Fast-forward prediction of lattice Boltzmann dynamics with physics-informed neural operators

X Xiao Xue M Marco F. P. ten Eikelder M Mingyang Gao X Xiaoyuan Cheng Y Yiming Yang (Department of Chemistry and International Institute for Nanotechnology) Y Yi He (College of Chemistry and Chemical Engineering) S Shuo Wang S Sibo Cheng Y Yukun Hu P Peter V. Coveney

Abstract

Abstract The lattice Boltzmann equation (LBE), rooted in kinetic theory, captures complex flow behaviour by evolving single-particle distribution functions (PDFs), but its explicit time-stepping makes large-scale simulation computationally intensive. Here we introduce a physics-informed neural operator framework that predicts the LBE evolution over large time jumps without performing step-by-step forward integration, bypassing the need to solve the collision kernel explicitly. The model embeds intrinsic moment-matching constraints and global equivariance of the distribution field, preserving the kinetic structure of the underlying system. The framework is discretization-invariant: models trained on coarse-grained PDFs perform inference on finer grids even when the relaxation time differs between resolutions. It is also agnostic to the lattice Boltzmann formulation, allowing the same architecture to be reused across different kinetic datasets. Across von Kármán vortex shedding, ligament breakup, and bubble adhesion, the framework offers a robust data-driven pathway for accelerating the lattice Boltzmann based dynamical systems.

Article Details

Volume / Issue Vol. 1, Issue 1
Published July 29, 2026
ISSN 2041-1723
Publisher Nature Portfolio

Journal Info

Nature Communications

Nature Portfolio

ISSN: 2041-1723 Open Access Life Sciences

Authors (10)

X

Xiao Xue

M

Marco F. P. ten Eikelder

M

Mingyang Gao

X

Xiaoyuan Cheng

Y

Yiming Yang

Department of Chemistry and International Institute for Nanotechnology

Y

Yi He

College of Chemistry and Chemical Engineering

S

Shuo Wang

S

Sibo Cheng

Y

Yukun Hu

P

Peter V. Coveney