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Even though the computation of local properties, such as densities or radial distribution functions, remains one of the most standard goals of molecular simulation, it still largely relies on straighforward histogram-based strategies. Here…

Computational Physics · Physics 2020-10-28 Benjamin Rotenberg

Full reconstruction of quantum states from measurement samples is often a prohibitively complex task, both in terms of the experimental setup and the scaling of the sample size with the system. This motivates the relatively easier task of…

Quantum Physics · Physics 2025-08-04 Clara Wassner , Jack Davis , Sacha Cerf , Ulysse Chabaud , Francesco Arzani

We consider a damped oscillator mode that is resonantly driven and is coupled to an arbitrary target system via the position quadrature operator. For such a composite open quantum system, we develop a numerical method to compute the reduced…

Quantum Physics · Physics 2024-07-02 Masaaki Tokieda

In this paper we propose new techniques to sample arbitrary third-order tensors, with an objective of speeding up tensor algorithms that have recently gained popularity in machine learning. Our main contribution is a new way to select, in a…

Machine Learning · Statistics 2015-02-23 Srinadh Bhojanapalli , Sujay Sanghavi

Sequential Monte Carlo algorithms (also known as particle filters) are popular methods to approximate filtering (and related) distributions of state-space models. However, they converge at the slow $1/\sqrt{N}$ rate, which may be an issue…

Computation · Statistics 2015-03-06 Nicolas Chopin , Mathieu Gerber

We study the accuracy of determining the phase space quasidistribution of a single quantized light mode by a photon counting experiment. We derive an exact analytical formula for the error of the experimental outcome. This result provides…

Optics · Physics 2015-06-26 Konrad Banaszek , Krzysztof Wodkiewicz

We derive the filtering equation for Markovian systems undergoing homodyne measurement in the situation where the output processes being monitored are squeezed. The filtering theory applies to case where the system is driven by Fock noise…

Quantum Physics · Physics 2016-07-12 Anita Dabrowska , John Gough

A valuable step in the modeling of multiscale dynamical systems in fields such as computational chemistry, biology, materials science and more, is the representative sampling of the phase space over long timescales of interest; this task is…

Machine Learning · Computer Science 2023-12-29 Ellis R. Crabtree , Juan M. Bello-Rivas , Ioannis G. Kevrekidis

We develop a hybrid Monte Carlo method to efficiently compute the physical observables from the samplings of the Laughlin and the Moore-Read wave functions of fractional quantum Hall (FQH) systems. With the advancements in methodology,…

Strongly Correlated Electrons · Physics 2026-02-20 Ting-Tung Wang , Ha Quang Trung , Qianhui Xu , Min Long , Bo Yang , Zi Yang Meng

We study several aspects of the recently introduced fixed-phase spin-orbit diffusion Monte Carlo (FPSODMC) method, in particular, its relation to the fixed-node method and its potential use as a general approach for electronic structure…

Computational Physics · Physics 2017-10-18 Cody A. Melton , Lubos Mitas

We develop a method for the random sampling of (multimode) Gaussian states in terms of their covariance matrix, which we refer to as a random quantum covariance matrix (RQCM). We analyze the distribution of marginals and demonstrate that…

Quantum Physics · Physics 2024-08-19 Leevi Leppäjärvi , Ion Nechita , Ritabrata Sengupta

Consider a Gaussian memoryless multiple source with $m$ components with joint probability distribution known only to lie in a given class of distributions. A subset of $k \leq m$ components are sampled and compressed with the objective of…

Information Theory · Computer Science 2018-03-16 Vinay Praneeth Boda

Monte Carlo simulations using Wang-Landau sampling are performed to study three-dimensional chains of homopolymers on a lattice. We confirm the accuracy of the method by calculating the thermodynamic properties of this system. Our results…

Statistical Mechanics · Physics 2016-08-16 A. G. Cunha Netto , C. J. Silva , A. A. Caparica , R. Dickman

We present an analysis of the time domain measurement of temporally resolvable quantum states using balanced homodyne detection. Our approach outlines a formalism of detecting quantum states in arbitrary temporal modes via projection of the…

Quantum Physics · Physics 2026-02-17 Owen Sandner , Brendan Mackey , Yuyang Liu , Connor Kupchak , Andrew MacRae

The performance of Hamiltonian Monte Carlo simulations crucially depends on both the integration timestep and the number of integration steps. We present an adaptive general-purpose framework to automatically tune such parameters, based on…

Computational Physics · Physics 2025-12-10 Henrik Christiansen , Federico Errica , Francesco Alesiani

To better understand the capture process by a nanopore, we introduce an efficient Kinetic Monte Carlo (KMC) algorithm that can simulate long times and large system sizes by mapping the dynamic of a point-like particle in a 3D spherically…

Biological Physics · Physics 2021-03-22 Le Qiao , Maxime Ignacio , Gary W. Slater

Spatially structured light fields applied to semiconductor quantum dots yield fundamentally different absorption spectra than homogeneous beams. In this paper, we theoretically discuss the resulting spectra for different light beams using a…

Mesoscale and Nanoscale Physics · Physics 2020-11-04 M. Holtkemper , G. F. Quinteiro , D. E. Reiter , T. Kuhn

We propose a manifold sampling algorithm for minimizing a nonsmooth composition $f= h\circ F$, where we assume $h$ is nonsmooth and may be inexpensively computed in closed form and $F$ is smooth but its Jacobian may not be available. We…

Optimization and Control · Mathematics 2022-01-14 Jeffrey Larson , Matt Menickelly , Baoyu Zhou

In this paper a method of obtaining smooth analytical estimates of probability densities, radial distribution functions and potentials of mean force from sampled data in a statistically controlled fashion is presented. The approach is…

Statistical Mechanics · Physics 2011-02-08 Ramses van Zon , Jeremy Schofield

We introduce a sampling theoretic framework for the recovery of smooth surfaces and functions living on smooth surfaces from few samples. The proposed approach can be thought of as a nonlinear generalization of union of subspace models…

Signal Processing · Electrical Eng. & Systems 2019-03-05 Qing Zou , Mathews Jacob