 2 of this work can be used either as stand-alone separate texts, or indeed as a conjoint comprehensive review of the exciting field of low-rank tensor networks and tensor decompositions.Comment: 232 page

Tensor Networks for Dimensionality Reduction and Large-Scale Optimizations. Part 2 Applications and Future Perspectives

Part 2 of this monograph builds on the introduction to tensor networks and their operations presented in Part 1. It focuses on tensor network models for super-compressed higher-order representation of data/parameters and related cost functions, while providing an outline of their applications in machine learning and data analytics. A particular emphasis is on the tensor train (TT) and Hierarchical Tucker (HT) decompositions, and their physically meaningful interpretations which reflect the scalability of the tensor network approach. Through a graphical approach, we also elucidate how, by virtue of the underlying low-rank tensor approximations and sophisticated contractions of core tensors, tensor networks have the ability to perform distributed computations on otherwise prohibitively large volumes of data/parameters, thereby alleviating or even eliminating the curse of dimensionality. The usefulness of this concept is illustrated over a number of applied areas, including generalized regression and classification (support tensor machines, canonical correlation analysis, higher order partial least squares), generalized eigenvalue decomposition, Riemannian optimization, and in the optimization of deep neural networks. Part 1 and Part 2 of this work can be used either as stand-alone separate texts, or indeed as a conjoint comprehensive review of the exciting field of low-rank tensor networks and tensor decompositions.Comment: 232 page

A Novel Hybrid Dimensionality Reduction Method using Support Vector Machines and Independent Component Analysis

Due to the increasing demand for high dimensional data analysis from various applications such as electrocardiogram signal analysis and gene expression analysis for cancer detection, dimensionality reduction becomes a viable process to extracts essential information from data such that the high-dimensional data can be represented in a more condensed form with much lower dimensionality to both improve classification accuracy and reduce computational complexity. Conventional dimensionality reduction methods can be categorized into stand-alone and hybrid approaches. The stand-alone method utilizes a single criterion from either supervised or unsupervised perspective. On the other hand, the hybrid method integrates both criteria. Compared with a variety of stand-alone dimensionality reduction methods, the hybrid approach is promising as it takes advantage of both the supervised criterion for better classification accuracy and the unsupervised criterion for better data representation, simultaneously. However, several issues always exist that challenge the efficiency of the hybrid approach, including (1) the difficulty in finding a subspace that seamlessly integrates both criteria in a single hybrid framework, (2) the robustness of the performance regarding noisy data, and (3) nonlinear data representation capability. This dissertation presents a new hybrid dimensionality reduction method to seek projection through optimization of both structural risk (supervised criterion) from Support Vector Machine (SVM) and data independence (unsupervised criterion) from Independent Component Analysis (ICA). The projection from SVM directly contributes to classification performance improvement in a supervised perspective whereas maximum independence among features by ICA construct projection indirectly achieving classification accuracy improvement due to better intrinsic data representation in an unsupervised perspective. For linear dimensionality reduction model, I introduce orthogonality to interrelate both projections from SVM and ICA while redundancy removal process eliminates a part of the projection vectors from SVM, leading to more effective dimensionality reduction. The orthogonality-based linear hybrid dimensionality reduction method is extended to uncorrelatedness-based algorithm with nonlinear data representation capability. In the proposed approach, SVM and ICA are integrated into a single framework by the uncorrelated subspace based on kernel implementation. Experimental results show that the proposed approaches give higher classification performance with better robustness in relatively lower dimensions than conventional methods for high-dimensional datasets