Related papers: Data-driven Selection of Coarse-Grained Models of …
We present a promising coarse-graining strategy for linking micro- and mesoscales of soft matter systems. The approach is based on effective pairwise interaction potentials obtained from detailed atomistic molecular dynamics (MD)…
Reduced-order models of flame dynamics can be used to predict and mitigate the emergence of thermoacoustic oscillations in the design of gas turbine and rocket engines. This process is hindered by the fact that these models, although often…
High-dimensional recordings of dynamical processes are often characterized by a much smaller set of effective variables, evolving on low-dimensional manifolds. Identifying these latent dynamics requires solving two intertwined problems:…
In many far-from-equilibrium biological systems, energy injected by irreversible processes at microscopic scales propagates to larger scales to fulfill important biological functions. But given dissipative dynamics at the microscale, how…
The contemporary scientific landscape is characterized by a "curse of dimensionality," where our capacity to collect high-dimensional network data frequently outstrips our ability to computationally simulate or intuitively comprehend the…
Simulations of chaotic systems can only produce high-fidelity trajectories if the initial and boundary conditions are well specified. When these conditions are unknown but measurements are available, variational state estimation can…
In computational materials science, coarse-graining approaches often lack a priori uncertainty quantification (UQ) tools that estimate the accuracy of a reduced-order model before it is calibrated or deployed. This is especially the case in…
A generalized Kuramoto model of coupled phase oscillators with slowly varying coupling matrix is studied. The dynamics of the coupling coefficients is driven by the phase difference of pairs of oscillators in such a way that the coupling…
A modified Kuramoto model of synchronization in a finite discrete system of locally coupled oscillators is studied. The model consists of N oscillators with random natural frequencies arranged on a ring. It is shown analytically and…
Molecular dynamics (MD) simulations provide detailed insight into atomic-scale mechanisms but are inherently restricted to small spatio-temporal scales. Coarse-grained molecular dynamics (CGMD) techniques allow simulations of much larger…
A major current challenge poses the systematic construction of coarse-grained models that are dynamically consistent, and, moreover, might be used for systems driven out of thermal equilibrium. Here we present a novel prescription that…
We consider oscillator ensembles consisting of subpopulations of identical units, with a general heterogeneous coupling between subpopulations. Using the Watanabe-Strogatz ansatz we reduce the dynamics of the ensemble to a relatively small…
Coupled natural systems are generally modeled at multiple abstraction levels. Both structural scale and behavioral complexity of these models are determinants in the kinds of questions that can be posed and answered. As scale and complexity…
Incorporating atomistic and molecular information into models of cellular behaviour is challenging because of a vast separation of spatial and temporal scales between processes happening at the atomic and cellular levels. Multiscale or…
Kinetically constrained spin models are known to exhibit dynamical behavior mimicking that of glass forming systems. They are often understood as coarse-grained models of glass formers, in terms of some "mobility" field. The identity of…
Computing reduced-order models using non-intrusive methods is particularly attractive for systems that are simulated using black-box solvers. However, obtaining accurate data-driven models can be challenging, especially if the underlying…
We consider the Kuramoto model on sparse random networks such as the Erd\H{o}s-R\'enyi graph or its combination with a regular two-dimensional lattice and study the dynamical scaling behavior of the model at the synchronization transition…
We investigate two different types of non-Markovian coarse-grained models extracted from a linear, non-equilibrium microscopic system, featuring a tagged particle coupled to underdamped oscillators. The first model is obtained by…
Inspired by the Deffuant and Hegselmann-Krause models of opinion dynamics, we extend the Kuramoto model to account for confidence bounds, i.e., vanishing interactions between pairs of oscillators when their phases differ by more than a…
Identifying the relevant coarse-grained degrees of freedom in a complex physical system is a key stage in developing powerful effective theories in and out of equilibrium. The celebrated renormalization group provides a framework for this…