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For the study of complex synthetic and biological molecular systems by computer simulations one is still restricted to simple model systems or to by far too small time scales. To overcome this problem multiscale techniques are being…

Statistical Mechanics · Physics 2007-05-23 Matej Praprotnik , Kurt Kremer , Luigi Delle Site

We present a methodology for simulating dilute suspensions of particles settling under gravity, with the main purpose of overcoming limitations of triply periodic configurations, mainly the strong vertical correlation that hinders the study…

Fluid Dynamics · Physics 2026-04-24 M. Moriche , M. García-Villalba , M. Uhlmann

Modelling real world systems frequently requires the solution of systems of nonlinear equations. A number of approaches have been suggested and developed for this computational problem. However, it is also possible to attempt solutions…

Computation · Statistics 2025-01-07 John C. Nash , Ravi Varadhan

Recent years have seen an increased level of interest in pricing equity options under a stochastic volatility model such as the Heston model. Often, simulating a Heston model is difficult, as a standard finite difference scheme may lead to…

Computational Finance · Quantitative Finance 2011-11-28 Ian Iscoe , Asif Lakhany

In this paper, we propose a class of efficient, accurate, and general methods for solving state-estimation problems with equality and inequality constraints. The methods are based on recent developments in variable splitting and partially…

Optimization and Control · Mathematics 2020-12-02 Rui Gao , Filip Tronarp , Simo Särkkä

Spherical symmetry is ubiquitous in nature. It's therefore unfortunate that spherical system simulations are so hard, and require complete spheres with millions of interacting particles. Here we introduce an approach to model spherical…

Materials Science · Physics 2011-10-07 Pekka Koskinen , Oleg O. Kit

We use differential equations based approaches to provide some {\it \textbf{physics}} insights into analyzing the dynamics of popular optimization algorithms in machine learning. In particular, we study gradient descent, proximal gradient…

Machine Learning · Computer Science 2018-10-26 Lin F. Yang , R. Arora , V. Braverman , Tuo Zhao

The use of machine learning algorithms to predict behaviors of complex systems is booming. However, the key to an effective use of machine learning tools in multi-physics problems, including combustion, is to couple them to physical and…

The physical sciences are replete with dynamical systems that require the resolution of a wide range of length and time scales. This presents significant computational challenges since direct numerical simulation requires discretization at…

Machine Learning · Computer Science 2025-11-11 Andrew F. Ilersich , Prasanth B. Nair

A symplectic, symmetric, second-order scheme is constructed for particle evolution in a time-dependent field with a fixed spatial step. The scheme is implemented in one space dimension and tested, showing excellent adequacy to experiment…

Computational Physics · Physics 2012-07-12 Alberto Ruzzon , Yves Elskens , Fabrice Doveil

We develop reduced, stochastic models for high dimensional, dissipative dynamical systems that relax very slowly to equilibrium and can encode long term memory. We present a variety of empirical and first principles approaches for model…

Statistical Mechanics · Physics 2017-05-24 Shankar C. Venkataramani , Raman C. Venkataramani , Juan M. Restrepo

The simulation of high-energy physics collision events is a key element for data analysis at present and future particle accelerators. The comparison of simulation predictions to data allows looking for rare deviations that can be due to…

High Energy Physics - Experiment · Physics 2024-07-16 Francesco Vaselli , Filippo Cattafesta , Patrick Asenov , Andrea Rizzi

Hamilton's equations are fundamental for modeling complex physical systems, where preserving key properties such as energy and momentum is crucial for reliable long-term simulations. Geometric integrators are widely used for this purpose,…

Machine Learning · Computer Science 2026-03-17 Priscilla Canizares , Davide Murari , Carola-Bibiane Schönlieb , Ferdia Sherry , Zakhar Shumaylov

The numerical solution of high dimensional Vlasov equation is usually performed by particle-in-cell (PIC) methods. However, due to the well-known numerical noise, it is challenging to use PIC methods to get a precise description of the…

Numerical Analysis · Mathematics 2015-10-20 Bei Wang , Greg Miller , Phil Colella

One of the foremost goals of research in physics is to find the most basic and universal theories that describe our universe. Many theories assume the presence of an absolute space and time in which the physical objects are located and…

History and Philosophy of Physics · Physics 2022-09-27 Sahand Tokasi , Peter Pickl

This study aims at finding a method for constructing molecular dynamics like models using the formalism of cellular automata for fast simulation of fluid dynamic systems (including compressible phenomena). In as much as the results…

comp-gas · Physics 2009-09-25 Himanshu Agrawal

Self-consistent multi-particle simulation plays an important role in studying beam-beam effects and space charge effects in high-intensity beams. The Poisson equation has to be solved at each time-step based on the particle density…

Accelerator Physics · Physics 2014-10-15 J. Qiang , S. Paret

While existing mathematical descriptions can accurately account for phenomena at microscopic scales (e.g. molecular dynamics), these are often high-dimensional, stochastic and their applicability over macroscopic time scales of physical…

Machine Learning · Statistics 2016-09-08 P. S. Koutsourelakis , Elias Bilionis

Dimension reduction algorithms are a crucial part of many data science pipelines, including data exploration, feature creation and selection, and denoising. Despite their wide utilization, many non-linear dimension reduction algorithms are…

Machine Learning · Statistics 2024-08-06 Ryan Murray , Adam Pickarski

In this work, we study the problem of learning partially observed linear dynamical systems from a single sample trajectory. A major practical challenge in the existing system identification methods is the undesirable dependency of their…

Machine Learning · Computer Science 2020-10-09 Salar Fattahi
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