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Coarse-graining or model reduction is a term describing a range of approaches used to extend the time-scale of molecular simulations by reducing the number of degrees of freedom. In the context of molecular simulation, standard…

Dynamical Systems · Mathematics 2023-11-14 Thomas Hudson , Xingjie Helen Li

We review some recent coarse-graining and multi-scale methods, but also put forward some new ideas for addressing such issues. We find that, if one is guided by nonequilibrium statistical mechanics and thermodynamics, it is possible to…

Soft Condensed Matter · Physics 2009-11-06 Patrick Ilg , Vlasis Mavrantzas , Hans Christian Öttinger

We present a computer-assisted approach to coarse-graining the evolutionary dynamics of a system of nonidentical oscillators coupled through a (fixed) network structure. The existence of a spectral gap for the coupling network graph…

Statistical Mechanics · Physics 2015-05-28 Karthikeyan Rajendran , Ioannis G. Kevrekidis

Molecular dynamics simulations provide theoretical insight into the microscopic behavior of materials in condensed phase and, as a predictive tool, enable computational design of new compounds. However, because of the large temporal and…

Chemical Physics · Physics 2020-06-18 Wujie Wang , Rafael Gómez-Bombarelli

Discovering governing equations from data is crucial for understanding complex systems in many diverse fields from science to engineering. Yet, there still is a lack of versatile computational toolbox to deal with this long standing…

Chaotic Dynamics · Physics 2026-05-15 Chengzuo Zhuge , Zheng Jiang , Zhefan Xu , Wei Chen

We present a coarse-graining method applicable to dry scalar active matter with motility regulation. Our approach, based on a multiscale perturbative expansion of the backward Kolmogorov equation, does not rely on any specific microscopic…

Statistical Mechanics · Physics 2026-04-13 Alberto Dinelli , Pietro Luigi Muzzeddu

Phase reduction is a powerful technique in the study of nonlinear oscillatory systems. Under certain assumptions, it allows us to describe each multidimensional oscillator by a single phase variable, giving rise to simple phase models such…

Adaptation and Self-Organizing Systems · Physics 2025-10-22 Iván León , Riccardo Muolo , Shigefumi Hata , Hiroya Nakao

Coarse-grained models are a core computational tool in theoretical chemistry and biophysics. A judicious choice of a coarse-grained model can yield physical insight by isolating the essential degrees of freedom that dictate the…

Statistical Mechanics · Physics 2023-04-12 Shriram Chennakesavalu , David J. Toomer , Grant M. Rotskoff

The Kuramoto model is a dynamical system that models the interaction of coupled oscillators. There has been much work to effectively bound the number of equilibria to the Kuramoto model for a given network. By formulating the Kuramoto…

Algebraic Geometry · Mathematics 2024-09-26 Tianran Chen , Evgeniia Korchevskaia , Julia Lindberg

Model order reduction encompasses mathematical techniques aimed at reducing the complexity of mathematical models in simulations while retaining the essential characteristics and behaviors of the original model. This is particularly useful…

Quantum Physics · Physics 2026-04-21 Wentao Fan , Hakan E. Türeci

Understanding the mechanisms that govern collective synchronization is a paramount task in nonlinear dynamics. While higher-order (many-body) interactions have recently emerged as a powerful framework for capturing collective behaviors,…

Adaptation and Self-Organizing Systems · Physics 2025-12-19 Narumi Fujii , Keisuke Taga , Riccardo Muolo , Bob Rink , Hiroya Nakao

Synchronization of an ensemble of oscillators is an emergent phenomenon present in several complex systems, ranging from social and physical to biological and technological systems. The most successful approach to describe how coherent…

Adaptation and Self-Organizing Systems · Physics 2016-01-19 Francisco A. Rodrigues , Thomas K. DM. Peron , Peng Ji , Jürgen Kurths

Networks with different levels of interactions, including multilayer and multiplex networks, can display a rich diversity of dynamical behaviors and can be used to model and study a wide range of systems. Despite numerous efforts to…

Dynamical Systems · Mathematics 2023-10-09 Priya B. Jain , Tung T. Nguyen , Ján Mináč , Lyle E. Muller , Roberto C. Budzinski

The dynamical behavior of social systems can be described by agent-based models. Although single agents follow easily explainable rules, complex time-evolving patterns emerge due to their interaction. The simulation and analysis of such…

Dynamical Systems · Mathematics 2022-01-31 Jan-Hendrik Niemann , Stefan Klus , Christof Schütte

In this work, a novel approach for the reliable and efficient numerical integration of the Kuramoto model on graphs is studied. For this purpose, the notion of order parameters is revisited for the classical Kuramoto model describing…

Numerical Analysis · Mathematics 2021-08-02 Tobias Böhle , Christian Kuehn , Mechthild Thalhammer

Model reduction techniques have been widely used to study the collective behavior of globally coupled oscillators. However, most approaches assume that there are infinitely many oscillators. Here we propose a new ansatz, based on the…

Adaptation and Self-Organizing Systems · Physics 2020-08-10 Lachlan D Smith , Georg A Gottwald

Complex chaotic dynamics, seen in natural and industrial systems like turbulent flows and weather patterns, often span vast spatial domains with interactions across scales. Accurately capturing these features requires a high-dimensional…

Chaotic Dynamics · Physics 2024-10-03 C. Ricardo Constante-Amores , Alec J. Linot , Michael D. Graham

We develop an operator-based framework to coarse-grain interacting particle systems that exhibit clustering dynamics. Starting from the particle-based transfer operator, we first construct a sequence of reduced representations: the operator…

Statistical Mechanics · Physics 2026-04-10 Nathalie Wehlitz , Grigorios A. Pavliotis , Christof Schütte , Stefanie Winkelmann

The problem of constructing data-based, predictive, reduced models for the Kuramoto-Sivashinsky equation is considered, under circumstances where one has observation data only for a small subset of the dynamical variables. Accurate…

Numerical Analysis · Mathematics 2016-08-11 Fei Lu , Kevin Lin , Alexandre J. Chorin

We present a collective coordinate approach to describe coupled phase oscillators. We apply the method to study synchronisation in a Kuramoto model. In our approach an N-dimensional Kuramoto model is reduced to an n-dimensional ordinary…

Pattern Formation and Solitons · Physics 2015-05-21 Georg A. Gottwald