Deciding the Nature of the Coarse Equation through Microscopic Simulations: The Baby-Bathwater Scheme
From MaRDI portal
Publication:5757484
DOI10.1137/070692303zbMATH Open1147.82347arXivphysics/0212034OpenAlexW1976998484MaRDI QIDQ5757484FDOQ5757484
Authors: Ju Li, C. William Gear, I. G. Kevrekidis, Panayotis G. Kevrekidis 
Publication date: 7 September 2007
Published in: SIAM Review (Search for Journal in Brave)
Abstract: Recent developments in multiscale computation allow the solution of ``coarse equations for the expected macroscopic behavior of microscopically/stochastically evolving particle distributions without ever obtaining these coarse equations in closed form. The closure is obtained ``on demand through appropriately initialized bursts of microscopic simulation. The effective coupling of microscopic simulators with macrosocopic behavior embodied in this approach requires certain decisions about the nature of the unavailable ``coarse equation. Such decisions include (a) the determination of the highest spatial derivative active in the equation, (b) whether the coarse equation satisfies certain conservation laws, and (c) whether the coarse dynamics is Hamiltonian. These decisions affect the number and type of boundary conditions as well as the nature of the algorithms employed in good solution practice. In the absence of an explicit formula for the temporal derivative, we propose, implement and validate a simple scheme for deciding these and other similar questions about the coarse equation using only the microscopic simulator. Microscopic simulations under periodic boundary conditions are carried out for appropriately chosen families of random initial conditions; evaluating the sample variance of certain statistics over the simulation ensemble allows us to infer the highest order of spatial derivatives active in the coarse equation. In the same spirit we show how to determine whether a certain coarse conservation law exists or not, and we discuss plausibility tests for the existence of a coarse Hamiltonian or integrability. We argue that such schemes constitute an important part of the equation-free approach to multiscale computation.
Full work available at URL: https://arxiv.org/abs/physics/0212034
Recommendations
- Deciding the Nature of the Coarse Equation through Microscopic Simulations: The Baby-Bathwater Scheme
- scientific article; zbMATH DE number 2232774
- Equation-free, coarse-grained multiscale computation: enabling microscopic simulators to perform system-level analysis
- Coarse projective kMC integration: Forward/reverse initial and boundary value problems
- Equation-free computation: An overview of patch dynamics
Stochastic particle methods (65C35) Identification in stochastic control theory (93E12) Dynamic continuum models (systems of particles, etc.) in time-dependent statistical mechanics (82C21) Numerical methods for partial differential equations, boundary value problems (65N99)
Cited In (19)
- Deciding the Nature of the Coarse Equation through Microscopic Simulations: The Baby-Bathwater Scheme
- Incorporating physical constraints in a deep probabilistic machine learning framework for coarse-graining dynamical systems
- Equation-free analysis of agent-based models and systematic parameter determination
- Higher-order averaging, formal series and numerical integration. I: B-series
- Analysis of Control Volume Heterogeneous Multiscale Methods for Single Phase Flow in Porous Media
- Coarse projective kMC integration: Forward/reverse initial and boundary value problems
- Equation-free computation of coarse-grained center manifolds of microscopic simulators
- An analysis of noise propagation in the multiscale simulation of coarse Fokker-Planck equations
- Accuracy of Patch Dynamics with Mesoscale Temporal Coupling for Efficient Massively Parallel Simulations
- Modeling disease transmission near eradication: an equation free approach
- Equation-free, coarse-grained multiscale computation: enabling microscopic simulators to perform system-level analysis
- From molecular dynamics to coarse self-similar solutions: a simple example using equation-free computation
- Good coupling for the multiscale patch scheme on systems with microscale heterogeneity
- A perspective on trends in multiscale plasticity
- Data-driven control of agent-based models: an equation/variable-free machine learning approach
- Parameter estimation for rough differential equations
- Physics-constrained, data-driven discovery of coarse-grained dynamics
- High-order stroboscopic averaging methods for highly oscillatory delay problems
- Constraint energy minimizing generalized multiscale finite element method
Uses Software
This page was built for publication: Deciding the Nature of the Coarse Equation through Microscopic Simulations: The Baby-Bathwater Scheme
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q5757484)
