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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

A block spin renormalization group approach is proposed for the dynamical triangulation formulation of quantum gravity in arbitrary dimensions. Renormalization group flow diagrams are presented for the three-dimensional and four-dimensional…

High Energy Physics - Lattice · Physics 2009-10-28 Ray L. Renken

We review a few representative examples of granular experiments or models where phase separation, accompanied by domain coarsening, is a relevant phenomenon. We first elucidate the intrinsic non-equilibrium, or athermal, nature of granular…

Statistical Mechanics · Physics 2015-04-29 Andrea Baldassarri , Andrea Puglisi , Alessandro Sarracino

We present a data-driven machine-learning approach for modeling space-time socioeconomic dynamics. Through coarse-graining fine-scale observations, our modeling framework simplifies these complex systems to a set of tractable mechanistic…

Machine Learning · Computer Science 2024-07-26 James Koch , Pranab Roy Chowdhury , Heng Wan , Parin Bhaduri , Jim Yoon , Vivek Srikrishnan , W. Brent Daniel

We present the natural arguments for the rationality of a recently proposed simple approach for renormalization which is based solving differential equations. The renormalization group equation is also derived in a natural way and…

High Energy Physics - Phenomenology · Physics 2007-05-23 Ji-Feng Yang

Can complex engineered and biological networks be coarse-grained into smaller and more understandable versions in which each node represents an entire pattern in the original network? To address this, we define coarse-graining units (CGU)…

Molecular Networks · Quantitative Biology 2009-11-10 Shalev Itzkovitz , Reuven Levitt , Nadav Kashtan , Ron Milo , Michael Itzkovitz , Uri Alon

Coarse graining techniques play an essential role in accelerating molecular simulations of systems with large length and time scales. Theoretically grounded bottom-up models are appealing due to their thermodynamic consistency with the…

Computational Physics · Physics 2022-11-01 Blake R. Duschatko , Jonathan Vandermause , Nicola Molinari , Boris Kozinsky

We propose a new model for the description of complex granular particles and their interaction in molecular dynamics simulations of granular material in two dimensions. The grains are composed of triangles which are connected by deformable…

adap-org · Physics 2012-08-29 Thorsten Poeschel , Volkhard Buchholtz

We first define the coarse-graining of probability measures in terms of stochastic kernels. We define when a probability measure is part of another probability measure and say that two probability measures coexist if they are both parts of…

Quantum Physics · Physics 2022-10-14 Stan Gudder

In the present article, novel Coarse-Graining (CG) algorithms for the Eulerian-Lagrangian (EL) simulation of particle-laden flows are proposed. These include different variants of Reproducing Kernel Particle Methods (RKPM) and an extended…

Fluid Dynamics · Physics 2025-11-12 H. Eshraghi , E. Amani , M. Saffar-Avval

A computational tool for coarse-graining nonlinear systems of ordinary differential equations in time is discussed. Three illustrative model examples are worked out that demonstrate the range of capability of the method. This includes the…

Numerical Analysis · Mathematics 2017-11-23 Sabyasachi Chatterjee , Amit Acharya , Zvi Artstein

The primary objective of this work is to develop coarse-graining schemes for stochastic many-body microscopic models and quantify their effectiveness in terms of a priori and a posteriori error analysis. In this paper we focus on stochastic…

Numerical Analysis · Mathematics 2007-05-23 Markos A. Katsoulakis , Petr Plechac , Luc Rey-Bellet , Dimitrios K. Tsagkarogiannis

As an important technology in artificial intelligence Granular Computing (GrC) has emerged as a new multi-disciplinary paradigm and received much attention in recent years. Information granules forming an abstract and efficient…

Machine Learning · Computer Science 2020-04-10 Kaijie Xu , Witold Pedrycz , Zhiwu Li , Mengdao Xing

A model of simplicial quantum gravity in three dimensions is investigated numerically based on the technique of the dynamical triangulation (DT). We are concerned with the surfaces appearing on boundaries (i.e., sections) of…

High Energy Physics - Lattice · Physics 2009-10-30 H. S. Egawa , N. Tsuda

In this work, a coarse-graining method previously proposed by the authors in a companion paper based on solving diffusion equations is applied to CFD-DEM simulations, where coarse graining is used to obtain solid volume fraction, particle…

Computational Physics · Physics 2015-01-07 Rui Sun , Heng Xiao

We establish, through coarse-grained computation, a connection between traditional, continuum numerical algorithms (initial value problems as well as fixed point algorithms) and atomistic simulations of the Larson model of micelle…

Soft Condensed Matter · Physics 2009-11-10 Dmitry I. Kopelevich , Athanassios Z. Panagiotopoulos , Ioannis G. Kevrekidis

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

We propose a dynamic coarse-graining (CG) scheme for mapping heterogeneous polymer fluids onto extremely CG models in a dynamically consistent manner. The idea is to use as target function for the mapping a wave-vector dependent mobility…

Soft Condensed Matter · Physics 2021-05-26 Bing Li , Kostas Daoulas , Friederike Schmid

An extension of the restricted Delaunay-refinement algorithm for surface mesh generation is described, where a new point-placement scheme is introduced to improve element quality in the presence of mesh size constraints. Specifically, it is…

Computational Geometry · Computer Science 2016-06-28 Darren Engwirda , David Ivers

We introduce a generalized machine learning framework to probabilistically parameterize upper-scale models in the form of nonlinear PDEs consistent with a continuum theory, based on coarse-grained atomistic simulation data of mechanical…

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