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We introduce a graph renormalization procedure based on the coarse-grained Laplacian, which generates reduced-complexity representations for characteristic scales identified through the spectral gap. This method retains both diffusion…

Statistical Mechanics · Physics 2024-11-20 M. Schmidt , F. Caccioli , T. Aste

To investigate the impact of non-linear interactions on dynamic coarse graining, we study a simplified model system, featuring a tracer particle in a complex environment. Using a projection operator formalism and computer simulations, we…

Soft Condensed Matter · Physics 2023-07-18 Bernd Jung , Gerhard Jung

We develop coarse-graining schemes for stochastic many-particle microscopic models with competing short- and long-range interactions on a d-dimensional lattice. We focus on the coarse-graining of equilibrium Gibbs states and using cluster…

Numerical Analysis · Mathematics 2010-03-09 M. A. Katsoulakis , P. Plechac , L. Rey-Bellet , D. K. Tsagkarogiannis

Fluctuations in small biological systems can be crucial for their function. Large-deviation theory characterizes such rare events from the perspective of stochastic processes. In most cases it is very difficult to directly determine the…

Statistical Mechanics · Physics 2013-12-03 Artur Wachtel

We propose and illustrate an approach to coarse-graining the dynamics of evolving networks (networks whose connectivity changes dynamically). The approach is based on the equation-free framework: short bursts of detailed network evolution…

Social and Information Networks · Computer Science 2012-02-28 Katherine A. Bold , Karthikeyan Rajendran , Balázs Ráth , Ioannis G. Kevrekidis

Very recently, a kind of spatial network constructed with power-law distance distribution and total energy constriction is proposed. Moreover, it has been pointed out that such spatial networks have the optimal exponents $\delta$ in the…

Physics and Society · Physics 2015-05-19 An Zeng , Dong Zhou , Yanqing Hu , Ying Fan , Zengru Di

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

In many systems we can describe emergent macroscopic behaviors, quantitatively, using models that are much simpler than the underlying microscopic interactions; we understand the success of this simplification through the renormalization…

Biological Physics · Physics 2019-01-01 Leenoy Meshulam , Jeffrey L. Gauthier , Carlos D. Brody , David W. Tank , William Bialek

Structure-based coarse graining of molecular systems offers a systematic route to reproduce the many-body potential of mean force. Unfortunately, common strategies are inherently limited by the molecular mechanics force field employed.…

Soft Condensed Matter · Physics 2018-12-27 Tristan Bereau , Joseph F. Rudzinski

We explain a method, inspired by control theory model reduction and interpolation theory, that rigorously establishes the types of coarse graining that are appropriate for systems with quadratic, generalized Hamiltonians. For such systems,…

Statistical Mechanics · Physics 2007-05-23 David E. Reynolds

Contagion dynamics in complex networks drive critical phenomena such as epidemic spread and information diffusion,but their analysis remains computationally prohibitive in large-scale, high-complexity systems. Here, we introduce the…

Physics and Society · Physics 2024-12-31 Leyang Xue , Zengru Di , An Zeng

Molecular dynamics (MD) simulation is essential for various scientific domains but computationally expensive. Learning-based force fields have made significant progress in accelerating ab-initio MD simulation but are not fast enough for…

Machine Learning · Computer Science 2023-08-29 Xiang Fu , Tian Xie , Nathan J. Rebello , Bradley D. Olsen , Tommi Jaakkola

Networks of coupled phase oscillators are one of the most studied dynamical systems with numerous applications in physics, chemistry, biology, and engineering. Their behaviour is often characterized by the emergence of various partially…

Pattern Formation and Solitons · Physics 2026-02-27 Oleh E. Omel'chenko

Using an information theoretic point of view, we investigate how a dynamics acting on a network can be coarse grained through the use of graph partitions. Specifically, we are interested in how aggregating the state space of a Markov…

Physics and Society · Physics 2017-11-07 Mauro Faccin , Michael T. Schaub , Jean-Charles Delvenne

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

Finding accurate reduced descriptions for large, complex, dynamically evolving networks is a crucial enabler to their simulation, analysis, and, ultimately, design. Here we propose and illustrate a systematic and powerful approach to…

Chaotic Dynamics · Physics 2017-05-02 Tom Bertalan , Yan Wu , Carlo Laing , C. William Gear , Ioannis G. Kevrekidis

In recent years, simulation methods based on the scaling of atomic potential functions, such as quasi-coarse-grained dynamics and coarse-grained dynamics, have shown promising results for modeling crystalline systems at multiple scales.…

Mesoscale and Nanoscale Physics · Physics 2024-09-11 Dong-Dong Jiang , Jian-Li Shao

Oscillator networks represent a promising technology for unconventional computing and artificial intelligence. Thus far, these systems have primarily been demonstrated in small-scale implementations, such as Ising Machines for solving…

Disordered Systems and Neural Networks · Physics 2025-04-17 Théophile Rageau , Julie Grollier

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 perform the renormalization-group-like numerical analysis of geographically embedded complex networks on the two-dimensional square lattice. At each step of coarsegraining procedure, the four vertices on each $2 \times 2$ square box are…

Disordered Systems and Neural Networks · Physics 2007-05-23 Beom Jun Kim