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Better buffers for patches in macroscale simulation of systems with microscale randomness
J. E. Bunder, A. J. Roberts, I. G. Kevrekidis
We consider one dimensional lattice diffusion model on a microscale grid with many discrete diffusivity values which repeat periodicially. Computer algebra explores how the dynamic…
Nonlinear Intrinsic Variables and State Reconstruction in Multiscale Simulations
Carmeline J. Dsilva, Ronen Talmon, Neta Rabin +2
Finding informative low-dimensional descriptions of high-dimensional simulation data (like the ones arising in molecular dynamics or kinetic Monte Carlo simulations of physical and…
Reduced models in chemical kinetics via nonlinear data-mining
Eliodoro Chiavazzo, C. William Gear, Carmeline J. Dsilva +2
The adoption of detailed mechanisms for chemical kinetics often poses two types of severe challenges: First, the number of degrees of freedom is large; and second, the dynamics is…
Analysis of data in the form of graphs
Karthikeyan Rajendran, Ioannis G. Kevrekidis
We discuss the problem of extending data mining approaches to cases in which data points arise in the form of individual graphs. Being able to find the intrinsic low-dimensionality…