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Finding collective variables to describe some important coarse-grained information on physical systems, in particular metastable states, remains a key issue in molecular dynamics. Recently, machine learning techniques have been intensively…

Chemical Physics · Physics 2024-03-15 Tony Lelièvre , Thomas Pigeon , Gabriel Stoltz , Wei Zhang

In this paper, we propose a low complexity quantum principal component analysis (qPCA) algorithm. Similar to the state-of-the-art qPCA, it achieves dimension reduction by extracting principal components of the data matrix, rather than all…

Quantum Physics · Physics 2021-01-14 Chen He , Jiazhen Li , Weiqi Liu , Z. Jane Wang

Probabilistic circuits (PCs) are powerful probabilistic models that enable exact and tractable inference, making them highly suitable for probabilistic reasoning and inference tasks. While dominant in neural networks, representation…

Machine Learning · Computer Science 2025-07-29 Steven Braun , Sahil Sidheekh , Antonio Vergari , Martin Mundt , Sriraam Natarajan , Kristian Kersting

Nonlinear principal component analysis (NLPCA) via autoencoders has attracted attention in the dynamical systems community due to its larger compression rate when compared to linear principal component analysis (PCA). These model reduction…

Fluid Dynamics · Physics 2022-11-15 Simon Kneer , Taraneh Sayadi , Denis Sipp , Peter Schmid , Georgios Rigas

Active flow control remains a significant challenge due to the high-dimensional, nonlinear nature of fluid dynamics. Quantum machine learning may prove effective in addressing these issues, given that quantum computing possesses superiority…

Fluid Dynamics · Physics 2026-01-27 Hongfu Zhang , Hui Tang

Theoretical research into many-body quantum systems has mostly focused on regular structures which have a small, simple unit cell and where a vanishingly small number of pairs of the constituents directly interact. Motivated by advances in…

Quantum Physics · Physics 2022-12-06 Joseph Tindall , Amy Searle , Abdulla Alhajri , Dieter Jaksch

Power flow analysis is a fundamental tool for power system analysis, planning, and operational control. Traditional Newton-Raphson methods suffer from limitations such as initial value sensitivity and low efficiency in batch computation,…

Systems and Control · Electrical Eng. & Systems 2025-12-02 Xuezhi Liu

Principal component analysis (PCA) is perhaps the most widely used method for data dimensionality reduction. A key question in PCA is deciding how many factors to retain. This manuscript describes a new approach to automatically selecting…

Methodology · Statistics 2026-02-10 Enes Makalic , Daniel F. Schmidt

Despite the rapid development of computational hardware, the treatment of large and high dimensional data sets is still a challenging problem. This paper provides a twofold contribution to the topic. First, we propose a Gaussian Mixture…

A state-of-the-art method that combines a quantum computational algorithm and machine learning, so-called quantum machine learning, can be a powerful approach for solving quantum many-body problems. However, the research scope in the field…

Computational Physics · Physics 2023-04-04 Shu Kanno , Tomofumi Tada

A quantum mechanics representation based on position ($\vec{r}$), linear momentum($\vec{p}$) and energy($E$) eigenvalues is presented here. A set of equations, explicitly independent on wave function, was derived relating these observables.…

Quantum Physics · Physics 2019-03-22 Jeconias Rocha Guimarães

Principal Component Analysis (PCA) is a foundational technique in machine learning for dimensionality reduction of high-dimensional datasets. However, PCA could lead to biased outcomes that disadvantage certain subgroups of the underlying…

Machine Learning · Computer Science 2025-03-04 Junhui Shen , Aaron J. Davis , Ding Lu , Zhaojun Bai

The hydrodynamic interpretation of quantum mechanics treats a system of particles in an effective manner. In this work, we investigate squeezed coherent states within the hydrodynamic interpretation. The Hamiltonian operator in question is…

Quantum Physics · Physics 2022-05-24 Nezihe Uzun

In this thesis we present new results relevant to two important problems in quantum information science: the development of a theory of entanglement and the exploration of the use of controlled quantum systems to the simulation of quantum…

Quantum Physics · Physics 2008-10-21 Fernando G. S. L. Brandao

In High Energy Physics experiments Particle Flow (PFlow) algorithms are designed to provide an optimal reconstruction of the nature and kinematic properties of the particles produced within the detector acceptance during collisions. At the…

Data Analysis, Statistics and Probability · Physics 2021-02-10 Francesco Armando Di Bello , Sanmay Ganguly , Eilam Gross , Marumi Kado , Michael Pitt , Lorenzo Santi , Jonathan Shlomi

Cosmic-ray acceleration processes in astrophysical plasmas are often investigated with fully-kinetic or hybrid kinetic numerical simulations, which enable us to describe a detailed microphysics of particle energization mechanisms. Tracing…

High Energy Astrophysical Phenomena · Physics 2025-02-12 Gabriel Torralba Paz , Artem Bohdan , Jacek Niemiec

The one-body reduced density matrix (1-RDM) of a many-body system at zero temperature gives direct access to many observables, such as the charge density, kinetic energy and occupation numbers. It would be desirable to express it as a…

Computational Physics · Physics 2021-01-27 Jack Wetherell , Andrea Costamagna , Matteo Gatti , Lucia Reining

Big data is transforming our world, revolutionizing operations and analytics everywhere, from financial engineering to biomedical sciences. The complexity of big data often makes dimension reduction techniques necessary before conducting…

Methodology · Statistics 2018-01-08 Jianqing Fan , Qiang Sun , Wen-Xin Zhou , Ziwei Zhu

Principal Component Analysis (PCA) is the workhorse tool for dimensionality reduction in this era of big data. While often overlooked, the purpose of PCA is not only to reduce data dimensionality, but also to yield features that are…

Machine Learning · Computer Science 2021-11-30 Arpita Gang , Waheed U. Bajwa

Principal Component Analysis (PCA) is a fundamental tool for representation learning, but its global linear formulation fails to capture the structure of data supported on curved manifolds. In contrast, manifold learning methods model…

Machine Learning · Computer Science 2026-04-22 Alexandre L. M. Levada