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. We then analyze the theoretical optimality gaps of their continuous relaxation values and prove that they are stronger than that of the state-of-art one. We further show that the continuous relaxations of two MISDPs can be recast as saddle point problems without involving semi-definite cones, and thus can be effectively solved by first-order methods such as the subgradient method. Since off-the-shelf solvers, in general, have difficulty in solving MISDPs, we approximate SPCA with arbitrary accuracy by a mixed-integer linear program (MILP) of a similar size as MISDPs. To be more scalable, we also analyze greedy and local search algorithms, prove their first-known approximation ratios, and show that the approximation ratios are tight. Our numerical study demonstrates that the continuous relaxation values of the proposed MISDPs are quite close to optimality, the proposed MILP model can solve small and medium-size instances to optimality, and the approximation algorithms work very well for all the instances. Finally, we extend the analyses to Rank-one Sparse SVD (R1-SSVD) with non-symmetric matrices and Sparse Fair PCA (SFPCA) when there are multiple covariance matrices, each corresponding to a protected group.
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…
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…
Harbin Institute of Technology（哈尔滨工业大学）；Qufu Normal University（曲阜师范大学）；Anhui University（安徽大学）
Principal Component Analysis (PCA) has been used to study the pathogenesis of diseases. To enhance the interpretability of classical PCA, various improved PCA methods have been proposed to date. Among these, a typical method is the so-called sparse PCA, which focuses on seeking sparse loadings. However, the performance of these methods is still far from satisfactory due to their limitation of using unsupervised learning methods; moreover, the class ambiguity within the sample is high. To overcome this problem, this study developed a new PCA method, which is named the Supervised Discriminative …
The Chinese University of Hong Kong（香港中文大学）；University of California, Davis（加利福尼亚大学戴维斯分校）；The Pennsylvania State University（宾夕法尼亚州立大学）；University of Minnesota（明尼苏达大学）
Sparse principal component analysis (PCA) and sparse canonical correlation analysis (CCA) are two essential techniques from high-dimensional statistics and machine learning for analyzing large-scale data. Both problems can be formulated as an optimization problem with nonsmooth objective and nonconvex constraints. Since non-smoothness and nonconvexity bring numerical difficulties, most algorithms suggested in the literature either solve some relaxations or are heuristic and lack convergence guarantees. In this paper, we propose a new alternating manifold proximal gradient method to solve these…
We give a reduction from {\sc clique} to establish that sparse PCA is NP-hard. The reduction has a gap which we use to exclude an FPTAS for sparse PCA (unless P=NP). Under weaker complexity assumptions, we also exclude polynomial constant-factor approximation algorithms.
Many problems in machine learning and statistics can be formulated as (generalized) eigenproblems. In terms of the associated optimization problem, computing linear eigenvectors amounts to finding critical points of a quadratic function subject to quadratic constraints. In this paper we show that a certain class of constrained optimization problems with nonquadratic objective and constraints can be understood as nonlinear eigenproblems. We derive a generalization of the inverse power method which is guaranteed to converge to a nonlinear eigenvector. We apply the inverse power method to 1-spect…
We study a practical algorithm for sparse principal component analysis (PCA) of incomplete and noisy data. Our algorithm is based on the semidefinite program (SDP) relaxation of the non-convex $l_1$-regularized PCA problem. We provide theoretical and experimental evidence that SDP enables us to exactly recover the true support of the sparse leading eigenvector of the unknown true matrix, despite only observing an incomplete (missing uniformly at random) and noisy version of it. We derive sufficient conditions for exact recovery, which involve matrix incoherence, the spectral gap between the la…
EPHE-PSL University（巴黎高等实践研究大学-巴黎文理研究大学）；Ho Chi Minh University of Technology（胡志明市技术大学）
Face recognition is the important field in machine learning and pattern recognition research area. It has a lot of applications in military, finance, public security, to name a few. In this paper, the combination of the tensor sparse PCA with the nearest-neighbor method (and with the kernel ridge regression method) will be proposed and applied to the face dataset. Experimental results show that the combination of the tensor sparse PCA with any classification system does not always reach the best accuracy performance measures. However, the accuracy of the combination of the sparse PCA method an…
We analyze a practical algorithm for sparse PCA on incomplete and noisy data under a general non-random sampling scheme. The algorithm is based on a semidefinite relaxation of the $\ell_1$-regularized PCA problem. We provide theoretical justification that under certain conditions, we can recover the support of the sparse leading eigenvector with high probability by obtaining a unique solution. The conditions involve the spectral gap between the largest and second-largest eigenvalues of the true data matrix, the magnitude of the noise, and the structural properties of the observed entries. The …
International Computer Science Institute（国际计算机科学研究所）；University of California Berkeley（加州大学伯克利分校）；Xerox Research Centre India（施乐印度研究中心）；Purdue University（普渡大学）
We present and analyze a simple, two-step algorithm to approximate the optimal solution of the sparse PCA problem. Our approach first solves a L1 penalized version of the NP-hard sparse PCA optimization problem and then uses a randomized rounding strategy to sparsify the resulting dense solution. Our main theoretical result guarantees an additive error approximation and provides a tradeoff between sparsity and accuracy. Our experimental evaluation indicates that our approach is competitive in practice, even compared to state-of-the-art toolboxes such as Spasm.
Sparse PCA with False Discovery Rate Controlled Variable Selection
Technische Universität Darmstadt（达姆施塔特工业大学）；Conservatoire National des Arts et Métiers（法国国立工艺学院）；The Hong Kong University of Science and Technology（香港科技大学）
We consider the following multi-component sparse PCA problem: given a set of data points, we seek to extract a small number of sparse components with disjoint supports that jointly capture the maximum possible variance. These components can be computed one by one, repeatedly solving the single-component problem and deflating the input data matrix, but as we show this greedy procedure is suboptimal. We present a novel algorithm for sparse PCA that jointly optimizes multiple disjoint components. The extracted features capture variance that lies within a multiplicative factor arbitrarily close to…
Huazhong University of Science and Technology（华中科技大学）；University of Technology Sydney（悉尼科技大学）
Dimensionality reduction is an important operation in information visualization, feature extraction, clustering, regression, and classification, especially for processing noisy high dimensional data. However, most existing approaches preserve either the global or the local structure of the data, but not both. Approaches that preserve only the global data structure, such as principal component analysis (PCA), are usually sensitive to outliers. Approaches that preserve only the local data structure, such as locality preserving projections, are usually unsupervised (and hence cannot use label inf…
Principal component analysis (PCA) is widely used for dimension reduction and embedding of real data in social network analysis, information retrieval, and natural language processing, etc. In this work we propose a fast randomized PCA algorithm for processing large sparse data. The algorithm has similar accuracy to the basic randomized SVD (rPCA) algorithm (Halko et al., 2011), but is largely optimized for sparse data. It also has good flexibility to trade off runtime against accuracy for practical usage. Experiments on real data show that the proposed algorithm is up to 9.1X faster than the …
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…
Chinese University of Hong Kong（香港中文大学）；Microsoft Research New England（微软新英格兰研究院）；UC Berkeley（加州大学伯克利分校）；Simons Institute for the Theory of Computing（西蒙斯计算理论研究所）
It is well known that Sparse PCA (Sparse Principal Component Analysis) is NP-hard to solve exactly on worst-case instances. What is the complexity of solving Sparse PCA approximately? Our contributions include: 1) a simple and efficient algorithm that achieves an $n^{-1/3}$-approximation; 2) NP-hardness of approximation to within $(1-\varepsilon)$, for some small constant $\varepsilon > 0$; 3) SSE-hardness of approximation to within any constant factor; and 4) an $\exp\exp\left(Ω\left(\sqrt{\log \log n}\right)\right)$ ("quasi-quasi-polynomial") gap for the standard semidefinite program.
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…
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 …
Sparse principal component analysis (PCA) involves nonconvex optimization for which the global solution is hard to obtain. To address this issue, one popular approach is convex relaxation. However, such an approach may produce suboptimal estimators due to the relaxation effect. To optimally estimate sparse principal subspaces, we propose a two-stage computational framework named "tighten after relax": Within the 'relax' stage, we approximately solve a convex relaxation of sparse PCA with early stopping to obtain a desired initial estimator; For the 'tighten' stage, we propose a novel algorithm…
Face recognition is the very significant field in pattern recognition area. It has multiple applications in military and finance, to name a few. In this paper, the combination of the sparse PCA with the nearest-neighbor method (and with the kernel ridge regression method) will be proposed and will be applied to solve the face recognition problem. Experimental results illustrate that the accuracy of the combination of the sparse PCA method (using the proximal gradient method and the FISTA method) and one specific classification system may be lower than the accuracy of the combination of the PCA…
We discuss a clustering method for Gaussian mixture model based on the sparse principal component analysis (SPCA) method and compare it with the IF-PCA method. We also discuss the dependent case where the covariance matrix $Σ$ is not necessarily diagonal.
Sparse versions of principal component analysis (PCA) have imposed themselves as simple, yet powerful ways of selecting relevant features of high-dimensional data in an unsupervised manner. However, when several sparse principal components are computed, the interpretation of the selected variables is difficult since each axis has its own sparsity pattern and has to be interpreted separately. To overcome this drawback, we propose a Bayesian procedure called globally sparse probabilistic PCA (GSPPCA) that allows to obtain several sparse components with the same sparsity pattern. This allows the …
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 study sparse principal components analysis in the high-dimensional setting, where $p$ (the number of variables) can be much larger than $n$ (the number of observations). We prove optimal, non-asymptotic lower and upper bounds on the minimax estimation error for the leading eigenvector when it belongs to an $\ell_q$ ball for $q \in [0,1]$. Our bounds are sharp in $p$ and $n$ for all $q \in [0, 1]$ over a wide class of distributions. The upper bound is obtained by analyzing the performance of $\ell_q$-constrained PCA. In particular, our results provide convergence rates for $\ell_1$-constrain…
Sparse Principal Component Analysis (PCA) methods are efficient tools to reduce the dimension (or the number of variables) of complex data. Sparse principal components (PCs) are easier to interpret than conventional PCs, because most loadings are zero. We study the asymptotic properties of these sparse PC directions for scenarios with fixed sample size and increasing dimension (i.e. High Dimension, Low Sample Size (HDLSS)). Under the previously studied spike covariance assumption, we show that Sparse PCA remains consistent under the same large spike condition that was previously established fo…
Sparse Principal Component Analysis (PCA) is a prevalent tool across a plethora of subfields of applied statistics. While several results have characterized the recovery error of the principal eigenvectors, these are typically in spectral or Frobenius norms. In this paper, we provide entrywise $\ell_{2,\infty}$ bounds for Sparse PCA under a general high-dimensional subgaussian design. In particular, our results hold for any algorithm that selects the correct support with high probability, those that are sparsistent. Our bound improves upon known results by providing a finer characterization of…
The University of Queensland（昆士兰大学）；University of Texas at Arlington（德克萨斯大学阿灵顿分校）
Principal component analysis (PCA) has been widely applied to dimensionality reduction and data pre-processing for different applications in engineering, biology and social science. Classical PCA and its variants seek for linear projections of the original variables to obtain a low dimensional feature representation with maximal variance. One limitation is that it is very difficult to interpret the results of PCA. In addition, the classical PCA is vulnerable to certain noisy data. In this paper, we propose a convex sparse principal component analysis (CSPCA) algorithm and apply it to feature a…
National University of Singapore（新加坡国立大学）；ETH Zürich（苏黎世联邦理工学院）
We study the problem of sparse tensor principal component analysis: given a tensor $\pmb Y = \pmb W + λx^{\otimes p}$ with $\pmb W \in \otimes^p\mathbb{R}^n$ having i.i.d. Gaussian entries, the goal is to recover the $k$-sparse unit vector $x \in \mathbb{R}^n$. The model captures both sparse PCA (in its Wigner form) and tensor PCA. For the highly sparse regime of $k \leq \sqrt{n}$, we present a family of algorithms that smoothly interpolates between a simple polynomial-time algorithm and the exponential-time exhaustive search algorithm. For any $1 \leq t \leq k$, our algorithms recovers the sp…
The presence of a sparse "truth" has been a constant assumption in the theoretical analysis of sparse PCA and is often implicit in its methodological development. This naturally raises questions about the properties of sparse PCA methods and how they depend on the assumption of sparsity. Under what conditions can the relevant variables be selected consistently if the truth is assumed to be sparse? What can be said about the results of sparse PCA without assuming a sparse and unique truth? We answer these questions by investigating the properties of the recently proposed Fantope projection and …
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 …
Sparse Principal Component Analysis (PCA) is a dimensionality reduction technique wherein one seeks a low-rank representation of a data matrix with additional sparsity constraints on the obtained representation. We consider two probabilistic formulations of sparse PCA: a spiked Wigner and spiked Wishart (or spiked covariance) model. We analyze an Approximate Message Passing (AMP) algorithm to estimate the underlying signal and show, in the high dimensional limit, that the AMP estimates are information-theoretically optimal. As an immediate corollary, our results demonstrate that the posterior …
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-…
Hong Kong University of Science and Technology（香港科技大学）
The problem of estimating sparse eigenvectors of a symmetric matrix attracts a lot of attention in many applications, especially those with high dimensional data set. While classical eigenvectors can be obtained as the solution of a maximization problem, existing approaches formulate this problem by adding a penalty term into the objective function that encourages a sparse solution. However, the resulting methods achieve sparsity at the expense of sacrificing the orthogonality property. In this paper, we develop a new method to estimate dominant sparse eigenvectors without trading off their or…
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…
University of Minnesota（明尼苏达大学）；Princeton University（普林斯顿大学）
We consider the decomposition of a data matrix assumed to be a superposition of a low-rank matrix and a component which is sparse in a known dictionary, using a convex demixing method. We consider two sparsity structures for the sparse factor of the dictionary sparse component, namely entry-wise and column-wise sparsity, and provide a unified analysis, encompassing both undercomplete and the overcomplete dictionary cases, to show that the constituent matrices can be successfully recovered under some relatively mild conditions on incoherence, sparsity, and rank. We leverage these results to loc…
Visual Computing Center（视觉计算中心）；Industrial and Systems Engineering（工业与系统工程系）
Given a multivariate data set, sparse principal component analysis (SPCA) aims to extract several linear combinations of the variables that together explain the variance in the data as much as possible, while controlling the number of nonzero loadings in these combinations. In this paper we consider 8 different optimization formulations for computing a single sparse loading vector; these are obtained by combining the following factors: we employ two norms for measuring variance (L2, L1) and two sparsity-inducing norms (L0, L1), which are used in two different ways (constraint, penalty). Three …
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 the past decade, sparse principal component analysis has emerged as an archetypal problem for illustrating statistical-computational tradeoffs. This trend has largely been driven by a line of research aiming to characterize the average-case complexity of sparse PCA through reductions from the planted clique (PC) conjecture - which conjectures that there is no polynomial-time algorithm to detect a planted clique of size $K = o(N^{1/2})$ in $\mathcal{G}(N, \frac{1}{2})$. All previous reductions to sparse PCA either fail to show tight computational lower bounds matching existing algorithms or …
This work studies the robust subspace tracking (ST) problem. Robust ST can be simply understood as a (slow) time-varying subspace extension of robust PCA. It assumes that the true data lies in a low-dimensional subspace that is either fixed or changes slowly with time. The goal is to track the changing subspaces over time in the presence of additive sparse outliers and to do this quickly (with a short delay). We introduce a "fast" mini-batch robust ST solution that is provably correct under mild assumptions. Here "fast" means two things: (i) the subspace changes can be detected and the subspac…
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…
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…
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…
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…
Indian Institute of Technology Madras（印度理工学院马德拉斯分校）
Robust PCA, the problem of PCA in the presence of outliers has been extensively investigated in the last few years. Here we focus on Robust PCA in the column sparse outlier model. The existing methods for column sparse outlier model assumes either the knowledge of the dimension of the lower dimensional subspace or the fraction of outliers in the system. However in many applications knowledge of these parameters is not available. Motivated by this we propose a parameter free outlier identification method for robust PCA which a) does not require the knowledge of outlier fraction, b) does not req…
The CUR decomposition provides an approximation of a matrix $X$ that has low reconstruction error and that is sparse in the sense that the resulting approximation lies in the span of only a few columns of $X$. In this regard, it appears to be similar to many sparse PCA methods. However, CUR takes a randomized algorithmic approach, whereas most sparse PCA methods are framed as convex optimization problems. In this paper, we try to understand CUR from a sparse optimization viewpoint. We show that CUR is implicitly optimizing a sparse regression objective and, furthermore, cannot be directly cast…
In this paper, we propose a new method to perform Sparse Kernel Principal Component Analysis (SKPCA) and also mathematically analyze the validity of SKPCA. We formulate SKPCA as a constrained optimization problem with elastic net regularization (Hastie et al.) in kernel feature space and solve it. We consider outlier detection (where KPCA is employed) as an application for SKPCA, using the RBF kernel. We test it on 5 real-world datasets and show that by using just 4% (or even less) of the principal components (PCs), where each PC has on average less than 12% non-zero elements in the worst case…
