Previous versions of sparse principal component analysis (PCA) have presumed that the eigen-basis (a $p \times k$ matrix) is approximately sparse. We propose a method that presumes the $p \times k$ matrix becomes approximately sparse after a $k \times k$ rotation. The simplest version of the algorithm initializes with the leading $k$ principal components. Then, the principal components are rotated with an $k \times k$ orthogonal rotation to make them approximately sparse. Finally, soft-thresholding is applied to the rotated principal components. This approach differs from prior approaches because it uses an orthogonal rotation to approximate a sparse basis. One consequence is that a sparse component need not to be a leading eigenvector, but rather a mixture of them. In this way, we propose a new (rotated) basis for sparse PCA. In addition, our approach avoids "deflation" and multiple tuning parameters required for that. Our sparse PCA framework is versatile; for example, it extends naturally to a two-way analysis of a data matrix for simultaneous dimensionality reduction of rows and columns. We provide evidence showing that for the same level of sparsity, the proposed sparse PCA method is more stable and can explain more variance compared to alternative methods. Through three applications -- sparse coding of images, analysis of transcriptome sequencing data, and large-scale clustering of social networks, we demonstrate the modern usefulness of sparse PCA in exploring multivariate data.
Sparse principal component analysis (PCA) is an important technique for dimensionality reduction of high-dimensional data. However, most existing sparse PCA algorithms are based on non-convex optimization, which provide little guarantee on the global convergence. Sparse PCA algorithms based on a convex formulation, for example the Fantope projection and selection (FPS), overcome this difficulty, but are computationally expensive. In this work we study sparse PCA based on the convex FPS formulation, and propose a new algorithm that is computationally efficient and applicable to large and high-d…
Principal component regression (PCR) is a two-stage procedure: the first stage performs principal component analysis (PCA) and the second stage constructs a regression model whose explanatory variables are replaced by principal components obtained by the first stage. Since PCA is performed by using only explanatory variables, the principal components have no information about the response variable. To address the problem, we propose a one-stage procedure for PCR in terms of singular value decomposition approach. Our approach is based upon two loss functions, a regression loss and a PCA loss, w…
Sparse principal component analysis (sparse PCA) aims at finding a sparse basis to improve the interpretability over the dense basis of PCA, meanwhile the sparse basis should cover the data subspace as much as possible. In contrast to most of existing work which deal with the problem by adding some sparsity penalties on various objectives of PCA, in this paper, we propose a new method SPCArt, whose motivation is to find a rotation matrix and a sparse basis such that the sparse basis approximates the basis of PCA after the rotation. The algorithm of SPCArt consists of three alternating steps: r…
We propose a new sparse principal component analysis (SPCA) method in which the solutions are obtained by projecting the full cardinality principal components onto subsets of variables. The resulting components are guaranteed to explain a given proportion of variance. The computation of these solutions is very efficient. The proposed method compares well with the optimal least squares sparse components. We show that other SPCA methods fail to identify the best sparse approximations of the principal components and explain less variance than our solutions. We illustrate and compare our method wi…
Sparse Principal Components Analysis aims to find principal components with few non-zero loadings. We derive such sparse solutions by adding a genuine sparsity requirement to the original Principal Components Analysis (PCA) objective function. This approach differs from others because it preserves PCA's original optimality: \uns\ of the components and Least Squares approximation of the data. To identify the best subset of non-zero loadings we propose a Branch-and-Bound search and an iterative elimination algorithm. This last algorithm finds sparse solutions with large loadings and can be run w…
In this paper, a new method is proposed for sparse PCA based on the recursive divide-and-conquer methodology. The main idea is to separate the original sparse PCA problem into a series of much simpler sub-problems, each having a closed-form solution. By recursively solving these sub-problems in an analytical way, an efficient algorithm is constructed to solve the sparse PCA problem. The algorithm only involves simple computations and is thus easy to implement. The proposed method can also be very easily extended to other sparse PCA problems with certain constraints, such as the nonnegative spa…
We introduce a new method for sparse principal component analysis, based on the aggregation of eigenvector information from carefully-selected axis-aligned random projections of the sample covariance matrix. Unlike most alternative approaches, our algorithm is non-iterative, so is not vulnerable to a bad choice of initialisation. We provide theoretical guarantees under which our principal subspace estimator can attain the minimax optimal rate of convergence in polynomial time. In addition, our theory provides a more refined understanding of the statistical and computational trade-off in the pr…
School of Mathematics and Information Sciences, Yantai University（烟台大学数学与信息科学学院）；Department of Mathematics, Shandong Normal University（山东师范大学数学学院）
The implementation of conventional sparse principal component analysis (SPCA) on high-dimensional data sets has become a time consuming work. In this paper, a series of subspace projections are constructed efficiently by using Household QR factorization. With the aid of these subspace projections, a fast deflation method, called SPCA-SP, is developed for SPCA. This method keeps a good tradeoff between various criteria, including sparsity, orthogonality, explained variance, balance of sparsity, and computational cost. Comparative experiments on the benchmark data sets confirm the effectiveness …
UC Berkeley（加州大学伯克利分校）；University of Washington（华盛顿大学）
Sparse principal component analysis (SPCA) has emerged as a powerful technique for modern data analysis, providing improved interpretation of low-rank structures by identifying localized spatial structures in the data and disambiguating between distinct time scales. We demonstrate a robust and scalable SPCA algorithm by formulating it as a value-function optimization problem. This viewpoint leads to a flexible and computationally efficient algorithm. Further, we can leverage randomized methods from linear algebra to extend the approach to the large-scale (big data) setting. Our proposed innova…
We consider the sparse principal component analysis for high-dimensional stationary processes. The standard principal component analysis performs poorly when the dimension of the process is large. We establish the oracle inequalities for penalized principal component estimators for the processes including heavy-tailed time series. The rate of convergence of the estimators is established. We also elucidate the theoretical rate for choosing the tuning parameter in penalized estimators. The performance of the sparse principal component analysis is demonstrated by numerical simulations. The utilit…
We propose a new method for supervised learning, especially suited to wide data where the number of features is much greater than the number of observations. The method combines the lasso ($\ell_1$) sparsity penalty with a quadratic penalty that shrinks the coefficient vector toward the leading principal components of the feature matrix. We call the proposed method the "principal components lasso" ("pcLasso"). The method can be especially powerful if the features are pre-assigned to groups (such as cell-pathways, assays or protein interaction networks). In that case, pcLasso shrinks each group…
In this paper, we study the application of sparse principal component analysis (PCA) to clustering and feature selection problems. Sparse PCA seeks sparse factors, or linear combinations of the data variables, explaining a maximum amount of variance in the data while having only a limited number of nonzero coefficients. PCA is often used as a simple clustering technique and sparse factors allow us here to interpret the clusters in terms of a reduced set of variables. We begin with a brief introduction and motivation on sparse PCA and detail our implementation of the algorithm in d'Aspremont et…
Principal component analysis (PCA) is a classical dimension reduction method which projects data onto the principal subspace spanned by the leading eigenvectors of the covariance matrix. However, it behaves poorly when the number of features p is comparable to, or even much larger than, the sample size n. In this paper, we propose a new iterative thresholding approach for estimating principal subspaces in the setting where the leading eigenvectors are sparse. Under a spiked covariance model, we find that the new approach recovers the principal subspace and leading eigenvectors consistently, an…
We present an extension of sparse PCA, or sparse dictionary learning, where the sparsity patterns of all dictionary elements are structured and constrained to belong to a prespecified set of shapes. This \emph{structured sparse PCA} is based on a structured regularization recently introduced by [1]. While classical sparse priors only deal with \textit{cardinality}, the regularization we use encodes higher-order information about the data. We propose an efficient and simple optimization procedure to solve this problem. Experiments with two practical tasks, face recognition and the study of the …
In this paper, we consider a new variant for principal component analysis (PCA), aiming to capture the grouping and/or sparse structures of factor loadings simultaneously. To achieve these goals, we employ a non-convex truncated regularization with naturally adjustable sparsity and grouping effects, and propose the Feature Grouping and Sparse Principal Component Analysis (FGSPCA). The proposed FGSPCA method encourages the factor loadings with similar values to collapse into disjoint homogeneous groups for feature grouping or into a special zero-valued group for feature selection, which in turn…
Singapore University of Technology and Design（新加坡科技设计大学）；University of Edinburgh（爱丁堡大学）
We propose a novel topic discovery algorithm for unlabeled images based on the bag-of-words (BoW) framework. We first extract a dictionary of visual words and subsequently for each image compute a visual word occurrence histogram. We view these histograms as rows of a large matrix from which we extract sparse principal components (PCs). Each PC identifies a sparse combination of visual words which co-occur frequently in some images but seldom appear in others. Each sparse PC corresponds to a topic, and images whose interference with the PC is high belong to that topic, revealing the common par…
Principal component analysis (PCA) is a widely used dimension reduction technique in machine learning and multivariate statistics. To improve the interpretability of PCA, various approaches to obtain sparse principal direction loadings have been proposed, which are termed Sparse Principal Component Analysis (SPCA). In this paper, we present thresholding as a provably accurate, polynomial time, approximation algorithm for the SPCA problem, without imposing any restrictive assumptions on the input covariance matrix. Our first thresholding algorithm using the Singular Value Decomposition is conce…
Principal component analysis (PCA) is a widely used technique for data analysis and dimension reduction with numerous applications in science and engineering. However, the standard PCA suffers from the fact that the principal components (PCs) are usually linear combinations of all the original variables, and it is thus often difficult to interpret the PCs. To alleviate this drawback, various sparse PCA approaches were proposed in literature [15, 6, 17, 28, 8, 25, 18, 7, 16]. Despite success in achieving sparsity, some important properties enjoyed by the standard PCA are lost in these methods s…
We present a novel technique for sparse principal component analysis. This method, named Eigenvectors from Eigenvalues Sparse Principal Component Analysis (EESPCA), is based on the formula for computing squared eigenvector loadings of a Hermitian matrix from the eigenvalues of the full matrix and associated sub-matrices. We explore two versions of the EESPCA method: a version that uses a fixed threshold for inducing sparsity and a version that selects the threshold via cross-validation. Relative to the state-of-the-art sparse PCA methods of Witten et al., Yuan & Zhang and Tan et al., the fixed…
Functional binary datasets occur frequently in real practice, whereas discrete characteristics of the data can bring challenges to model estimation. In this paper, we propose a sparse logistic functional principal component analysis (SLFPCA) method to handle the functional binary data. The SLFPCA looks for local sparsity of the eigenfunctions to obtain convenience in interpretation. We formulate the problem through a penalized Bernoulli likelihood with both roughness penalty and sparseness penalty terms. An efficient algorithm is developed for the optimization of the penalized likelihood using…
In this paper, we study the problem of sparse Principal Component Analysis (PCA) in the high-dimensional setting with missing observations. Our goal is to estimate the first principal component when we only have access to partial observations. Existing estimation techniques are usually derived for fully observed data sets and require a prior knowledge of the sparsity of the first principal component in order to achieve good statistical guarantees. Our contributions is threefold. First, we establish the first information-theoretic lower bound for the sparse PCA problem with missing observations…
Principal Component Analysis (PCA) is a dimension reduction technique. It produces inconsistent estimators when the dimensionality is moderate to high, which is often the problem in modern large-scale applications where algorithm scalability and model interpretability are difficult to achieve, not to mention the prevalence of missing values. While existing sparse PCA methods alleviate inconsistency, they are constrained to the Gaussian assumption of classical PCA and fail to address algorithm scalability issues. We generalize sparse PCA to the broad exponential family distributions under high-…
In this paper, we propose a cone projected power iteration algorithm to recover the first principal eigenvector from a noisy positive semidefinite matrix. When the true principal eigenvector is assumed to belong to a convex cone, the proposed algorithm is fast and has a tractable error. Specifically, the method achieves polynomial time complexity for certain convex cones equipped with fast projection such as the monotone cone. It attains a small error when the noisy matrix has a small cone-restricted operator norm. We supplement the above results with a minimax lower bound of the error under t…
This paper presents new algorithms to solve the feature-sparsity constrained PCA problem (FSPCA), which performs feature selection and PCA simultaneously. Existing optimization methods for FSPCA require data distribution assumptions and are lack of global convergence guarantee. Though the general FSPCA problem is NP-hard, we show that, for a low-rank covariance, FSPCA can be solved globally (Algorithm 1). Then, we propose another strategy (Algorithm 2) to solve FSPCA for the general covariance by iteratively building a carefully designed proxy. We prove theoretical guarantees on approximation …
This work aims to give non-asymptotic results for estimating the first principal component of a multivariate random process. We first define the covariance function and the covariance operator in the multivariate case. We then define a projection operator. This operator can be seen as a reconstruction step from the raw data in the functional data analysis context. Next, we show that the eigenelements can be expressed as the solution to an optimization problem, and we introduce the LASSO variant of this optimization problem and the associated plugin estimator. Finally, we assess the estimator's…
Regularized variants of Principal Components Analysis, especially Sparse PCA and Functional PCA, are among the most useful tools for the analysis of complex high-dimensional data. Many examples of massive data, have both sparse and functional (smooth) aspects and may benefit from a regularization scheme that can capture both forms of structure. For example, in neuro-imaging data, the brain's response to a stimulus may be restricted to a discrete region of activation (spatial sparsity), while exhibiting a smooth response within that region. We propose a unified approach to regularized PCA which…
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 consider spatially dependent functional data collected under a geostatistics setting, where locations are sampled from a spatial point process. The functional response is the sum of a spatially dependent functional effect and a spatially independent functional nugget effect. Observations on each function are made on discrete time points and contaminated with measurement errors. Under the assumption of spatial stationarity and isotropy, we propose a tensor product spline estimator for the spatio-temporal covariance function. When a coregionalization covariance structure is further assumed, w…
Delft University of Technology（代尔夫特理工大学）；Stanford University（斯坦福大学）；VinAI Research（VinAI研究院）；Umea University（于默奥大学）
We propose a novel approximation hierarchy for cardinality-constrained, convex quadratic programs that exploits the rank-dominating eigenvectors of the quadratic matrix. Each level of approximation admits a min-max characterization whose objective function can be optimized over the binary variables analytically, while preserving convexity in the continuous variables. Exploiting this property, we propose two scalable optimization algorithms, coined as the "best response" and the "dual program", that can efficiently screen the potential indices of the nonzero elements of the original program. We…
Matrix completion constantly receives tremendous attention from many research fields. It is commonly applied for recommender systems such as movie ratings, computer vision such as image reconstruction or completion, multi-task learning such as collaboratively modeling time-series trends of multiple sensors, and many other applications. Matrix completion techniques are usually computationally exhaustive and/or fail to capture the heterogeneity in the data. For example, images usually contain a heterogeneous set of objects, and thus it is a challenging task to reconstruct images with high levels…
We study the meta-learning for support (i.e. the set of non-zero entries) recovery in high-dimensional Principal Component Analysis. We reduce the sufficient sample complexity in a novel task with the information that is learned from auxiliary tasks. We assume each task to be a different random Principal Component (PC) matrix with a possibly different support and that the support union of the PC matrices is small. We then pool the data from all the tasks to execute an improper estimation of a single PC matrix by maximising the $l_1$-regularised predictive covariance to establish that with high…
We develop a new principal components analysis (PCA) type dimension reduction method for binary data. Different from the standard PCA which is defined on the observed data, the proposed PCA is defined on the logit transform of the success probabilities of the binary observations. Sparsity is introduced to the principal component (PC) loading vectors for enhanced interpretability and more stable extraction of the principal components. Our sparse PCA is formulated as solving an optimization problem with a criterion function motivated from a penalized Bernoulli likelihood. A Majorization--Minimiz…
Sparse PCA provides a linear combination of small number of features that maximizes variance across data. Although Sparse PCA has apparent advantages compared to PCA, such as better interpretability, it is generally thought to be computationally much more expensive. In this paper, we demonstrate the surprising fact that sparse PCA can be easier than PCA in practice, and that it can be reliably applied to very large data sets. This comes from a rigorous feature elimination pre-processing result, coupled with the favorable fact that features in real-life data typically have exponentially decreas…
The University of California, Davis（加州大学戴维斯分校）；Google AI（谷歌人工智能）；Princeton University（普林斯顿大学）
Sparse PCA is a widely used technique for high-dimensional data analysis. In this paper, we propose a new method called low-rank principal eigenmatrix analysis. Different from sparse PCA, the dominant eigenvectors are allowed to be dense but are assumed to have a low-rank structure when matricized appropriately. Such a structure arises naturally in several practical cases: Indeed the top eigenvector of a circulant matrix, when matricized appropriately is a rank-1 matrix. We propose a matricized rank-truncated power method that could be efficiently implemented and establish its computational an…
We examine the problem of approximating a positive, semidefinite matrix $Σ$ by a dyad $xx^T$, with a penalty on the cardinality of the vector $x$. This problem arises in sparse principal component analysis, where a decomposition of $Σ$ involving sparse factors is sought. We express this hard, combinatorial problem as a maximum eigenvalue problem, in which we seek to maximize, over a box, the largest eigenvalue of a symmetric matrix that is linear in the variables. This representation allows to use the techniques of robust optimization, to derive a bound based on semidefinite programming. The q…
The University of Texas Health Science Center at Houston（德克萨斯大学休斯顿健康科学中心）；Fudan University（复旦大学）
Due to advances in sensors, growing large and complex medical image data have the ability to visualize the pathological change in the cellular or even the molecular level or anatomical changes in tissues and organs. As a consequence, the medical images have the potential to enhance diagnosis of disease, prediction of clinical outcomes, characterization of disease progression, management of health care and development of treatments, but also pose great methodological and computational challenges for representation and selection of features in image cluster analysis. To address these challenges,…
Functional principal component analysis (FPCA) is a fundamental tool and has attracted increasing attention in recent decades, while existing methods are restricted to data with a single or finite number of random functions (much smaller than the sample size $n$). In this work, we focus on high-dimensional functional processes where the number of random functions $p$ is comparable to, or even much larger than $n$. Such data are ubiquitous in various fields such as neuroimaging analysis, and cannot be properly modeled by existing methods. We propose a new algorithm, called sparse FPCA, which is…
This paper presents an efficient surrogate modeling strategy for the uncertainty quantification and Bayesian calibration of a hydrological model. In particular, a process-based dynamical urban drainage simulator that predicts the discharge from a catchment area during a precipitation event is considered. The goal of the case study is to perform a global sensitivity analysis and to identify the unknown model parameters as well as the measurement and prediction errors. These objectives can only be achieved by cheapening the incurred computational costs, that is, lowering the number of necessary …
Given a sample covariance matrix, we examine the problem of maximizing the variance explained by a linear combination of the input variables while constraining the number of nonzero coefficients in this combination. This is known as sparse principal component analysis and has a wide array of applications in machine learning and engineering. We formulate a new semidefinite relaxation to this problem and derive a greedy algorithm that computes a full set of good solutions for all target numbers of non zero coefficients, with total complexity O(n^3), where n is the number of variables. We then us…
Robust principal component analysis (RPCA) can recover low-rank matrices when they are corrupted by sparse noises. In practice, many matrices are, however, of high-rank and hence cannot be recovered by RPCA. We propose a novel method called robust kernel principal component analysis (RKPCA) to decompose a partially corrupted matrix as a sparse matrix plus a high or full-rank matrix with low latent dimensionality. RKPCA can be applied to many problems such as noise removal and subspace clustering and is still the only unsupervised nonlinear method robust to sparse noises. Our theoretical analys…
High dimensional data has introduced challenges that are difficult to address when attempting to implement classical approaches of statistical process control. This has made it a topic of interest for research due in recent years. However, in many cases, data sets have underlying structures, such as in advanced manufacturing systems. If extracted correctly, efficient methods for process control can be developed. This paper proposes a robust sparse dimensionality reduction approach for correlated high-dimensional process monitoring to address the aforementioned issues. The developed monitoring …
Massachusetts Institute of Technology（麻省理工学院）；London Business School（伦敦商学院）
Sparse principal component analysis (PCA) is a popular dimensionality reduction technique for obtaining principal components which are linear combinations of a small subset of the original features. Existing approaches cannot supply certifiably optimal principal components with more than $p=100s$ of variables. By reformulating sparse PCA as a convex mixed-integer semidefinite optimization problem, we design a cutting-plane method which solves the problem to certifiable optimality at the scale of selecting k=5 covariates from p=300 variables, and provides small bound gaps at a larger scale. We …
In this paper we review existing methods for robust functional principal component analysis (FPCA) and propose a new method for FPCA that can be applied to longitudinal data where only a few observations per trajectory are available. This method is robust against the presence of atypical observations, and can also be used to derive a new non-robust FPCA approach for sparsely observed functional data. We use local regression to estimate the values of the covariance function, taking advantage of the fact that for elliptically distributed random vectors the conditional location parameter of some …
School of Information and Electronics, Beijing Institute of Technology（信息与电子学院，北京理工大学）；National Key Laboratory of Science and Technology on Space-Born Intelligent Information Processing（空间智能信息处理国家重点实验室）；Department of Electrical and Computer Engineering, Mississippi State University（电气与计算机工程系，密苏里州立大学）；National Research Council, Institute of Methodologies for Environmental Analysis (CNR-IMAA)（国家研究理事会，环境分析方法研究所（CNR-IMAA））
Principal components analysis (PCA) is a classical method for the reduction of dimensionality of data in the form of n observations (or cases) of a vector with p variables. For a simple model of factor analysis type, it is proved that ordinary PCA can produce a consistent (for n large) estimate of the principal factor if and only if p(n) is asymptotically of smaller order than n. There may be a basis in which typical signals have sparse representations: most co-ordinates have small signal energies. If such a basis (e.g. wavelets) is used to represent the signals, then the variation in many coo…
Principal components analysis (PCA) is the optimal linear auto-encoder of data, and it is often used to construct features. Enforcing sparsity on the principal components can promote better generalization, while improving the interpretability of the features. We study the problem of constructing optimal sparse linear auto-encoders. Two natural questions in such a setting are: i) Given a level of sparsity, what is the best approximation to PCA that can be achieved? ii) Are there low-order polynomial-time algorithms which can asymptotically achieve this optimal tradeoff between the sparsity and …
