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, with sparse regularization. The proposed method enables us to obtain principal component loadings that possess information about both explanatory variables and a response variable. An estimation algorithm is developed by using alternating direction method of multipliers. We conduct numerical studies to show the effectiveness of the proposed method.
We propose a new two stage algorithm LING for large scale regression problems. LING has the same risk as the well known Ridge Regression under the fixed design setting and can be computed much faster. Our experiments have shown that LING performs well in terms of both prediction accuracy and computational efficiency compared with other large scale regression algorithms like Gradient Descent, Stochastic Gradient Descent and Principal Component Regression on both simulated and real datasets.
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…
Stanford University（斯坦福大学）；MIT（麻省理工学院）；Microsoft Research, New England（新英格兰微软研究院）
We show how to efficiently project a vector onto the top principal components of a matrix, without explicitly computing these components. Specifically, we introduce an iterative algorithm that provably computes the projection using few calls to any black-box routine for ridge regression. By avoiding explicit principal component analysis (PCA), our algorithm is the first with no runtime dependence on the number of top principal components. We show that it can be used to give a fast iterative method for the popular principal component regression problem, giving the first major runtime improvemen…
We analyse the prediction error of principal component regression (PCR) and prove non-asymptotic upper bounds for the corresponding squared risk. Under mild assumptions, we show that PCR performs as well as the oracle method obtained by replacing empirical principal components by their population counterparts. Our approach relies on upper bounds for the excess risk of principal component analysis.
École Polytechnique Fédérale de Lausanne（洛桑联邦理工学院）
Data analyses based on linear methods constitute the simplest, most robust, and transparent approaches to the automatic processing of large amounts of data for building supervised or unsupervised machine learning models. Principal covariates regression (PCovR) is an underappreciated method that interpolates between principal component analysis and linear regression, and can be used to conveniently reveal structure-property relations in terms of simple-to-interpret, low-dimensional maps. Here we provide a pedagogic overview of these data analysis schemes, including the use of the kernel trick t…
In scientific applications, multivariate observations often come in tandem with temporal or spatial covariates, with which the underlying signals vary smoothly. The standard approaches such as principal component analysis and factor analysis neglect the smoothness of the data, while multivariate linear or nonparametric regression fail to leverage the correlation information among multivariate response variables. We propose a novel approach named nonparametric principal subspace regression to overcome these issues. By decoupling the model discrepancy, a simple and general two-step framework is …
Principal loading analysis is a dimension reduction method that discards variables which have only a small distorting effect on the covariance matrix. As a special case, principal loading analysis discards variables that are not correlated with the remaining ones. In multivariate linear regression on the other hand, predictors that are neither correlated with both the remaining predictors nor with the dependent variables have a regression coefficients equal to zero. Hence, if the goal is to select a number of predictors, variables that do not correlate are discarded as it is also done in princ…
School of Economics and Management, Beijing University of Technology（北京工业大学经济与管理学院）；Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences（中国科学院生态环境研究中心）；Faculty of Mathematics and Statistics, Hubei University（湖北大学数学与统计学院）；Toyota Technological Institute（丰田工业大学）；Beijing Research Institute of Uranium Geology（北京铀矿地质研究所）
Motivated by the Bagging Partial Least Squares (PLS) and Principal Component Analysis (PCA) algorithms, we propose a Principal Model Analysis (PMA) method in this paper. In the proposed PMA algorithm, the PCA and the PLS are combined. In the method, multiple PLS models are trained on sub-training sets, derived from the original training set based on the random sampling with replacement method. The regression coefficients of all the sub-PLS models are fused in a joint regression coefficient matrix. The final projection direction is then estimated by performing the PCA on the joint regression co…
This is a tutorial and survey paper on various methods for Sufficient Dimension Reduction (SDR). We cover these methods with both statistical high-dimensional regression perspective and machine learning approach for dimensionality reduction. We start with introducing inverse regression methods including Sliced Inverse Regression (SIR), Sliced Average Variance Estimation (SAVE), contour regression, directional regression, Principal Fitted Components (PFC), Likelihood Acquired Direction (LAD), and graphical regression. Then, we introduce forward regression methods including Principal Hessian Dir…
In areas of application, including actuarial science and demography, it is increasingly common to consider a time series of curves; an example of this is age-specific mortality rates observed over a period of years. Given that age can be treated as a discrete or continuous variable, a dimension reduction technique, such as principal component analysis, is often implemented. However, in the presence of moderate to strong temporal dependence, static principal component analysis commonly used for analyzing independent and identically distributed data may not be adequate. As an alternative, we con…
We propose a nested reduced-rank regression (NRRR) approach in fitting regression model with multivariate functional responses and predictors, to achieve tailored dimension reduction and facilitate interpretation/visualization of the resulting functional model. Our approach is based on a two-level low-rank structure imposed on the functional regression surfaces. A global low-rank structure identifies a small set of latent principal functional responses and predictors that drives the underlying regression association. A local low-rank structure then controls the complexity and smoothness of the…
Identifying Neural Signatures from fMRI using Hybrid Principal Components Regression
Department of Biostatistics and Informatics, University of Colorado Anschutz Medical Campus（生物统计学与信息学系，科罗拉多大学安施图茨医疗校区）；Department of Biostatistics and Bioinformatics, Emory University（生物统计学与生物信息学系，埃默里大学）；Department of Radiology, University of Colorado Anschutz Medical Campus（放射学系，科罗拉多大学安施图茨医疗校区）；Laureate Institute for Brain Research, Tulsa, OK, USA（脑研究拉奥尔特研究所，俄克拉荷马州塔尔萨市）；Department of Community Medicine, University of Tulsa（社区医学系，塔尔萨大学）；Department of Internal Medicine, Carver College of Medicine, University of Iowa（内科学系，卡弗医学院，爱荷华大学）
Research Center for Information Technology Innovation, Academia Sinica（中央研究院资讯科技创新研究中心）
Informed by recent work on tensor singular value decomposition and circulant algebra matrices, this paper presents a new theoretical bridge that unifies the hypercomplex and tensor-based approaches to singular value decomposition and robust principal component analysis. We begin our work by extending the principal component pursuit to Olariu's polar $n$-complex numbers as well as their bicomplex counterparts. In so doing, we have derived the polar $n$-complex and $n$-bicomplex proximity operators for both the $\ell_1$- and trace-norm regularizers, which can be used by proximal optimization met…
Multivariate binary data is becoming abundant in current biological research. Logistic principal component analysis (PCA) is one of the commonly used tools to explore the relationships inside a multivariate binary data set by exploiting the underlying low rank structure. We re-expressed the logistic PCA model based on the latent variable interpretation of the generalized linear model on binary data. The multivariate binary data set is assumed to be the sign observation of an unobserved quantitative data set, on which a low rank structure is assumed to exist. However, the standard logistic PCA …
PCA (Principal Component Analysis) and its variants areubiquitous techniques for matrix dimension reduction and reduced-dimensionlatent-factor extraction. One significant challenge in using PCA, is thechoice of the number of principal components. The information-theoreticMDL (Minimum Description Length) principle gives objective compression-based criteria for model selection, but it is difficult to analytically applyits modern definition - NML (Normalized Maximum Likelihood) - to theproblem of PCA. This work shows a general reduction of NML prob-lems to lower-dimension problems. Applying this …
We consider nonparametric estimation of the mean and covariance functions for functional/longitudinal data. Strong uniform convergence rates are developed for estimators that are local-linear smoothers. Our results are obtained in a unified framework in which the number of observations within each curve/cluster can be of any rate relative to the sample size. We show that the convergence rates for the procedures depend on both the number of sample curves and the number of observations on each curve. For sparse functional data, these rates are equivalent to the optimal rates in nonparametric reg…
Principal Component Analysis (PCA) is a well known procedure to reduce intrinsic complexity of a dataset, essentially through simplifying the covariance structure or the correlation structure. We introduce a novel algebraic, model-based point of view and provide in particular an extension of the PCA to distributions without second moments by formulating the PCA as a best low rank approximation problem. In contrast to hitherto existing approaches, the approximation is based on a kind of spectral representation, and not on the real space. Nonetheless, the prominent role of the eigenvectors is he…
Objective: In some situations that exist both scalar and functional data, called mixed and hybrid data, the hybrid PCA (HPCA) was introduced. Among the regression models for the hybrid data, we can count covariate-adjusted HPCA, the Semi-functional partial linear regression, function-on-function (FOF) regression with signal compression, and functional additive regression, models. In this article, we study the effects of HPCA decomposition of hybrid data on the prediction accuracy of the FOF regression with signal compressions. Method: We stated a two-step procedure for incorporating the HPCA i…
Growth charts are widely used in pediatric care for assessing childhood body size measurements (e.g., height or weight). The existing growth charts screen one body size at a single given age. However, when a child has multiple measures over time and exhibits a growth path, how to assess those measures jointly in a rigorous and quantitative way remains largely undeveloped in the literature. In this paper, we develop a new method to construct growth charts for growth paths. A new estimation algorithm using alternating regressions is developed to obtain principal component representations of grow…
Online dimension reduction is a common method for high-dimensional streaming data processing. Online principal component analysis, online sliced inverse regression, online kernel principal component analysis and other methods have been studied in depth, but as far as we know, online supervised nonlinear dimension reduction methods have not been fully studied. In this article, an online kernel sliced inverse regression method is proposed. By introducing the approximate linear dependence condition and dictionary variable sets, we address the problem of increasing variable dimensions with the sam…
Low-rank matrix regression refers to the instances of recovering a low-rank matrix based on specially designed measurements and the corresponding noisy outcomes. In the last decade, numerous statistical methodologies have been developed for efficiently recovering the unknown low-rank matrices. However, in some applications, the unknown singular subspace is scientifically more important than the low-rank matrix itself. In this article, we revisit the low-rank matrix regression model and introduce a two-step procedure to construct confidence regions of the singular subspace. The procedure involv…
This paper introduces a new unsupervised method for dimensionality reduction via regression (DRR). The algorithm belongs to the family of invertible transforms that generalize Principal Component Analysis (PCA) by using curvilinear instead of linear features. DRR identifies the nonlinear features through multivariate regression to ensure the reduction in redundancy between he PCA coefficients, the reduction of the variance of the scores, and the reduction in the reconstruction error. More importantly, unlike other nonlinear dimensionality reduction methods, the invertibility, volume-preservati…
Tensor completion and robust principal component analysis have been widely used in machine learning while the key problem relies on the minimization of a tensor rank that is very challenging. A common way to tackle this difficulty is to approximate the tensor rank with the $\ell_1-$norm of singular values based on its Tensor Singular Value Decomposition (T-SVD). Besides, the sparsity of a tensor is also measured by its $\ell_1-$norm. However, the $\ell_1$ penalty is essentially biased and thus the result will deviate. In order to sidestep the bias, we propose a novel non-convex tensor rank sur…
Recent years have witnessed intense development of randomized methods for low-rank approximation. These methods target principal component analysis (PCA) and the calculation of truncated singular value decompositions (SVD). The present paper presents an essentially black-box, fool-proof implementation for Mathworks' MATLAB, a popular software platform for numerical computation. As illustrated via several tests, the randomized algorithms for low-rank approximation outperform or at least match the classical techniques (such as Lanczos iterations) in basically all respects: accuracy, computationa…
We compare the risk of ridge regression to a simple variant of ordinary least squares, in which one simply projects the data onto a finite dimensional subspace (as specified by a Principal Component Analysis) and then performs an ordinary (un-regularized) least squares regression in this subspace. This note shows that the risk of this ordinary least squares method is within a constant factor (namely 4) of the risk of ridge regression.
Adaptive nuclear-norm penalization is proposed for low-rank matrix approximation, by which we develop a new reduced-rank estimation method for the general high-dimensional multivariate regression problems. The adaptive nuclear norm of a matrix is defined as the weighted sum of the singular values of the matrix. For example, the pre-specified weights may be some negative power of the singular values of the data matrix (or its projection in regression setting). The adaptive nuclear norm is generally non-convex under the natural restriction that the weight decreases with the singular value. Howev…
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 …
Which components of the singular value decomposition of a signal-plus-noise data matrix are most informative for the inferential task of detecting or estimating an embedded low-rank signal matrix? Principal component analysis ascribes greater importance to the components that capture the greatest variation, i.e., the singular vectors associated with the largest singular values. This choice is often justified by invoking the Eckart-Young theorem even though that work addresses the problem of how to best represent a signal-plus-noise matrix using a low-rank approximation and not how to best_infe…
We derive an exact p-value for testing a global null hypothesis in a general adaptive regression problem. The general approach uses the Kac-Rice formula, as described in (Adler & Taylor 2007). The resulting formula is exact in finite samples, requiring only Gaussianity of the errors. We apply the formula to the lasso, group lasso, and principal components and matrix completion problems. In the case of the lasso, the new test relates closely to the recently proposed covariance test of Lockhart et al. (2013).
Compositional data are multivariate observations that carry only relative information between components. Applying standard multivariate statistical methodology directly to analyze compositional data can lead to paradoxes and misinterpretations. Compositional data also frequently appear in insurance, especially with telematics information. However, such type of data does not receive deserved special treatment in most existing actuarial literature. In this paper, we explore and investigate the use of exponential family principal component analysis (EPCA) to analyze compositional data in insuran…
Principal component regression (PCR) is a two-stage procedure that selects some principal components and then constructs a regression model regarding them as new explanatory variables. Note that the principal components are obtained from only explanatory variables and not considered with the response variable. To address this problem, we propose the sparse principal component regression (SPCR) that is a one-stage procedure for PCR. SPCR enables us to adaptively obtain sparse principal component loadings that are related to the response variable and select the number of principal components sim…
Consider a standard white Wishart matrix with parameters $n$ and $p$. Motivated by applications in high-dimensional statistics and signal processing, we perform asymptotic analysis on the maxima and minima of the eigenvalues of all the $m \times m$ principal minors, under the asymptotic regime that $n,p,m$ go to infinity. Asymptotic results concerning extreme eigenvalues of principal minors of real Wigner matrices are also obtained. In addition, we discuss an application of the theoretical results to the construction of compressed sensing matrices, which provides insights to compressed sensing…
Principal component regression (PCR) is a widely used two-stage procedure: principal component analysis (PCA), followed by regression in which the selected principal components are regarded as new explanatory variables in the model. Note that PCA is based only on the explanatory variables, so the principal components are not selected using the information on the response variable. In this paper, we propose a one-stage procedure for PCR in the framework of generalized linear models. The basic loss function is based on a combination of the regression loss and PCA loss. An estimate of the regress…
Case Western Reserve University（凯斯西储大学）；Florida International University（佛罗里达国际大学）；Kent State University（肯特州立大学）；National Institute on Aging, National Institute of Health（美国国立卫生研究院国家老龄化研究所）；Fordham University（福特汉姆大学）
This paper presents a sublinear classical algorithm for principal component regression. The algorithm uses quantum-inspired linear algebra, an idea developed by Tang. Using this technique, her algorithm for recommendation systems achieved runtime only polynomially slower than its quantum counterpart. Her work was quickly adapted to solve many other problems in sublinear time complexity. In this work, we developed an algorithm for principal component regression that runs in time polylogarithmic to the number of data points, an exponential speed up over the state-of-the-art algorithm, under the …
Principal Components Regression (PCR) is a traditional tool for dimension reduction in linear regression that has been both criticized and defended. One concern about PCR is that obtaining the leading principal components tends to be computationally demanding for large data sets. While random projections do not possess the optimality properties of the leading principal subspace, they are computationally appealing and hence have become increasingly popular in recent years. In this paper, we present an analysis showing that for random projections satisfying a Johnson-Lindenstrauss embedding prop…
We study least squares linear regression over $N$ uncorrelated Gaussian features that are selected in order of decreasing variance. When the number of selected features $p$ is at most the sample size $n$, the estimator under consideration coincides with the principal component regression estimator; when $p>n$, the estimator is the least $\ell_2$ norm solution over the selected features. We give an average-case analysis of the out-of-sample prediction error as $p,n,N \to \infty$ with $p/N \to α$ and $n/N \to β$, for some constants $α\in [0,1]$ and $β\in (0,1)$. In this average-case setting, the…
This paper characterizes the conditional distribution properties of the finite sample ridge regression estimator and uses that result to evaluate total regression and generalization errors that incorporate the inaccuracies committed at the time of parameter estimation. The paper provides explicit formulas for those errors. Unlike other classical references in this setup, our results take place in a fully singular setup that does not assume the existence of a solution for the non-regularized regression problem. In exchange, we invoke a conditional homoscedasticity hypothesis on the regularized …
Principal component regression (PCR) is a simple, but powerful and ubiquitously utilized method. Its effectiveness is well established when the covariates exhibit low-rank structure. However, its ability to handle settings with noisy, missing, and mixed-valued, i.e., discrete and continuous, covariates is not understood and remains an important open challenge. As the main contribution of this work we establish the robustness of PCR, without any change, in this respect and provide meaningful finite-sample analysis. To do so, we establish that PCR is equivalent to performing linear regression af…
