Fast approximation of orthogonal matrices and application to PCA
Faculty of Automatic Control and Computers, University Politehnica Bucharest（布加勒斯特理工大学自动控制与计算机学院）；LCSL, Universitá di Genova（热那亚大学LCSL）；Massachusetts Institute of Technology（麻省理工学院）；Istituto Italiano di Tecnologia（意大利技术研究院）
We study the problem of approximating orthogonal matrices so that their application is numerically fast and yet accurate. We find an approximation by solving an optimization problem over a set of structured matrices, that we call extended orthogonal Givens transformations, including Givens rotations as a special case. We propose an efficient greedy algorithm to solve such a problem and show that it strikes a balance between approximation accuracy and speed of computation. The approach is relevant to spectral methods and we illustrate its application to PCA.
Sparse PCA is the optimization problem obtained from PCA by adding a sparsity constraint on the principal components. Sparse PCA is NP-hard and hard to approximate even in the single-component case. In this paper we settle the computational complexity of sparse PCA with respect to the rank of the covariance matrix. We show that, if the rank of the covariance matrix is a fixed value, then there is an algorithm that solves sparse PCA to global optimality, whose running time is polynomial in the number of features. We also prove a similar result for the version of sparse PCA which requires the pr…
Qingdao University（青岛大学）；University of Electronic Science and Technology of China（电子科技大学）；University of Kentucky（肯塔基大学）
Robust principal component analysis (RPCA) has drawn significant attentions due to its powerful capability in recovering low-rank matrices as well as successful appplications in various real world problems. The current state-of-the-art algorithms usually need to solve singular value decomposition of large matrices, which generally has at least a quadratic or even cubic complexity. This drawback has limited the application of RPCA in solving real world problems. To combat this drawback, in this paper we propose a new type of RPCA method, RES-PCA, which is linearly efficient and scalable in both…
Most high-dimensional matrix recovery problems are studied under the assumption that the target matrix has certain intrinsic structures. For image data related matrix recovery problems, approximate low-rankness and smoothness are the two most commonly imposed structures. For approximately low-rank matrix recovery, the robust principal component analysis (PCA) is well-studied and proved to be effective. For smooth matrix problem, 2d fused Lasso and other total variation based approaches have played a fundamental role. Although both low-rankness and smoothness are key assumptions for image data …
Max-Planck-Institute for Intelligent Systems（马克斯·普朗克智能系统研究所）
The Variational Autoencoder (VAE) is a powerful architecture capable of representation learning and generative modeling. When it comes to learning interpretable (disentangled) representations, VAE and its variants show unparalleled performance. However, the reasons for this are unclear, since a very particular alignment of the latent embedding is needed but the design of the VAE does not encourage it in any explicit way. We address this matter and offer the following explanation: the diagonal approximation in the encoder together with the inherent stochasticity force local orthogonality of the…
A Decomposition Framework for Certifiably Optimal Orthogonal Sparse PCA
School of Computer Science and Artificial Intelligence（计算机科学与人工智能学院）；Aerospace Information Technology University（航空航天信息技术大学）；Academy of Mathematics and Systems Science（数学与系统科学学院）；Chinese Academy of Sciences（中国科学院）
Mahalanobis distance between treatment group and control group covariate means is often adopted as a balance criterion when implementing a rerandomization strategy. However, this criterion may not work well for high-dimensional cases because it balances all orthogonalized covariates equally. Here, we propose leveraging principal component analysis (PCA) to identify proper subspaces in which Mahalanobis distance should be calculated. Not only can PCA effectively reduce the dimensionality for high-dimensional cases while capturing most of the information in the covariates, but it also provides c…
We propose a new algorithm for sparse estimation of eigenvectors in generalized eigenvalue problems (GEP). The GEP arises in a number of modern data-analytic situations and statistical methods, including principal component analysis (PCA), multiclass linear discriminant analysis (LDA), canonical correlation analysis (CCA), sufficient dimension reduction (SDR) and invariant co-ordinate selection. We propose to modify the standard generalized orthogonal iteration with a sparsity-inducing penalty for the eigenvectors. To achieve this goal, we generalize the equation-solving step of orthogonal ite…
We consider the problem of estimating multiple principal components using the recently-proposed Sparse and Functional Principal Components Analysis (SFPCA) estimator. We first propose an extension of SFPCA which estimates several principal components simultaneously using manifold optimization techniques to enforce orthogonality constraints. While effective, this approach is computationally burdensome so we also consider iterative deflation approaches which take advantage of existing fast algorithms for rank-one SFPCA. We show that alternative deflation schemes can more efficiently extract sign…
We present a novel view on principal component analysis (PCA) as a competitive game in which each approximate eigenvector is controlled by a player whose goal is to maximize their own utility function. We analyze the properties of this PCA game and the behavior of its gradient based updates. The resulting algorithm -- which combines elements from Oja's rule with a generalized Gram-Schmidt orthogonalization -- is naturally decentralized and hence parallelizable through message passing. We demonstrate the scalability of the algorithm with experiments on large image datasets and neural network ac…
We address the problem of defining a group sparse formulation for Principal Components Analysis (PCA) - or its equivalent formulations as Low Rank approximation or Dictionary Learning problems - which achieves a compromise between maximizing the variance explained by the components and promoting sparsity of the loadings. So we propose first a new definition of the variance explained by non necessarily orthogonal components, which is optimal in some aspect and compatible with the principal components situation. Then we use a specific regularization of this variance by the group-$\ell_{1}$ norm …
We analyze Oja's algorithm for streaming $k$-PCA and prove that it achieves performance nearly matching that of an optimal offline algorithm. Given access to a sequence of i.i.d. $d \times d$ symmetric matrices, we show that Oja's algorithm can obtain an accurate approximation to the subspace of the top $k$ eigenvectors of their expectation using a number of samples that scales polylogarithmically with $d$. Previously, such a result was only known in the case where the updates have rank one. Our analysis is based on recently developed matrix concentration tools, which allow us to prove strong …
Principal component analysis (PCA) is largely adopted for chemical process monitoring and numerous PCA-based systems have been developed to solve various fault detection and diagnosis problems. Since PCA-based methods assume that the monitored process is linear, nonlinear PCA models, such as autoencoder models and kernel principal component analysis (KPCA), has been proposed and applied to nonlinear process monitoring. However, KPCA-based methods need to perform eigen-decomposition (ED) on the kernel Gram matrix whose dimensions depend on the number of training data. Moreover, prefixed kernel …
University of Pennsylvania（宾夕法尼亚大学）；University of Rochester（罗切斯特大学）
Graph neural networks (GNN) are an effective framework that exploit inter-relationships within graph-structured data for learning. Principal component analysis (PCA) involves the projection of data on the eigenspace of the covariance matrix and draws similarities with the graph convolutional filters in GNNs. Motivated by this observation, we study a GNN architecture, called coVariance neural network (VNN), that operates on sample covariance matrices as graphs. We theoretically establish the stability of VNNs to perturbations in the covariance matrix, thus, implying an advantage over standard P…
Spectral clustering is a popular algorithm that clusters points using the eigenvalues and eigenvectors of Laplacian matrices derived from the data. For years, spectral clustering has been working mysteriously. This paper explains spectral clustering by dividing it into two categories based on whether the graph Laplacian is fully connected or not. For a fully connected graph, this paper demonstrates the dimension reduction part by offering an objective function: the covariance between the original data points' similarities and the mapped data points' similarities. For a multi-connected graph, t…
Joint Samsung-HSE lab（三星-HSE联合实验室）；Lomonosov Moscow State University（莫斯科国立大学）
We consider the problem of sampling from posterior distributions for Bayesian models where some parameters are restricted to be orthogonal matrices. Such matrices are sometimes used in neural networks models for reasons of regularization and stabilization of training procedures, and also can parameterize matrices of bounded rank, positive-definite matrices and others. In \citet{byrne2013geodesic} authors have already considered sampling from distributions over manifolds using exact geodesic flows in a scheme similar to Hamiltonian Monte Carlo (HMC). We propose new sampling scheme for a set of …
We consider the problem of maximizing the variance explained from a data matrix using orthogonal sparse principal components that have a support of fixed cardinality. While most existing methods focus on building principal components (PCs) iteratively through deflation, we propose GeoSPCA, a novel algorithm to build all PCs at once while satisfying the orthogonality constraints which brings substantial benefits over deflation. This novel approach is based on the left eigenvalues of the covariance matrix which helps circumvent the non-convexity of the problem by approximating the optimal soluti…
We consider a family of vector dot products that can be implemented using sign changes and addition operations only. The dot products are energy-efficient as they avoid the multiplication operation entirely. Moreover, the dot products induce the $\ell_1$-norm, thus providing robustness to impulsive noise. First, we analytically prove that the dot products yield symmetric, positive semi-definite generalized covariance matrices, thus enabling principal component analysis (PCA). Moreover, the generalized covariance matrices can be constructed in an Energy Efficient (EEF) manner due to the multipl…
Principal Component Analysis (PCA) is a transform for finding the principal components (PCs) that represent features of random data. PCA also provides a reconstruction of the PCs to the original data. We consider an extension of PCA which allows us to improve the associated accuracy and diminish the numerical load, in comparison with known techniques. This is achieved due to the special structure of the proposed transform which contains two matrices $T_0$ and $T_1$, and a special transformation $\mathcal{f}$ of the so called auxiliary random vector $\mathbf w$. For this reason, we call it the …
Higher order data is modeled using matrices whose entries are numerical arrays of a fixed size. These arrays, called t-scalars, form a commutative ring under the convolution product. Matrices with elements in the ring of t-scalars are referred to as t-matrices. The t-matrices can be scaled, added and multiplied in the usual way. There are t-matrix generalizations of positive matrices, orthogonal matrices and Hermitian symmetric matrices. With the t-matrix model, it is possible to generalize many well-known matrix algorithms. In particular, the t-matrices are used to generalize the SVD (Singula…
University of Wisconsin Madison（威斯康星大学麦迪逊分校）；Amazon Lab126（亚马逊Lab126）
We present an efficient stochastic algorithm (RSG+) for canonical correlation analysis (CCA) using a reparametrization of the projection matrices. We show how this reparametrization (into structured matrices), simple in hindsight, directly presents an opportunity to repurpose/adjust mature techniques for numerical optimization on Riemannian manifolds. Our developments nicely complement existing methods for this problem which either require $O(d^3)$ time complexity per iteration with $O(\frac{1}{\sqrt{t}})$ convergence rate (where $d$ is the dimensionality) or only extract the top $1$ component…
University of Granada（格拉纳达大学）；University of Amsterdam（阿姆斯特丹大学）；Wageningen University & Research（瓦赫宁根大学及研究中心）
Sparse Principal Component Analysis (sPCA) is a popular matrix factorization approach based on Principal Component Analysis (PCA) that combines variance maximization and sparsity with the ultimate goal of improving data interpretation. When moving from PCA to sPCA, there are a number of implications that the practitioner needs to be aware of. A relevant one is that scores and loadings in sPCA may not be orthogonal. For this reason, the traditional way of computing scores, residuals and variance explained that is used in the classical PCA cannot directly be applied to sPCA models. This also aff…
In datasets where the number of parameters is fixed and the number of samples is large, principal component analysis (PCA) is a powerful dimension reduction tool. However, in many contemporary datasets, when the number of parameters is comparable to the sample size, PCA can be misleading. A closely related problem is the following: is it possible to recover a rank-one matrix in the presence of a large amount of noise? In both situations, there is a phase transition in the eigen-structure of the matrix.
Sparse PCA (SPCA) is a fundamental model in machine learning and data analytics, which has witnessed a variety of application areas such as finance, manufacturing, biology, healthcare. To select a prespecified-size principal submatrix from a covariance matrix to maximize its largest eigenvalue for the better interpretability purpose, SPCA advances the conventional PCA with both feature selection and dimensionality reduction. This paper proposes two exact mixed-integer SDPs (MISDPs) by exploiting the spectral decomposition of the covariance matrix and the properties of the largest eigenvalues. …
Forecasting Binary Economic Events in Modern Mercantilism: Traditional methodologies coupled with PCA and K-means Quantitative Analysis of Qualitative Sentimental Data
Sparse principal component analysis (sPCA) has become one of the most widely used techniques for dimensionality reduction in high-dimensional datasets. The main challenge underlying sPCA is to estimate the first vector of loadings of the population covariance matrix, provided that only a certain number of loadings are non-zero. In this paper, we propose confidence intervals for individual loadings and for the largest eigenvalue of the population covariance matrix. Given an independent sample $X^i \in\mathbb R^p, i = 1,...,n,$ generated from an unknown distribution with an unknown covariance ma…
Multiway data are becoming more and more common. While there are many approaches to extending principal component analysis (PCA) from usual data matrices to multiway arrays, their conceptual differences from the usual PCA, and the methodological implications of such differences remain largely unknown. This work aims to specifically address these questions. In particular, we clarify the subtle difference between PCA and singular value decomposition (SVD) for multiway data, and show that multiway principal components (PCs) can be estimated reliably in absence of the eigengaps required by the usu…
Robust Principal Component Analysis (PCA) (Candes et al., 2011) and low-rank matrix completion (Recht et al., 2010) are extensions of PCA to allow for outliers and missing entries respectively. It is well-known that solving these problems requires a low coherence between the low-rank matrix and the canonical basis, since in the extreme cases -- when the low-rank matrix we wish to recover is also sparse -- there is an inherent ambiguity. However, the well-posedness issue in both problems is an even more fundamental one: in some cases, both Robust PCA and matrix completion can fail to have any s…
