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Machine learning (ML) has seen promising developments in materials science, yet its efficacy largely depends on detailed crystal structural data, which are often complex and hard to obtain, limiting their applicability in real-world…

Materials Science · Physics 2024-12-10 Namkyeong Lee , Heewoong Noh , Gyoung S. Na , Jimeng Sun , Tianfan Fu , Marinka Zitnik , Chanyoung Park

We introduce an extension to local principal component analysis for learning symmetric manifolds. In particular, we use a spectral method to approximate the Lie algebra corresponding to the symmetry group of the underlying manifold. We…

Machine Learning · Computer Science 2020-09-15 Jameson Cahill , Dustin G. Mixon , Hans Parshall

Principal Component Analysis (PCA)-based techniques can separate data into different uncorrelated components and facilitate the statistical analysis as a pre-processing step. Independent Component Analysis (ICA) can separate statistically…

Instrumentation and Methods for Astrophysics · Physics 2023-01-03 Güray Hatipoğlu

We use Principal Component Analysis (PCA) to study the gas dynamics in numerical simulations of typical MCs. Our simulations account for the non-isothermal nature of the gas and include a simplified treatment of the time-dependent gas…

Solar and Stellar Astrophysics · Physics 2015-06-18 Erik Bertram , Rahul Shetty , Simon C. O. Glover , Ralf S. Klessen , Julia Roman-Duval , Christoph Federrath

We present a new technique called contrastive principal component analysis (cPCA) that is designed to discover low-dimensional structure that is unique to a dataset, or enriched in one dataset relative to other data. The technique is a…

Machine Learning · Statistics 2017-11-23 Abubakar Abid , Martin J. Zhang , Vivek K. Bagaria , James Zou

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…

Signal Processing · Electrical Eng. & Systems 2025-10-22 Michael Fraiman , Paulina Hoyos , Tamir Bendory , Joe Kileel , Oscar Mickelin , Nir Sharon , Amit Singer

Principal component analysis (PCA) is a popular dimension reduction technique often used to visualize high-dimensional data structures. In genomics, this can involve millions of variables, but only tens to hundreds of observations.…

Statistics Theory · Mathematics 2020-06-11 Kristoffer Hellton , Magne Thoresen

Monitoring multichannel profiles has important applications in manufacturing systems improvement, but it is non-trivial to develop efficient statistical methods due to two main challenges. First, profiles are high-dimensional functional…

Applications · Statistics 2016-03-18 Yuan Wang , Kamran Paynabar , Yajun Mei

In this paper, we implement Principal Component Analysis (PCA) to study the single particle distributions generated from thousands of {\tt VISH2+1} hydrodynamic simulations with an aim to explore if a machine could directly discover flow…

Nuclear Theory · Physics 2020-01-08 Ziming Liu , Wenbin Zhao , Huichao Song

For multimode processes, one generally establishes local monitoring models corresponding to local modes. However, the significant features of previous modes may be catastrophically forgotten when a monitoring model for the current mode is…

Machine Learning · Statistics 2021-05-31 Jingxin Zhang , Donghua Zhou , Maoyin Chen

We study the distributed computing setting in which there are multiple servers, each holding a set of points, who wish to compute functions on the union of their point sets. A key task in this setting is Principal Component Analysis (PCA),…

Machine Learning · Computer Science 2014-12-24 Maria-Florina Balcan , Vandana Kanchanapally , Yingyu Liang , David Woodruff

Dimensionality reduction is a crucial step for pattern recognition and data mining tasks to overcome the curse of dimensionality. Principal component analysis (PCA) is a traditional technique for unsupervised dimensionality reduction, which…

Machine Learning · Computer Science 2017-05-04 Zan Gao , Guotai Zhang , Feiping Nie , Hua Zhang

Principal component analysis (PCA) is not only a fundamental dimension reduction method, but is also a widely used network anomaly detection technique. Traditionally, PCA is performed in a centralized manner, which has poor scalability for…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-12-22 Ni An , Steven Weber

Despite the advances of deep learning in specific tasks using images, the principled assessment of image fidelity and similarity is still a critical ability to develop. As it has been shown that Mean Squared Error (MSE) is insufficient for…

Image and Video Processing · Electrical Eng. & Systems 2019-08-27 Benyamin Ghojogh , Fakhri Karray , Mark Crowley

Correspondence analysis (CA) is a multivariate statistical tool used to visualize and interpret data dependencies by finding maximally correlated embeddings of pairs of random variables. CA has found applications in fields ranging from…

Machine Learning · Computer Science 2020-07-01 Hsiang Hsu , Salman Salamatian , Flavio P. Calmon

Principal Component Analysis (PCA) is one of the most used tools for extracting low-dimensional representations of data, in particular for time series. Performances are known to strongly depend on the quality (amount of noise) and the…

Applications · Statistics 2024-12-16 Mariia Legenkaia , Laurent Bourdieu , Rémi Monasson

Principal Component Analysis (PCA) is applied to the residuals of six widely used nuclear mass models to uncover systematic deviations and identify missing physical effects in theoretical nuclear mass predictions. By analyzing the principal…

Nuclear Theory · Physics 2026-03-03 Y. Y. Huang , X. H. Wu

Principal component analysis (PCA) is a statistical technique commonly used in multivariate data analysis. However, PCA can be difficult to interpret and explain since the principal components (PCs) are linear combinations of the original…

Mathematical Software · Computer Science 2013-12-24 W. Liu , H. Zhang , D. Tao , Y. Wang , K. Lu

Missing data is a commonly occurring problem in practice. Many imputation methods have been developed to fill in the missing entries. However, not all of them can scale to high-dimensional data, especially the multiple imputation…

Machine Learning · Computer Science 2023-03-21 Thu Nguyen , Hoang Thien Ly , Michael Alexander Riegler , Pål Halvorsen , Hugo L. Hammer

Principal component analysis (PCA) is a standard dimensionality reduction technique used in various research and applied fields. From an algorithmic point of view, classical PCA can be formulated in terms of operations on a multivariate…

Methodology · Statistics 2022-11-08 Ayisha Fayomi , Yannis Pantazis , Michail Tsagris , Andrew T. A. Wood