Principal Component Analysis
Distributed Principal Component Analysis with Limited Communication
We study efficient distributed algorithms for the fundamental problem of principal component analysis and leading eigenvector computation on the sphere, when the data are randomly distributed among a set of computational nodes. We propose a new quantized variant of Riemannian gradient descent to solve this problem, and prove that the algorithm converges with high probability under a set of necessary spherical-convexity properties. We give bounds on the number of bits transmitted by the algorithm under common initialization schemes, and investigate the dependency on the problem dimension in each case.
An Approach to Variable Clustering: K-means in Transposed Data and its Relationship with Principal Component Analysis
Saquicela, Victor, Palacio-Baus, Kenneth, Chifla, Mario
Abstract--Principal Component Analysis (PCA) and K-means constitute fundamental techniques in multivariate analysis. Although they are frequently applied independently or sequentially to cluster observations, the relationship between them, especially when K-means is used to cluster variables rather than observations, has been scarcely explored. This study seeks to address this gap by proposing an innovative method that analyzes the relationship between clusters of variables obtained by applying K-means on transposed data and the principal components of PCA. Our approach involves applying PCA to the original data and K-means to the transposed data set, where the original variables are converted into observations. The contribution of each variable cluster to each principal component is then quantified using measures based on variable loadings. This process provides a tool to explore and understand the clustering of variables and how such clusters contribute to the principal dimensions of variation identified by PCA. We analyze multiple data sets with varying variability structures (USArrests, Iris, Decathlon2) to show that the correspondence between clusters of variables and principal components depends on the data's inherent structure.
Correlated-PCA: Principal Components' Analysis when Data and Noise are Correlated
Given a matrix of observed data, Principal Components Analysis (PCA) computes a small number of orthogonal directions that contain most of its variability. Provably accurate solutions for PCA have been in use for a long time. However, to the best of our knowledge, all existing theoretical guarantees for it assume that the data and the corrupting noise are mutually independent, or at least uncorrelated. This is valid in practice often, but not always. In this paper, we study the PCA problem in the setting where the data and noise can be correlated. Such noise is often also referred to as ``data-dependent noise. We obtain a correctness result for the standard eigenvalue decomposition (EVD) based solution to PCA under simple assumptions on the data-noise correlation. We also develop and analyze a generalization of EVD, cluster-EVD, that improves upon EVD in certain regimes.
SO(3)-invariant PCA with application to molecular data
Fraiman, Michael, Hoyos, Paulina, Bendory, Tamir, Kileel, Joe, Mickelin, Oscar, Sharon, Nir, Singer, Amit
ABSTRACT Principal component analysis (PCA) is a fundamental technique for dimensionality reduction and denoising; however, its application to three-dimensional data with arbitrary orientations--common in structural biology--presents significant challenges. A naive approach requires augmenting the dataset with many rotated copies of each sample, incurring prohibitive computational costs. In this paper, we extend PCA to 3D volumetric datasets with unknown orientations by developing an efficient and principled framework for SO(3)-invariant PCA that implicitly accounts for all rotations without explicit data augmentation. By exploiting underlying algebraic structure, we demonstrate that the computation involves only the square root of the total number of covariance entries, resulting in a substantial reduction in complexity. Index T erms-- steerable PCA, group invariants, 3D volumes, cryo-EM, spherical Bessel, ball harmonics 1. INTRODUCTION Principal component analysis (PCA) is a fundamental technique in data science and statistics, especially when dealing with high-dimensional datasets.
Transformed $\ell_1$ Regularizations for Robust Principal Component Analysis: Toward a Fine-Grained Understanding
Zhao, Kun, Zhang, Haoke, Wang, Jiayi, Lou, Yifei
Robust Principal Component Analysis (RPCA) aims to recover a low-rank structure from noisy, partially observed data that is also corrupted by sparse, potentially large-magnitude outliers. Traditional RPCA models rely on convex relaxations, such as nuclear norm and $\ell_1$ norm, to approximate the rank of a matrix and the $\ell_0$ functional (the number of non-zero elements) of another. In this work, we advocate a nonconvex regularization method, referred to as transformed $\ell_1$ (TL1), to improve both approximations. The rationale is that by varying the internal parameter of TL1, its behavior asymptotically approaches either $\ell_0$ or $\ell_1$. Since the rank is equal to the number of non-zero singular values and the nuclear norm is defined as their sum, applying TL1 to the singular values can approximate either the rank or the nuclear norm, depending on its internal parameter. We conduct a fine-grained theoretical analysis of statistical convergence rates, measured in the Frobenius norm, for both the low-rank and sparse components under general sampling schemes. These rates are comparable to those of the classical RPCA model based on the nuclear norm and $\ell_1$ norm. Moreover, we establish constant-order upper bounds on the estimated rank of the low-rank component and the cardinality of the sparse component in the regime where TL1 behaves like $\ell_0$, assuming that the respective matrices are exactly low-rank and exactly sparse. Extensive numerical experiments on synthetic data and real-world applications demonstrate that the proposed approach achieves higher accuracy than the classic convex model, especially under non-uniform sampling schemes.
On the Sample Complexity of Subspace Learning
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 distribution, and hold for a wide class of metrics between subspaces. As special cases, we discuss sharp error estimates for the reconstruction properties of PCA and spectral support estimation. Key to our analysis is an operator theoretic approach that has broad applicability to spectral learning methods.