Differentiable Physics-Neural Models enable Learning of Non-Markovian Closures for Accelerated Coarse-Grained Physics Simulations

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Hauptverfasser: Xue, Tingkai, Ooi, Chin Chun, Ge, Zhengwei, Leong, Fong Yew, Li, Hongying, Kang, Chang Wei
Format: Preprint
Veröffentlicht: 2025
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author Xue, Tingkai
Ooi, Chin Chun
Ge, Zhengwei
Leong, Fong Yew
Li, Hongying
Kang, Chang Wei
author_facet Xue, Tingkai
Ooi, Chin Chun
Ge, Zhengwei
Leong, Fong Yew
Li, Hongying
Kang, Chang Wei
contents Numerical simulations provide key insights into many physical, real-world problems. However, while these simulations are solved on a full 3D domain, most analysis only require a reduced set of metrics (e.g. plane-level concentrations). This work presents a hybrid physics-neural model that predicts scalar transport in a complex domain orders of magnitude faster than the 3D simulation (from hours to less than 1 min). This end-to-end differentiable framework jointly learns the physical model parameterization (i.e. orthotropic diffusivity) and a non-Markovian neural closure model to capture unresolved, 'coarse-grained' effects, thereby enabling stable, long time horizon rollouts. This proposed model is data-efficient (learning with 26 training data), and can be flexibly extended to an out-of-distribution scenario (with a moving source), achieving a Spearman correlation coefficient of 0.96 at the final simulation time. Overall results show that this differentiable physics-neural framework enables fast, accurate, and generalizable coarse-grained surrogates for physical phenomena.
format Preprint
id arxiv_https___arxiv_org_abs_2511_21369
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Differentiable Physics-Neural Models enable Learning of Non-Markovian Closures for Accelerated Coarse-Grained Physics Simulations
Xue, Tingkai
Ooi, Chin Chun
Ge, Zhengwei
Leong, Fong Yew
Li, Hongying
Kang, Chang Wei
Computational Physics
Machine Learning
Fluid Dynamics
Numerical simulations provide key insights into many physical, real-world problems. However, while these simulations are solved on a full 3D domain, most analysis only require a reduced set of metrics (e.g. plane-level concentrations). This work presents a hybrid physics-neural model that predicts scalar transport in a complex domain orders of magnitude faster than the 3D simulation (from hours to less than 1 min). This end-to-end differentiable framework jointly learns the physical model parameterization (i.e. orthotropic diffusivity) and a non-Markovian neural closure model to capture unresolved, 'coarse-grained' effects, thereby enabling stable, long time horizon rollouts. This proposed model is data-efficient (learning with 26 training data), and can be flexibly extended to an out-of-distribution scenario (with a moving source), achieving a Spearman correlation coefficient of 0.96 at the final simulation time. Overall results show that this differentiable physics-neural framework enables fast, accurate, and generalizable coarse-grained surrogates for physical phenomena.
title Differentiable Physics-Neural Models enable Learning of Non-Markovian Closures for Accelerated Coarse-Grained Physics Simulations
topic Computational Physics
Machine Learning
Fluid Dynamics
url https://arxiv.org/abs/2511.21369