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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.…

Biomolecules · Quantitative Biology 2019-05-30 Matthias Post , Steffen Wolf , Gerhard Stock

This paper examines several applications of principal component analysis (PCA) to physical systems. The first of these demonstrates that the principal components in a basis of appropriate system variables can be employed to identify…

Data Analysis, Statistics and Probability · Physics 2021-02-24 David Yevick

The properties of the ferromagnetic frustrated spin-S one-dimensional Heisenberg model in the vicinity of the transition point from the ferromagnetic to the singlet ground state is studied using the perturbation theory (PT) in small…

Strongly Correlated Electrons · Physics 2009-11-11 D. V. Dmitriev , V. Ya. Krivnov , J. Richter

We use the spin functional renormalization group to investigate the $J_1$-$J_2$ quantum Heisenberg model on a square lattice. By incorporating sum rules associated with the fixed length of the spin operators as well as the nontrivial…

Strongly Correlated Electrons · Physics 2024-05-08 Andreas Rückriegel , Dmytro Tarasevych , Peter Kopietz

For a linear system, the response to a stimulus is often superposed by its responses to other decomposed stimuli. In quantum mechanics, a state is the superposition of multiple eigenstates. Here, by taking advantage of the phase difference,…

Machine Learning · Computer Science 2020-04-06 Chen Miao , Shaohua Ma

We present quasicyclic principal component analysis (QPCA), a generalization of principal component analysis (PCA), that determines an optimized basis for a dataset in terms of families of shift-orthogonal principal vectors. This is of…

Numerical Analysis · Mathematics 2025-02-11 Susanna E. Rumsey , Stark C. Draper , Frank R. Kschischang

Principal Component Analysis (PCA) is an important tool of dimension reduction especially when the dimension (or the number of variables) is very high. Asymptotic studies where the sample size is fixed, and the dimension grows [i.e., High…

Statistics Theory · Mathematics 2009-11-20 Sungkyu Jung , J. S. Marron

The success of machine learning models relies heavily on effectively representing high-dimensional data. However, ensuring data representations capture human-understandable concepts remains difficult, often requiring the incorporation of…

Machine Learning · Statistics 2024-11-01 Jiayu Su , David A. Knowles , Raul Rabadan

We study the ground-state phase diagram of a spin-1 Heisenberg chain with staggered long-range (LR) interactions decaying as $\propto r^{-\alpha}$ using a quantum Monte Carlo approach based on the split-spin representation. This formulation…

Strongly Correlated Electrons · Physics 2026-04-23 Justin Tim-Lok Chau , Jiarui Zhao , Nicolas Laflorencie , Zi Yang Meng

The quantum phases of 2-leg spin-1/2 ladders with skewed rungs are obtained using exact diagonalization of systems with up to 26 spins and by density matrix renormalization group calculations to 500 spins. The ladders have isotropic…

Strongly Correlated Electrons · Physics 2017-06-07 Geetanjali Giri , Dayasindhu Dey , Manoranjan Kumar , S. Ramasesha , Zoltán G. Soos

Distributed algorithms and theories are called for in this era of big data. Under weaker local signal-to-noise ratios, we improve upon the celebrated one-round distributed principal component analysis (PCA) algorithm designed in the spirit…

Methodology · Statistics 2025-07-01 ZeYu Li , Xinsheng Zhang , Wang Zhou

Quantum spin liquids (QSLs) are long-range entangled phases of frustrated magnets exhibiting fractionalized spin excitations. In two dimensions, there is limited analytical understanding of their excitation spectra beyond parton mean-field…

Strongly Correlated Electrons · Physics 2025-08-01 Josef Willsher , Johannes Knolle

Principal component analysis (PCA) is largely adopted for chemical process monitoring and numerous PCA-based systems have been developed to solve various fault detection and diagnosis problems. Since PCA-based methods assume that the…

Machine Learning · Computer Science 2017-12-13 Haitao Zhao

Principal Component Analysis (PCA) is a well-known multivariate technique used to decorrelate a set of vectors. PCA has been extensively applied in the past to the classification of stellar and galaxy spectra. Here we apply PCA to the…

Astrophysics · Physics 2007-05-23 I. Ferreras , B. Rogers , O. Lahav , .

Determining phase diagrams and phase transitions semi-automatically using machine learning has received a lot of attention recently, with results in good agreement with more conventional approaches in most cases. When it comes to more…

Disordered Systems and Neural Networks · Physics 2019-12-04 Hugo Théveniaut , Fabien Alet

We investigate the quantum phase transitions in the frustrated antiferromagnetic Heisenberg model for $\rm SrCu_2(BO_3)_2$ by using the series expansion method. It is found that a novel spin-gap phase, which is adiabatically connected to…

Strongly Correlated Electrons · Physics 2009-10-31 Akihisa Koga , Norio Kawakami

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

We study distributed principal component analysis (PCA) in high-dimensional settings under the spiked model. In such regimes, sample eigenvectors can deviate significantly from population ones, introducing a persistent bias. Existing…

Methodology · Statistics 2025-05-29 Weiming Li , Zeng Li , Siyu Wang , Yanqing Yin , Junpeng Zhu

A system with many degrees of freedom can be characterized by a covariance matrix; principal components analysis (PCA) focuses on the eigenvalues of this matrix, hoping to find a lower dimensional description. But when the spectrum is…

Biological Physics · Physics 2017-04-26 Serena Bradde , William Bialek

Previous versions of sparse principal component analysis (PCA) have presumed that the eigen-basis (a $p \times k$ matrix) is approximately sparse. We propose a method that presumes the $p \times k$ matrix becomes approximately sparse after…

Machine Learning · Statistics 2023-08-07 Fan Chen , Karl Rohe