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The data-based discovery of effective, coarse-grained (CG) models of high-dimensional dynamical systems presents a unique challenge in computational physics and particularly in the context of multiscale problems. The present paper offers a…

Computational Physics · Physics 2021-02-10 Sebastian Kaltenbach , Phaedon-Stelios Koutsourelakis

Discrete models usually represent approximations to continuum physics. Cylindrical consistency provides a framework in which discretizations mirror exactly the continuum limit. Being a standard tool for the kinematics of loop quantum…

General Relativity and Quantum Cosmology · Physics 2015-06-05 Bianca Dittrich

We review a coarse-graining strategy (multiblob approach) for polymer solutions in which groups of monomers are mapped onto a single atom (a blob) and effective blob-blob interactions are obtained by requiring the coarse-grained model to…

Soft Condensed Matter · Physics 2015-03-19 Giuseppe D'Adamo , Andrea Pelissetto , Carlo Pierleoni

This work is concerned with model reduction of stochastic differential equations and builds on the idea of replacing drift and noise coefficients of preselected relevant, e.g. slow variables by their conditional expectations. We extend…

Analysis of PDEs · Mathematics 2020-03-05 Carsten Hartmann , Lara Neureither , Upanshu Sharma

A continuum model for the phase separation and coarsening, observed in electrostatically driven granular media, is formulated in terms of a Ginzburg-Landau equation subject to conservation of the total number of grains. In the regime of…

Soft Condensed Matter · Physics 2016-08-31 I. S. Aranson , B. Meerson , P. V. Sasorov , V. M. Vinokur

Quantifying the irreversibility and dissipation of non-equilibrium processes is crucial to understanding their behavior, assessing their possible capabilities, and characterizing their efficiency. We introduce a physical quantity that…

Statistical Mechanics · Physics 2025-11-13 Alvaro Lanza , Inés Martínez-Martín , Rafael Tapia-Rojo , Stefano Bo

Coarse graining (CG) is an important task for efficient modeling and simulation of complex multi-scale systems, such as the conformational dynamics of biomolecules. This work presents a projection-based coarse-graining formalism for general…

Computational Physics · Physics 2026-05-28 Vahid Nateghi , Lara Neureither , Selma Moqvist , Carsten Hartmann , Simon Olsson , Feliks Nüske

Recent advances in deep learning frameworks have established valuable tools for analyzing the long-timescale behavior of complex systems such as proteins. Especially the inclusion of physical constraints, e.g. time-reversibility, was a…

Quantitative Methods · Quantitative Biology 2021-12-22 Andreas Mardt , Frank Noé

We introduce an RG-inspired coarse-graining for extracting the collective features of data. The key to successful coarse-graining lies in finding appropriate pairs of data sets. We coarse-grain the two closest data in a regular real-space…

Data Analysis, Statistics and Probability · Physics 2023-07-19 Jonathan Landy , Tsvi Tlusty , YeongKyu Lee , YongSeok Jho

A general formulation of stochastic thermodynamics is presented for open systems exchanging energy and particles with multiple reservoirs. By introducing a partition in terms of "macrostates" (e.g. sets of "microstates"), the consequence on…

Statistical Mechanics · Physics 2015-06-03 Massimiliano Esposito

We derive a coarse-grained description of the dynamics of a nanoparticle immersed in an isothermal simple fluid by performing a systematic coarse graining of the underlying microscopic dynamics. As coarse-grained or relevant variables we…

Mesoscale and Nanoscale Physics · Physics 2016-01-20 Pep Español , Aleksandar Donev

Coarse-grained descriptions of dislocation motion in crystalline metals inherently represent a loss of information regarding dislocation-dislocation interactions. In the present work, we consider a coarse-graining framework capable of…

Materials Science · Physics 2020-12-21 Joseph Anderson , Anter El-Azab

Cellular regulatory dynamics is driven by large and intricate networks of interactions at the molecular scale, whose sheer size obfuscates understanding. In light of limited experimental data, many parameters of such dynamics are unknown,…

Quantitative Methods · Quantitative Biology 2014-04-30 Bryan C. Daniels , Ilya Nemenman

Statistical (machine learning) tools for equation discovery require large amounts of data that are typically computer generated rather than experimentally observed. Multiscale modeling and stochastic simulations are two areas where learning…

Machine Learning · Statistics 2021-03-17 Joseph Bakarji , Daniel M. Tartakovsky

We study coarse-grained (group-level) alignment dynamics of individual-based animal group models for {\it heterogeneous} populations consisting of informed (on preferred directions) and uninformed individuals. The orientation of each…

Quantitative Methods · Quantitative Biology 2007-05-23 Sung Joon Moon , B. Nabet , Naomi E. Leonard , Simon A. Levin , I. G. Kevrekidis

Quantifying energy flows at nanometer scales promises to guide future research in a variety of disciplines, from microscopic control and manipulation, to autonomously operating molecular machines. A general understanding of the…

Statistical Mechanics · Physics 2018-11-26 Steven J. Large , Raphaël Chetrite , David A. Sivak

Coarse-graining (CG) of molecular simulations simplifies the particle representation by grouping selected atoms into pseudo-beads and drastically accelerates simulation. However, such CG procedure induces information losses, which makes…

Machine Learning · Computer Science 2022-06-20 Wujie Wang , Minkai Xu , Chen Cai , Benjamin Kurt Miller , Tess Smidt , Yusu Wang , Jian Tang , Rafael Gómez-Bombarelli

Reducing the complexity of large systems described as complex networks is key to understand them and a crucial issue is to know which properties of the initial system are preserved in the reduced one. Here we use random walks to design a…

Disordered Systems and Neural Networks · Physics 2009-11-13 David Gfeller , Paolo De los Rios

Coarse graining is a common imperfection of realistic quantum measurement, obstructing the direct observation of quantum features. Under highly coarse-grained measurement, we experimentally detect the continuous-variable nonclassicality of…

Quantum Physics · Physics 2023-10-19 Chan Roh , Young-Do Yoon , Jiyong Park , Young-Sik Ra

We present recent results on coarse-graining techniques for thermodynamic quantities (canonical averages) and dynamical quantities (averages of path functionals over solutions of overdamped Langevin equations). The question is how to obtain…

Probability · Mathematics 2010-08-24 Frederic Legoll , Tony Lelievre
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