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Molecular dynamics simulations produce huge datasets of temporal sequences of molecules. It is of interest to summarize the shape evolution of the molecules in a succinct, low-dimensional representation. However, Euclidean techniques such…

Methodology · Statistics 2019-03-25 Ian L. Dryden , Kwang-Rae Kim , Charles A. Laughton , Huiling Le

While the existence of low-dimensional embedding manifolds has been shown in patterns of collective motion, the current battery of nonlinear dimensionality reduction methods are not amenable to the analysis of such manifolds. This is mainly…

Numerical Analysis · Mathematics 2017-07-21 Kelum Gajamannage , Sachit Butail , Maurizio Porfiri , Erik M. Bollt

Compositional data, also referred to as simplicial data, naturally arise in many scientific domains such as geochemistry, microbiology, and economics. In such domains, obtaining sensible lower-dimensional representations and modes of…

In many applications, the data lie on a type of cone, where there is a distinction between an overall scale variable and the remaining scale-free structure. For example, the joint size and shape of objects are points on a cone, where size…

Methodology · Statistics 2026-04-23 Yanyan Zhan , Ian L. Dryden , Yuexuan Wu

The method of Principal Nested Spheres (PNS) is a non-linear dimension reduction technique for spherical data. The method is a backwards fitting procedure, starting with fitting a high-dimensional sphere and then successively reducing…

Methodology · Statistics 2025-11-12 Mymuna Monem , Ian L. Dryden , Florence George

The problem of decomposing non-manifold object has already been studied in solid modeling. However, the few proposed solutions are limited to the problem of decomposing solids described through their boundaries. In this thesis we study the…

Graphics · Computer Science 2019-04-03 Franco Morando

We propose a novel method of finding principal components in multivariate data sets that lie on an embedded nonlinear Riemannian manifold within a higher-dimensional space. Our aim is to extend the geometric interpretation of PCA, while…

Methodology · Statistics 2024-06-05 Zhigang Yao , Benjamin Eltzner , Tung Pham

One develops a fast computational methodology for principal component analysis on manifolds. Instead of estimating intrinsic principal components on an object space with a Riemannian structure, one embeds the object space in a numerical…

Methodology · Statistics 2024-10-04 Ka Chun Wong , Vic Patrangenaru , Robert L. Paige , Mihaela Pricop Jeckstadt

This paper presents a novel non-linear model reduction method: Probabilistic Manifold Decomposition (PMD), which provides a powerful framework for constructing non-intrusive reduced-order models (ROMs) by embedding a high-dimensional system…

Numerical Analysis · Mathematics 2026-01-09 Jiaming Guo , Dunhui Xiao

In scientific applications, multivariate observations often come in tandem with temporal or spatial covariates, with which the underlying signals vary smoothly. The standard approaches such as principal component analysis and factor…

Statistics Theory · Mathematics 2019-10-15 Mark Koudstaal , Dengdeng Yu , Dehan Kong , Fang Yao

Nonlinear manifold learning from unorganized data points is a very challenging unsupervised learning and data visualization problem with a great variety of applications. In this paper we present a new algorithm for manifold learning and…

Machine Learning · Computer Science 2016-08-31 Zhenyue Zhang , Hongyuan Zha

Nonlinear dimensionality reduction methods provide a valuable means to visualize and interpret high-dimensional data. However, many popular methods can fail dramatically, even on simple two-dimensional manifolds, due to problems such as…

Machine Learning · Statistics 2020-07-08 Daniel Ting , Michael I. Jordan

Dimension reduction for high-dimensional compositional data plays an important role in many fields, where the principal component analysis of the basis covariance matrix is of scientific interest. In practice, however, the basis variables…

Methodology · Statistics 2021-09-13 Jingru Zhang , Wei Lin

Supervised manifold learning methods learn data representations by preserving the geometric structure of data while enhancing the separation between data samples from different classes. In this work, we propose a theoretical study of…

Machine Learning · Computer Science 2018-01-08 Elif Vural , Christine Guillemot

Methodologies for multidimensionality reduction aim at discovering low-dimensional manifolds where data ranges. Principal Component Analysis (PCA) is very effective if data have linear structure. But fails in identifying a possible…

Numerical Analysis · Mathematics 2021-01-14 Alberto García-González , Antonio Huerta , Sergio Zlotnik , Pedro Díez

Data are not only ubiquitous in society, but are increasingly complex both in size and dimensionality. Dimension reduction offers researchers and scholars the ability to make such complex, high dimensional data spaces simpler and more…

Machine Learning · Computer Science 2021-03-15 Philip D. Waggoner

Motivated by the analysis of high-dimensional neuroimaging signals located over the cortical surface, we introduce a novel Principal Component Analysis technique that can handle functional data located over a two-dimensional manifold. For…

Applications · Statistics 2019-08-02 Eardi Lila , John A. D. Aston , Laura M. Sangalli

We study non-linear data-dimension reduction. We are motivated by the classical linear framework of Principal Component Analysis. In nonlinear case, we introduce instead a new kernel-Principal Component Analysis, manifold and feature space…

Functional Analysis · Mathematics 2022-09-09 Palle E. T. Jorgensen , Sooran Kang , Myung-Sin Song , Feng Tian

This paper extends robust principal component analysis (RPCA) to nonlinear manifolds. Suppose that the observed data matrix is the sum of a sparse component and a component drawn from some low dimensional manifold. Is it possible to…

Machine Learning · Computer Science 2019-11-12 He Lyu , Ningyu Sha , Shuyang Qin , Ming Yan , Yuying Xie , Rongrong Wang

Probabilistic Manifold Decomposition (PMD)\cite{doi:10.1137/25M1738863}, developed in our earlier work, provides a nonlinear model reduction by embedding high-dimensional dynamics onto low-dimensional probabilistic manifolds. The PMD has…

Numerical Analysis · Mathematics 2026-01-13 Jiaming Guo , Dunhui Xiao
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