Active learning of data-assimilation closures using graph neural networks

IF 2.2 3区 工程技术 Q2 MECHANICS Theoretical and Computational Fluid Dynamics Pub Date : 2025-01-14 DOI:10.1007/s00162-025-00737-1
Michele Quattromini, Michele Alessandro Bucci, Stefania Cherubini, Onofrio Semeraro
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Abstract

The spread of machine learning techniques coupled with the availability of high-quality experimental and numerical data has significantly advanced numerous applications in fluid mechanics. Notable among these are the development of data assimilation and closure models for unsteady and turbulent flows employing neural networks (NN). Despite their widespread use, these methods often suffer from overfitting and typically require extensive datasets, particularly when not incorporating physical constraints. This becomes compelling in the context of numerical simulations, where, given the high computational costs, it is crucial to establish learning procedures that are effective even with a limited dataset. Here, we tackle those limitations by developing NN models capable of generalizing over unseen data in low-data limit by: (i) incorporating invariances into the NN model using a Graph Neural Networks (GNNs) architecture; and (ii) devising an adaptive strategy for the selection of the data utilized in the learning process. GNNs are particularly well-suited for numerical simulations involving unstructured domain discretization and we demonstrate their use by interfacing them with a Finite Elements (FEM) solver for the supervised learning of Reynolds-averaged Navier–Stokes equations. We consider as a test-case the data-assimilation of meanflows past generic bluff bodies, at different Reynolds numbers \(50 \le Re \le 150\), characterized by an unsteady dynamics. We show that the GNN models successfully predict the closure term; remarkably, these performances are achieved using a very limited dataset selected through an active learning process ensuring the generalization properties of the RANS closure term. The results suggest that GNN models trained through active learning procedures are a valid alternative to less flexible techniques such as convolutional NN.

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基于图神经网络的数据同化闭包主动学习
机器学习技术的普及,加上高质量实验和数值数据的可用性,极大地推进了流体力学中的许多应用。其中值得注意的是采用神经网络(NN)的非定常和湍流的数据同化和闭合模型的发展。尽管这些方法被广泛使用,但它们往往存在过拟合的问题,并且通常需要大量的数据集,特别是在不考虑物理限制的情况下。这在数值模拟的背景下变得引人注目,其中,考虑到高计算成本,建立即使在有限的数据集上也有效的学习过程至关重要。在这里,我们通过开发能够在低数据限制下对不可见数据进行泛化的神经网络模型来解决这些限制:(i)使用图神经网络(GNNs)架构将不变性纳入神经网络模型;(ii)设计一种自适应策略,用于选择学习过程中使用的数据。gnn特别适合于涉及非结构化域离散化的数值模拟,我们通过将它们与用于雷诺平均Navier-Stokes方程监督学习的有限元求解器相结合来演示它们的使用。我们考虑作为一个测试案例的平均流的数据同化通过一般钝体,在不同的雷诺数\(50 \le Re \le 150\),其特点是一个非定常动力学。我们证明了GNN模型成功地预测了闭合项;值得注意的是,这些性能是使用通过主动学习过程选择的非常有限的数据集实现的,确保了RANS闭包项的泛化特性。结果表明,通过主动学习过程训练的GNN模型是卷积神经网络等不太灵活的技术的有效替代方案。
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来源期刊
CiteScore
5.80
自引率
2.90%
发文量
38
审稿时长
>12 weeks
期刊介绍: Theoretical and Computational Fluid Dynamics provides a forum for the cross fertilization of ideas, tools and techniques across all disciplines in which fluid flow plays a role. The focus is on aspects of fluid dynamics where theory and computation are used to provide insights and data upon which solid physical understanding is revealed. We seek research papers, invited review articles, brief communications, letters and comments addressing flow phenomena of relevance to aeronautical, geophysical, environmental, material, mechanical and life sciences. Papers of a purely algorithmic, experimental or engineering application nature, and papers without significant new physical insights, are outside the scope of this journal. For computational work, authors are responsible for ensuring that any artifacts of discretization and/or implementation are sufficiently controlled such that the numerical results unambiguously support the conclusions drawn. Where appropriate, and to the extent possible, such papers should either include or reference supporting documentation in the form of verification and validation studies.
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