Motivated by the recently shown connection between self-attention and (kernel) principal component analysis (PCA), we revisit the fundamentals of PCA. Using the difference-of-convex (DC) framework, we present several novel formulations and provide new theoretical insights. In particular, we show the kernelizability and outof-sample applicability for a PCA-like family of problems. Moreover, we uncover that simultaneous iteration, which is connected to the classical QR algorithm, is an instance of the difference-of-convex algorithm (DCA), offering an optimization perspective on this longstanding method. Further, we describe new algorithms for PCA and empirically compare them with state-of-the-art methods. Lastly, we introduce a kernelizable dual formulation for a robust variant of PCA that minimizes the l1-deviation of the reconstruction errors.

We introduce a new family of algorithms for detecting and estimating a rank-one signal from a noisy observation under prior information about that signal's direction, focusing on examples where the signal is known to have entries biased to be positive. Given a matrix observation $\mathbf{Y}$, our algorithms construct a *nonlinear Laplacian*, another matrix of the form $\mathbf{Y} + \mathrm{diag}(\sigma(\mathbf{Y1}))$ for a nonlinear $\sigma: \mathbb{R} \to \mathbb{R}$, and examine the top eigenvalue and eigenvector of this matrix. When $\mathbf{Y}$ is the (suitably normalized) adjacency matrix of a graph, our approach gives a class of algorithms that search for unusually dense subgraphs by computing a spectrum of the graph deformed by the degree profile $\mathbf{Y1}$. We study the performance of such algorithms compared to direct spectral algorithms (the case $\sigma = 0$) on models of sparse principal component analysis with biased signals, including the Gaussian planted submatrix problem. For such models, we rigorously characterize the strength of rank-one signal, as a function of the nonlinearity $\sigma$, required for an outlier eigenvalue to appear in the spectrum of a nonlinear Laplacian matrix. While identifying the $\sigma$ that minimizes the required signal strength in closed form seems intractable, we explore three approaches to design $\sigma$ numerically: exhaustively searching over simple classes of $\sigma$, learning $\sigma$ from datasets of problem instances, and tuning $\sigma$ using black-box optimization of the critical signal strength. We find both theoretically and empirically that, if $\sigma$ is chosen appropriately, then nonlinear Laplacian spectral algorithms substantially outperform direct spectral algorithms, while retaining the conceptual simplicity of spectral methods compared to broader classes of computations like approximate message passing or general first order methods.

Background on Principal Component Analysis Principal component analysis (PCA) is a method widely used by practitioners for learning features of high-dimensional data [15]. It is a dimension reduction technique that represents the data in lower dimensions, often with the aim of exploratory analysis or visualization. PCA can also be used as a data preprocessing step, for instance in regression analysis. While PCA is familiar and commonplace for understanding behavior in the data's'bulk', only recently have similar methods been proposed for understanding high-dimensional extremes. The aim of this chapter is to review and compare recent approaches for extremal PCA. 1

In many longitudinal studies, a large number of variables are measured repeatedly over time, with substantial missing data. Existing methods, such as probabilistic principal component analysis (PPCA), are ill-equipped to handle such incomplete, high-dimensional longitudinal data, as they fail to account for the nested sources of variation and temporal dependency inherent in repeated measures. We introduce hierarchical probabilistic principal component analysis (HPPCA), a two-level probabilistic factor model that explicitly separates between-subject variance from time-varying within-subject dynamics. The within-subject latent factors are modeled by a Gaussian process. We develop an EM algorithm to handle missing data and flexible covariance kernels, accelerated by computationally efficient initializers. Simulation studies demonstrated that HPPCA robustly recovers model parameters subspaces and substantially outperforms both standard PPCA and multivariate functional PCA in imputation accuracy, even under heavy missingness and model misspecification. An application to the long COVID symptoms in the Researching COVID to Enhance Recovery adult cohort revealed that HPPCA effectively captured the data's hierarchical structure and its learned features significantly improved the prediction of clinical outcomes and the recovery of masked clinical records compared to exisiting methods.

A.1 Does our neural regression method work? To ensure our neural regression method works, we verify its efficacy on a known benchmark: the activity of 256 cells in the V4 and IT regions of two Rhesus macaque monkeys, a core component of BrainScore [4]. BrainScore's in-house method involves a combination of principal components analysis (for dimensionality reduction) and k-fold cross-validated partial least squares regression (for the linear mapping of model to brain activity). Here, we exchange principal components analysis for sparse random projection and partial least squares regression for ridge regression with generalized cross-validation. We compute the scores for each benchmark in the same fashion as BrainScore: as the Pearson correlation coefficient between the actual and predicted (cross-validated) activity of the biological neurons in the V4 and IT samples.

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.

Neural Information Processing Systems http://nips.cc/

We introduce Metric-Aware Principal Component Analysis (MAPCA), a unified framework for scale-invariant representation learning based on the generalised eigenproblem max Tr(W^T Sigma W) subject to W^T M W = I, where M is a symmetric positive definite metric matrix. The choice of M determines the representation geometry. The canonical beta-family M(beta) = Sigma^beta, beta in [0,1], provides continuous spectral bias control between standard PCA (beta=0) and output whitening (beta=1), with condition number kappa(beta) = (lambda_1/lambda_p)^(1-beta) decreasing monotonically to isotropy. The diagonal metric M = D = diag(Sigma) recovers Invariant PCA (IPCA), a method rooted in Frisch (1928) diagonal regression, as a distinct member of the broader framework. We prove that scale invariance holds if and only if the metric transforms as M_tilde = CMC under rescaling C, a condition satisfied exactly by IPCA but not by the general beta-family at intermediate values. Beyond its classical interpretation, MAPCA provides a geometric language that unifies several self-supervised learning objectives. Barlow Twins and ZCA whitening correspond to beta=1 (output whitening); VICReg's variance term corresponds to the diagonal metric. A key finding is that W-MSE, despite being described as a whitening-based method, corresponds to M = Sigma^{-1} (beta = -1), outside the spectral compression range entirely and in the opposite spectral direction to Barlow Twins. This distinction between input and output whitening is invisible at the level of loss functions and becomes precise only within the MAPCA framework.