Scientific machine learning for closure models in multiscale problems: A review

B Sanderse, P Stinis, R Maulik, SE Ahmed - arXiv preprint arXiv …, 2024 - arxiv.org
Closure problems are omnipresent when simulating multiscale systems, where some
quantities and processes cannot be fully prescribed despite their effects on the simulation's …

Data-Driven Learning for the Mori--Zwanzig Formalism: A Generalization of the Koopman Learning Framework

YT Lin, Y Tian, D Livescu, M Anghel - SIAM Journal on Applied Dynamical …, 2021 - SIAM
A theoretical framework which unifies the conventional Mori--Zwanzig formalism and the
approximate Koopman learning of deterministic dynamical systems from noiseless …

Learning stochastic dynamics with statistics-informed neural network

Y Zhu, YH Tang, C Kim - Journal of Computational Physics, 2023 - Elsevier
We introduce a machine-learning framework named statistics-informed neural network
(SINN) for learning stochastic dynamics from data. This new architecture was theoretically …

Data-driven construction of stochastic reduced dynamics encoded with non-Markovian features

Z She, P Ge, H Lei - The Journal of Chemical Physics, 2023 - pubs.aip.org
One important problem in constructing the reduced dynamics of molecular systems is the
accurate modeling of the non-Markovian behavior arising from the dynamics of unresolved …

Dynamics of liquids in the large-dimensional limit

C Liu, G Biroli, DR Reichman, G Szamel - Physical Review E, 2021 - APS
In this paper we analytically derive the exact closed dynamical equations for a liquid with
short-ranged interactions in large spatial dimensions using the same statistical mechanics …

Data-driven molecular modeling with the generalized Langevin equation

F Grogan, H Lei, X Li, NA Baker - Journal of computational physics, 2020 - Elsevier
The complexity of molecular dynamics simulations necessitates dimension reduction and
coarse-graining techniques to enable tractable computation. The generalized Langevin …

Data-driven model reduction for stochastic Burgers equations

F Lu - Entropy, 2020 - mdpi.com
We present a class of efficient parametric closure models for 1D stochastic Burgers
equations. Casting it as statistical learning of the flow map, we derive the parametric form by …

General validity of the second fluctuation-dissipation theorem in the nonequilibrium steady state: Theory and applications

Y Zhu, H Lei, C Kim - Physica Scripta, 2023 - iopscience.iop.org
In this paper, we derive a generalized second fluctuation-dissipation theorem (FDT) for
stochastic dynamical systems in the steady state and further show that if the system is highly …

Effective Mori-Zwanzig equation for the reduced-order modeling of stochastic systems

Y Zhu, H Lei - arXiv preprint arXiv:2102.01377, 2021 - arxiv.org
Built upon the hypoelliptic analysis of the effective Mori-Zwanzig (EMZ) equation for
observables of stochastic dynamical systems, we show that the obtained semigroup …

[HTML][HTML] Hypoellipticity and the Mori–Zwanzig formulation of stochastic differential equations

Y Zhu, D Venturi - Journal of Mathematical Physics, 2021 - pubs.aip.org
We develop a thorough mathematical analysis of the effective Mori–Zwanzig (EMZ) equation
governing the dynamics of noise-averaged observables in stochastic differential equations …