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 of its components given others is a linear function of the conditioning set. This observation allows us to obtain robust FPCA estimators by using robust local regression methods. The finite sample performance of our proposal is explored through a simulation study that shows that, as expected, the robust method outperforms existing alternatives when the data are contaminated. Furthermore, we also see that for samples that do not contain outliers the non-robust variant of our proposal compares favourably to the existing alternative in the literature. A real data example is also presented.
Functional principal component analysis is essential in functional data analysis, but the inferences will become unconvincing when some non-Gaussian characteristics occur, such as heavy tail and skewness. The focus of this paper is to develop a robust functional principal component analysis methodology in dealing with non-Gaussian longitudinal data, for which sparsity and irregularity along with non-negligible measurement errors must be considered. We introduce a Kendall's $τ$ function whose particular properties make it a nice proxy for the covariance function in the eigenequation when handli…
When considering functional principal component analysis for sparsely observed longitudinal data that take values on a nonlinear manifold, a major challenge is how to handle the sparse and irregular observations that are commonly encountered in longitudinal studies. Addressing this challenge, we provide theory and implementations for a manifold version of the principal analysis by conditional expectation (PACE) procedure that produces representations intrinsic to the manifold, extending a well-established version of functional principal component analysis targeting sparsely sampled longitudina…
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…
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…
We propose a nonparametric method to explicitly model and represent the derivatives of smooth underlying trajectories for longitudinal data. This representation is based on a direct Karhunen--Loève expansion of the unobserved derivatives and leads to the notion of derivative principal component analysis, which complements functional principal component analysis, one of the most popular tools of functional data analysis. The proposed derivative principal component scores can be obtained for irregularly spaced and sparsely observed longitudinal data, as typically encountered in biomedical studie…
Penalized variable selection for high dimensional longitudinal data has received much attention as accounting for the correlation among repeated measurements and providing additional and essential information for improved identification and prediction performance. Despite the success, in longitudinal studies the potential of penalization methods is far from fully understood for accommodating structured sparsity. In this article, we develop a sparse group penalization method to conduct the bi-level gene-environment (G$\times$E) interaction study under the repeatedly measured phenotype. Within t…
In this article, we consider the problem of recovering the underlying trajectory when the longitudinal data are sparsely and irregularly observed and noise-contaminated. Such data are popularly analyzed with functional principal component analysis via the Principal Analysis by Conditional Estimation (PACE) method. The PACE method may sometimes be numerically unstable because it involves the inverse of the covariance matrix. We propose a sparse orthonormal approximation (SOAP) method as an alternative. It estimates the optimal empirical basis functions in the best approximation framework rather…
Functional principal component analysis is one of the most commonly employed approaches in functional and longitudinal data analysis and we extend it to analyze functional/longitudinal data observed on a general $d$-dimensional domain. The computational issues emerging in the extension are fully addressed with our proposed solutions. The local linear smoothing technique is employed to perform estimation because of its capabilities of performing large-scale smoothing and of handling data with different sampling schemes (possibly on irregular domain) in addition to its nice theoretical propertie…
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…
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…
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 propose novel methods for predictive (sparse) PCA with spatially misaligned data. These methods identify principal component loading vectors that explain as much variability in the observed data as possible, while also ensuring the corresponding principal component scores can be predicted accurately by means of spatial statistics at locations where air pollution measurements are not available. This will make it possible to identify important mixtures of air pollutants and to quantify their health effects in cohort studies, where currently available methods cannot be used. We demonstrate the…
Variable-Projection Sparse Functional Principal Component Analysis: Interpretable Functional Dimensionality Reduction with Applications to Raman Spectral Data
Institute of Mathematical Sciences, Faculty of Science, Universiti Malaya（马来亚大学理学院数学科学研究所）；Centre of Research for Statistical Modelling and Methodology, Faculty of Science, Universiti Malaya（马来亚大学理学院统计建模与方法研究中心）；School of Mathematics and Statistics, University of Glasgow（格拉斯哥大学数学与统计学院）；Univ. Lille, CNRS, UMR 8524 – Laboratoire Paul Painlevé, Inria-Datavers（里尔大学、法国国家科学研究中心UMR 8524保罗·潘勒瓦实验室、Inria-Datavers）
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…
Smoothing of noisy sample covariances is an important component in functional data analysis. We propose a novel covariance smoothing method based on penalized splines and associated software. The proposed method is a bivariate spline smoother that is designed for covariance smoothing and can be used for sparse functional or longitudinal data. We propose a fast algorithm for covariance smoothing using leave-one-subject-out cross validation. Our simulations show that the proposed method compares favorably against several commonly used methods. The method is applied to a study of child growth led…
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…
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…
Data integration, or the strategic analysis of multiple sources of data simultaneously, can often lead to discoveries that may be hidden in individualistic analyses of a single data source. We develop a new unsupervised data integration method named Integrated Principal Components Analysis (iPCA), which is a model-based generalization of PCA and serves as a practical tool to find and visualize common patterns that occur in multiple data sets. The key idea driving iPCA is the matrix-variate normal model, whose Kronecker product covariance structure captures both individual patterns within each …
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…
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 an estimation approach to analyse correlated functional data which are observed on unequal grids or even sparsely. The model we use is a functional linear mixed model, a functional analogue of the linear mixed model. Estimation is based on dimension reduction via functional principal component analysis and on mixed model methodology. Our procedure allows the decomposition of the variability in the data as well as the estimation of mean effects of interest and borrows strength across curves. Confidence bands for mean effects can be constructed conditional on estimated principal compo…
Classical multivariate principal component analysis has been extended to functional data and termed functional principal component analysis (FPCA). Most existing FPCA approaches do not accommodate covariate information, and it is the goal of this paper to develop two methods that do. In the first approach, both the mean and covariance functions depend on the covariate $Z$ and time scale $t$ while in the second approach only the mean function depends on the covariate $Z$. Both new approaches accommodate additional measurement errors and functional data sampled at regular time grids as well as s…
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…
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…
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 …
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…
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…
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 …
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…
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…
We present a new method for the detection of gene pathways associated with a multivariate quantitative trait, and use it to identify causal pathways associated with an imaging endophenotype characteristic of longitudinal structural change in the brains of patients with Alzheimer's disease (AD). Our method, known as pathways sparse reduced-rank regression (PsRRR), uses group lasso penalised regression to jointly model the effects of genome-wide single nucleotide polymorphisms (SNPs), grouped into functional pathways using prior knowledge of gene-gene interactions. Pathways are ranked in order o…
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 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…
We study the problem of estimating the leading eigenvectors of a high-dimensional population covariance matrix based on independent Gaussian observations. We establish lower bounds on the rates of convergence of the estimators of the leading eigenvectors under $l^q$-sparsity constraints when an $l^2$ loss function is used. We also propose an estimator of the leading eigenvectors based on a coordinate selection scheme combined with PCA and show that the proposed estimator achieves the optimal rate of convergence under a sparsity regime. Moreover, we establish that under certain scenarios, the u…
Functional data analysis on nonlinear manifolds has drawn recent interest. Sphere-valued functional data, which are encountered for example as movement trajectories on the surface of the earth, are an important special case. We consider an intrinsic principal component analysis for smooth Riemannian manifold-valued functional data and study its asymptotic properties. Riemannian functional principal component analysis (RFPCA) is carried out by first mapping the manifold-valued data through Riemannian logarithm maps to tangent spaces around the time-varying Fréchet mean function, and then perfor…
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…
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…
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…
