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Principal component analysis (PCA) represents a standard approach to identify collective variables $\{x_i\}\!=\!\boldsymbol{x}$, which can be used to construct the free energy landscape $\Delta G(\boldsymbol{x})$ of a molecular system.…

生物大分子 · 定量生物学 2019-05-30 Matthias Post , Steffen Wolf , Gerhard Stock

Principal Component Analysis (PCA) is the most widely used tool for linear dimensionality reduction and clustering. Still it is highly sensitive to outliers and does not scale well with respect to the number of data samples. Robust PCA…

计算机视觉与模式识别 · 计算机科学 2015-04-24 Nauman Shahid , Vassilis Kalofolias , Xavier Bresson , Michael Bronstein , Pierre Vandergheynst

Principal Component Analysis (PCA) is a popular tool for dimensionality reduction and feature extraction in data analysis. There is a probabilistic version of PCA, known as Probabilistic PCA (PPCA). However, standard PCA and PPCA are not…

机器学习 · 计算机科学 2019-04-16 Bowen Zhao , Xi Xiao , Wanpeng Zhang , Bin Zhang , Shutao Xia

The optimal transport barycenter (a.k.a. Wasserstein barycenter) is a fundamental notion of averaging that extends from the Euclidean space to the Wasserstein space of probability distributions. Computation of the unregularized barycenter…

机器学习 · 统计学 2025-05-27 Kaheon Kim , Rentian Yao , Changbo Zhu , Xiaohui Chen

Principal component analysis (PCA) is a fundamental tool in multivariate statistics, yet its sensitivity to outliers and limitations in distributed environments restrict its effectiveness in modern large-scale applications. To address these…

统计方法学 · 统计学 2025-10-16 Hung Hung , Zhi-Yu Jou , Su-Yun Huang , Shinto Eguchi

Principal component analysis is performed on Birkeland or field-aligned current (FAC) measurements from the Active Magnetosphere and Planetary Electrodynamics Response Experiment. Principal component analysis (PCA) identifies the patterns…

空间物理 · 物理学 2016-06-06 S. E. Milan , J. A. Carter , H. Korth , B. J. Anderson

In this work, we develop a novel principal component analysis (PCA) for semimartingales by introducing a suitable spectral analysis for the quadratic variation operator. Motivated by high-dimensional complex systems typically found in…

统计理论 · 数学 2016-03-10 Alberto Ohashi , Alexandre B Simas

The CP decomposition for high dimensional non-orthogonal spiked tensors is an important problem with broad applications across many disciplines. However, previous works with theoretical guarantee typically assume restrictive incoherence…

机器学习 · 统计学 2022-09-20 Yuefeng Han , Cun-Hui Zhang

Principal Component Analysis (PCA) is a highly useful topic within an introductory Linear Algebra course, especially since it can be used to incorporate a number of applied projects. This method represents an essential application and…

历史与综述 · 数学 2016-04-19 Stephen Pankavich , Rebecca Swanson

Principal component analysis (PCA) is a powerful standard tool for reducing the dimensionality of data. Unfortunately, it is sensitive to outliers so that various robust PCA variants were proposed in the literature. This paper addresses the…

数值分析 · 数学 2019-02-13 Sebastian Neumayer , Max Nimmer , Simon Setzer , Gabriele Steidl

This study presents a scalable data-driven algorithm designed to efficiently address the challenging problem of reachability analysis. Analysis of cyber-physical systems (CPS) relies typically on parametric physical models of dynamical…

机器人学 · 计算机科学 2025-05-22 Navid Hashemi , Lars Lindemann , Jyotirmoy Deshmukh

It is shown that Principal Component Analysis (PCA) applied to event-by-event single-particle distributions in A-A collisions allows establishing the most optimal basis for anisotropic flow studies from data itself, in contrast to manual…

核理论 · 物理学 2020-12-01 Igor Altsybeev

Wasserstein barycenters correspond to optimal solutions of transportation problems for several marginals, and as such have a wide range of applications ranging from economics to statistics and computer science. When the marginal probability…

最优化与控制 · 数学 2015-08-11 Ethan Anderes , Steffen Borgwardt , Jacob Miller

Conventional principal component analysis (PCA) finds a principal vector that maximizes the sum of second powers of principal components. We consider a generalized PCA that aims at maximizing the sum of an arbitrary convex function of…

机器学习 · 计算机科学 2019-11-19 Samuele Battaglino , Erdem Koyuncu

Wasserstein barycenters provide a geometric notion of the weighted average of probability measures based on optimal transport. In this paper, we present a scalable algorithm to compute Wasserstein-2 barycenters given sample access to the…

机器学习 · 计算机科学 2022-01-02 Alexander Korotin , Lingxiao Li , Justin Solomon , Evgeny Burnaev

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…

统计理论 · 数学 2017-10-25 Xiongtao Dai , Hans-Georg Müller

Sparse versions of principal component analysis (PCA) have imposed themselves as simple, yet powerful ways of selecting relevant features of high-dimensional data in an unsupervised manner. However, when several sparse principal components…

机器学习 · 统计学 2019-05-22 Charles Bouveyron , Pierre Latouche , Pierre-Alexandre Mattei

Principal component analysis (PCA) has achieved great success in unsupervised learning by identifying covariance correlations among features. If the data collection fails to capture the covariance information, PCA will not be able to…

计算物理 · 物理学 2021-08-24 Ziming Liu , Sitian Qian , Yixuan Wang , Yuxuan Yan , Tianyi Yang

This paper investigates the generalization of Principal Component Analysis (PCA) to Riemannian manifolds. We first propose a new and general type of family of subspaces in manifolds that we call barycentric subspaces. They are implicitly…

统计理论 · 数学 2017-10-05 Xavier Pennec

We introduce Principal Component Analysis guided Quantile Sampling (PCA QS), a novel sampling framework designed to preserve both the statistical and geometric structure of large scale datasets. Unlike conventional PCA, which reduces…

统计方法学 · 统计学 2026-01-13 Foo Hui-Mean , Yuan-chin Ivan Chang