We propose a spectral clustering method based on local principal components analysis (PCA). After performing local PCA in selected neighborhoods, the algorithm builds a nearest neighbor graph weighted according to a discrepancy between the principal subspaces in the neighborhoods, and then applies spectral clustering. As opposed to standard spectral methods based solely on pairwise distances between points, our algorithm is able to resolve intersections. We establish theoretical guarantees for simpler variants within a prototypical mathematical framework for multi-manifold clustering, and evaluate our algorithm on various simulated data sets.
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.
Spectral clustering is a popular algorithm that clusters points using the eigenvalues and eigenvectors of Laplacian matrices derived from the data. For years, spectral clustering has been working mysteriously. This paper explains spectral clustering by dividing it into two categories based on whether the graph Laplacian is fully connected or not. For a fully connected graph, this paper demonstrates the dimension reduction part by offering an objective function: the covariance between the original data points' similarities and the mapped data points' similarities. For a multi-connected graph, t…
In several application domains, high-dimensional observations are collected and then analysed in search for naturally occurring data clusters which might provide further insights about the nature of the problem. In this paper we describe a new approach for partitioning such high-dimensional data. Our assumption is that, within each cluster, the data can be approximated well by a linear subspace estimated by means of a principal component analysis (PCA). The proposed algorithm, Predictive Subspace Clustering (PSC) partitions the data into clusters while simultaneously estimating cluster-wise PC…
We consider a clustering problem where we observe feature vectors $X_i \in R^p$, $i = 1, 2, \ldots, n$, from $K$ possible classes. The class labels are unknown and the main interest is to estimate them. We are primarily interested in the modern regime of $p \gg n$, where classical clustering methods face challenges. We propose Influential Features PCA (IF-PCA) as a new clustering procedure. In IF-PCA, we select a small fraction of features with the largest Kolmogorov-Smirnov (KS) scores, where the threshold is chosen by adapting the recent notion of Higher Criticism, obtain the first $(K-1)$ l…
Following widely used in visual recognition concept of relative attributes, the article establishes definition of the relative PCA attributes for a class of objects defined by vectors of their parameters. A new rating model (RELARM) is built using relative PCA attribute ranking functions for rating object description and k-means clustering algorithm. Rating assignment of each rating object to a rating category is derived as a result of cluster centers projection on the specially selected rating vector. Empirical study has shown a high level of approximation to the existing S & P, Moody's and F…
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…
Principal Component Analysis (PCA) is a powerful tool in statistics and machine learning. While existing study of PCA focuses on the recovery of principal components and their associated eigenvalues, there are few precise characterizations of individual principal component scores that yield low-dimensional embedding of samples. That hinders the analysis of various spectral methods. In this paper, we first develop an $\ell_p$ perturbation theory for a hollowed version of PCA in Hilbert spaces which provably improves upon the vanilla PCA in the presence of heteroscedastic noises. Through a novel…
GIPSA-lab（格勒诺布尔阿尔卑斯大学物理与信息科学研究所）；CNRS（法国国家科学研究中心）；Grenoble-INP（格勒诺布尔国立理工学院）；University Grenoble-Alps（格勒诺布尔阿尔卑斯大学）；CentraleSupélec（中央理工-高等电力学院）；University Paris Saclay（巴黎萨克雷大学）
The article introduces an elementary cost and storage reduction method for spectral clustering and principal component analysis. The method consists in randomly "puncturing" both the data matrix $X\in\mathbb{C}^{p\times n}$ (or $\mathbb{R}^{p\times n}$) and its corresponding kernel (Gram) matrix $K$ through Bernoulli masks: $S\in\{0,1\}^{p\times n}$ for $X$ and $B\in\{0,1\}^{n\times n}$ for $K$. The resulting "two-way punctured" kernel is thus given by $K=\frac{1}{p}[(X \odot S)^{\sf H} (X \odot S)] \odot B$. We demonstrate that, for $X$ composed of independent columns drawn from a Gaussian mi…
North Carolina State University（北卡罗来纳州立大学）；Washington University（华盛顿大学）；College of Charleston（查尔斯顿学院）；Bard College（巴德学院）
We explore the geometrical interpretation of the PCA based clustering algorithm Principal Direction Divisive Partitioning (PDDP). We give several examples where this algorithm breaks down, and suggest a new method, gap partitioning, which takes into account natural gaps in the data between clusters. Geometric features of the PCA space are derived and illustrated and experimental results are given which show our method is comparable on the datasets used in the original paper on PDDP.
Even with the rise in popularity of over-parameterized models, simple dimensionality reduction and clustering methods, such as PCA and k-means, are still routinely used in an amazing variety of settings. A primary reason is the combination of simplicity, interpretability and computational efficiency. The focus of this article is on improving upon PCA and k-means, by allowing non-linear relations in the data and more flexible cluster shapes, without sacrificing the key advantages. The key contribution is a new framework for Principal Elliptical Analysis (PEA), defining a simple and computationa…
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…
Count data is becoming more and more ubiquitous in a wide range of applications, with datasets growing both in size and in dimension. In this context, an increasing amount of work is dedicated to the construction of statistical models directly accounting for the discrete nature of the data. Moreover, it has been shown that integrating dimension reduction to clustering can drastically improve performance and stability. In this paper, we rely on the mixture of multinomial PCA, a mixture model for the clustering of count data, also known as the probabilistic clustering-projection model in the lit…
In this paper, we consider clustering based on principal component analysis (PCA) for high-dimension, low-sample-size (HDLSS) data. We give theoretical reasons why PCA is effective for clustering HDLSS data. First, we derive a geometric representation of HDLSS data taken from a two-class mixture model. With the help of the geometric representation, we give geometric consistency properties of sample principal component scores in the HDLSS context. We develop ideas of the geometric representation and geometric consistency properties to multiclass mixture models. We show that PCA can classify HDL…
We study the problem of detecting a structured, low-rank signal matrix corrupted with additive Gaussian noise. This includes clustering in a Gaussian mixture model, sparse PCA, and submatrix localization. Each of these problems is conjectured to exhibit a sharp information-theoretic threshold, below which the signal is too weak for any algorithm to detect. We derive upper and lower bounds on these thresholds by applying the first and second moment methods to the likelihood ratio between these "planted models" and null models where the signal matrix is zero. Our bounds differ by at most a facto…
There are several cutting edge applications needing PCA methods for data on tori and we propose a novel torus-PCA method with important properties that can be generally applied. There are two existing general methods: tangent space PCA and geodesic PCA. However, unlike tangent space PCA, our torus-PCA honors the cyclic topology of the data space whereas, unlike geodesic PCA, our torus-PCA produces a variety of non-winding, non-dense descriptors. This is achieved by deforming tori into spheres and then using a variant of the recently developed principle nested spheres analysis. This PCA analysi…
A large number of algorithms in machine learning, from principal component analysis (PCA), and its non-linear (kernel) extensions, to more recent spectral embedding and support estimation methods, rely on estimating a linear subspace from samples. In this paper we introduce a general formulation of this problem and derive novel learning error estimates. Our results rely on natural assumptions on the spectral properties of the covariance operator associated to the data distribu- tion, and hold for a wide class of metrics between subspaces. As special cases, we discuss sharp error estimates for …
Data integration is the problem of combining multiple data groups (studies, cohorts) and/or multiple data views (variables, features). This task is becoming increasingly important in many disciplines due to the prevalence of large and heterogeneous data sets. Data integration commonly aims to identify structure that is consistent across multiple cohorts and feature sets. While such joint analyses can boost information from single data sets, it is also possible that a globally restrictive integration of heterogeneous data may obscure signal of interest. Here, we therefore propose a data adaptiv…
Many modern datasets can be represented as graphs and hence spectral decompositions such as graph principal component analysis (PCA) can be useful. Distinct from previous graph decomposition approaches based on subspace projection of a single topological feature, e.g., the Fiedler vector of centered graph adjacency matrix (graph Laplacian), we propose spectral decomposition approaches to graph PCA and graph dictionary learning that integrate multiple features, including graph walk statistics, centrality measures and graph distances to reference nodes. In this paper we propose a new PCA method …
Department of Statistics and Data Science, Southern University of Science and Technology（统计与数据科学系，南方科技大学）；Data Science, Southern University of Science（数据科学，南方科技大学）；School of Data Science, The Chinese University of Hong Kong, Shenzhen, China（数据科学学院，香港中文大学（深圳））
The idea of Innovation Search, which was initially proposed for data clustering, was recently used for outlier detection. In the application of Innovation Search for outlier detection, the directions of innovation were utilized to measure the innovation of the data points. We study the Innovation Values computed by the Innovation Search algorithm under a quadratic cost function and it is proved that Innovation Values with the new cost function are equivalent to Leverage Scores. This interesting connection is utilized to establish several theoretical guarantees for a Leverage Score based robust…
Hong Kong University of Science and Technology（香港科技大学）；Zhejiang University（浙江大学）
The real-time crash likelihood prediction has been an important research topic. Various classifiers, such as support vector machine (SVM) and tree-based boosting algorithms, have been proposed in traffic safety studies. However, few research focuses on the missing data imputation in real-time crash likelihood prediction, although missing values are commonly observed due to breakdown of sensors or external interference. Besides, classifying imbalanced data is also a difficult problem in real-time crash likelihood prediction, since it is hard to distinguish crash-prone cases from non-crash cases…
Locally Linear Embedding (LLE) is a nonlinear spectral dimensionality reduction and manifold learning method. It has two main steps which are linear reconstruction and linear embedding of points in the input space and embedding space, respectively. In this work, we look at the linear reconstruction step from a stochastic perspective where it is assumed that every data point is conditioned on its linear reconstruction weights as latent factors. The stochastic linear reconstruction of LLE is solved using expectation maximization. We show that there is a theoretical connection between three funda…
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…
We consider the problem of learning a mixture of Random Utility Models (RUMs). Despite the success of RUMs in various domains and the versatility of mixture RUMs to capture the heterogeneity in preferences, there has been only limited progress in learning a mixture of RUMs from partial data such as pairwise comparisons. In contrast, there have been significant advances in terms of learning a single component RUM using pairwise comparisons. In this paper, we aim to bridge this gap between mixture learning and single component learning of RUM by developing a `reduction' procedure. We propose to …
In this note we consider PCA for Gaussian observations $X_1,\dots, X_n$ with covariance $Σ=\sum_i λ_i P_i$ in the 'effective rank' setting with model complexity governed by $\mathbf{r}(Σ):=\text{tr}(Σ)/\| Σ\|$. We prove a Berry-Essen type bound for a Wald Statistic of the spectral projector $\hat P_r$. This can be used to construct non-asymptotic confidence ellipsoids and tests for spectral projectors $P_r$. Using higher order pertubation theory we are able to show that our Theorem remains valid even when $\mathbf{r}(Σ) \gg \sqrt{n}$.
This work studies low-rank approximation of a positive semidefinite matrix from partial entries via nonconvex optimization. We characterized how well local-minimum based low-rank factorization approximates a fixed positive semidefinite matrix without any assumptions on the rank-matching, the condition number or eigenspace incoherence parameter. Furthermore, under certain assumptions on rank-matching and well-boundedness of condition numbers and eigenspace incoherence parameters, a corollary of our main theorem improves the state-of-the-art sampling rate results for nonconvex matrix completion …
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…
In this paper, we study the spectrum and the eigenvectors of radial kernels for mixtures of distributions in $\mathbb{R}^n$. Our approach focuses on high dimensions and relies solely on the concentration properties of the components in the mixture. We give several results describing of the structure of kernel matrices for a sample drawn from such a mixture. Based on these results, we analyze the ability of kernel PCA to cluster high dimensional mixtures. In particular, we exhibit a specific kernel leading to a simple spectral algorithm for clustering mixtures with possibly common means but dif…
We present here an original application of the non-negative matrix factorization (NMF) method, for the case of extra-financial data. These data are subject to high correlations between co-variables, as well as between observations. NMF provides a much more relevant clustering of co-variables and observations than a simple principal component analysis (PCA). In addition, we show that an initial data separation step before applying NMF further improves the quality of the clustering.
Mixtures of probabilistic principal component analysis (MPPCA) is a well-known mixture model extension of principal component analysis (PCA). Similar to PCA, MPPCA assumes the data samples in each mixture contain homoscedastic noise. However, datasets with heterogeneous noise across samples are becoming increasingly common, as larger datasets are generated by collecting samples from several sources with varying noise profiles. The performance of MPPCA is suboptimal for data with heteroscedastic noise across samples. This paper proposes a heteroscedastic mixtures of probabilistic PCA technique …
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 …
Principal components analysis (PCA) is a well-known technique for approximating a tabular data set by a low rank matrix. Here, we extend the idea of PCA to handle arbitrary data sets consisting of numerical, Boolean, categorical, ordinal, and other data types. This framework encompasses many well known techniques in data analysis, such as nonnegative matrix factorization, matrix completion, sparse and robust PCA, $k$-means, $k$-SVD, and maximum margin matrix factorization. The method handles heterogeneous data sets, and leads to coherent schemes for compressing, denoising, and imputing missing…
Principal components analysis (PCA) is a widely used dimension reduction technique with an extensive range of applications. In this paper, an online distributed algorithm is proposed for recovering the principal eigenspaces. We further establish its rate of convergence and show how it relates to the number of nodes employed in the distributed computation, the effective rank of the data matrix under consideration, and the gap in the spectrum of the underlying population covariance matrix. The proposed algorithm is illustrated on low-rank approximation and $\boldsymbol{k}$-means clustering tasks…
Department of Electrical and Computer Engineering, University of Minnesota – Twin Cities（明尼苏达大学双城分校电气与计算机工程系）
Localizing targets of interest in a given hyperspectral (HS) image has applications ranging from remote sensing to surveillance. This task of target detection leverages the fact that each material/object possesses its own characteristic spectral response, depending upon its composition. As $\textit{signatures}$ of different materials are often correlated, matched filtering based approaches may not be appropriate in this case. In this work, we present a technique to localize targets of interest based on their spectral signatures. We also present the corresponding recovery guarantees, leveraging…
University of Minnesota（明尼苏达大学）；Princeton University（普林斯顿大学）
We consider the task of localizing targets of interest in a hyperspectral (HS) image based on their spectral signature(s), by posing the problem as two distinct convex demixing task(s). With applications ranging from remote sensing to surveillance, this task of target detection leverages the fact that each material/object possesses its own characteristic spectral response, depending upon its composition. However, since $\textit{signatures}$ of different materials are often correlated, matched filtering-based approaches may not be apply here. To this end, we model a HS image as a superposition …
Faculty of Automatic Control and Computers, University Politehnica Bucharest（布加勒斯特理工大学自动控制与计算机学院）；LCSL, Universitá di Genova（热那亚大学LCSL）；Massachusetts Institute of Technology（麻省理工学院）；Istituto Italiano di Tecnologia（意大利技术研究院）
We study the problem of approximating orthogonal matrices so that their application is numerically fast and yet accurate. We find an approximation by solving an optimization problem over a set of structured matrices, that we call extended orthogonal Givens transformations, including Givens rotations as a special case. We propose an efficient greedy algorithm to solve such a problem and show that it strikes a balance between approximation accuracy and speed of computation. The approach is relevant to spectral methods and we illustrate its application to PCA.
Though there is a growing body of literature on fairness for supervised learning, the problem of incorporating fairness into unsupervised learning has been less well-studied. This paper studies fairness in the context of principal component analysis (PCA). We first present a definition of fairness for dimensionality reduction, and our definition can be interpreted as saying that a reduction is fair if information about a protected class (e.g., race or gender) cannot be inferred from the dimensionality-reduced data points. Next, we develop convex optimization formulations that can improve the f…
Molecular structures of RNA molecules reconstructed from X-ray crystallography frequently contain errors. Motivated by this problem we examine clustering on a torus since RNA shapes can be described by dihedral angles. A previously developed clustering method for torus data involves two tuning parameters and we assess clustering results for different parameter values in relation to the problem of so-called RNA clashes. This clustering problem is part of the dynamically evolving field of statistics on manifolds. Statistical problems on the torus highlight general challenges for statistics on ma…
With the ongoing COVID-19 pandemic, understanding the characteristics of the virus has become an important and challenging task in the scientific community. While tests do exist for COVID-19, the goal of our research is to explore other methods of identifying infected individuals. Our group applied unsupervised clustering techniques to explore a dataset of lungscans of COVID-19 infected, Viral Pneumonia infected, and healthy individuals. This is an important area to explore as COVID-19 is a novel disease that is currently being studied in detail. Our methodology explores the potential that uns…
This paper studies the related problems of prediction, covariance estimation, and principal component analysis for the spiked covariance model with heteroscedastic noise. We consider an estimator of the principal components based on whitening the noise, and we derive optimal singular value and eigenvalue shrinkers for use with these estimated principal components. Underlying these methods are new asymptotic results for the high-dimensional spiked model with heteroscedastic noise, and consistent estimators for the relevant population parameters. We extend previous analysis on out-of-sample pred…
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…
We would like to congratulate Lee, Nadler and Wasserman on their contribution to clustering and data reduction methods for high $p$ and low $n$ situations. A composite of clustering and traditional principal components analysis, treelets is an innovative method for multi-resolution analysis of unordered data. It is an improvement over traditional PCA and an important contribution to clustering methodology. Their paper [arXiv:0707.0481] presents theory and supporting applications addressing the two main goals of the treelet method: (1) Uncover the underlying structure of the data and (2) Data r…
Mapping human genetic variation is fundamentally interesting in fields such as anthropology and forensic inference. At the same time patterns of genetic diversity confound efforts to determine the genetic basis of complex disease. Due to technological advances it is now possible to measure hundreds of thousands of genetic variants per individual across the genome. Principal component analysis (PCA) is routinely used to summarize the genetic similarity between subjects. The eigenvectors are interpreted as dimensions of ancestry. We build on this idea using a spectral graph approach. In the proc…
We analyse the reconstruction error of principal component analysis (PCA) and prove non-asymptotic upper bounds for the corresponding excess risk. These bounds unify and improve existing upper bounds from the literature. In particular, they give oracle inequalities under mild eigenvalue conditions. The bounds reveal that the excess risk differs significantly from usually considered subspace distances based on canonical angles. Our approach relies on the analysis of empirical spectral projectors combined with concentration inequalities for weighted empirical covariance operators and empirical e…
With the increasing popularity of calcium imaging data in neuroscience research, methods for analyzing calcium trace data are critical to address various questions. The observed calcium traces are either analyzed directly or deconvolved to spike trains to infer neuronal activities. When both approaches are applicable, it is unclear whether deconvolving calcium traces is a necessary step. In this article, we compare the performance of using calcium traces or their deconvolved spike trains for three common analyses: clustering, principal component analysis (PCA), and population decoding. Our sim…
