Learning and predicting dynamics of compositional multiphase mixtures using Graph Neural Networks

IF 3.8 2区 物理与天体物理 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Journal of Computational Physics Pub Date : 2025-02-18 DOI:10.1016/j.jcp.2025.113851
Duc Thach Son Vu, Tan M. Nguyen, Weiqing Ren
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Abstract

In this paper, we investigate the time evolution of compositional multiphase flows in porous media using Graph Neural Networks (GNN). A recent approach to this problem is the unified formulation introduced by Lauser et al. (2011) [2], which incorporates the complementarity conditions. The advantage of this formulation is its ability to automatically handle the appearance and disappearance of phases. To solve the system of equations numerically, Ben Gharbia and Flauraud (2019) [13] employed the Newton-min method. More recently, Vu et al. (2021) [14] proposed a new strategy called NPIPM (NonParametric Interior-Point Method). However, these existing methods still face challenges, particularly with convergence when using large time steps during iterations. Inspired by the relationships between a cell and its neighborhood cells in the mesh when applying the finite volume method (FVM) to solve the problem, we recognize that these connections can be represented as a graph of nodes and edges in a Graph Neural Network. This GNN approach provides a promising framework for predicting long-term phenomena in porous media flows, especially when integrated into a hybrid algorithm along with other numerical solvers.
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本文利用图神经网络(GNN)研究多孔介质中成分多相流的时间演化。解决这一问题的最新方法是 Lauser 等人(2011 年)[2] 提出的统一公式,其中包含互补条件。这种公式的优势在于能够自动处理相位的出现和消失。为了对方程组进行数值求解,Ben Gharbia 和 Flauraud (2019) [13] 采用了牛顿-最小法。最近,Vu 等人(2021 年)[14] 提出了一种名为 NPIPM(非参数内部点法)的新策略。然而,这些现有方法仍面临挑战,尤其是在迭代过程中使用较大时间步长时的收敛性问题。在应用有限体积法(FVM)解决问题时,受网格中单元与其邻近单元之间关系的启发,我们认识到这些连接可以用图形神经网络中的节点和边图来表示。这种图神经网络方法为预测多孔介质流动中的长期现象提供了一个前景广阔的框架,尤其是在与其他数值求解器一起集成到混合算法中时。
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来源期刊
Journal of Computational Physics
Journal of Computational Physics 物理-计算机:跨学科应用
CiteScore
7.60
自引率
14.60%
发文量
763
审稿时长
5.8 months
期刊介绍: Journal of Computational Physics thoroughly treats the computational aspects of physical problems, presenting techniques for the numerical solution of mathematical equations arising in all areas of physics. The journal seeks to emphasize methods that cross disciplinary boundaries. The Journal of Computational Physics also publishes short notes of 4 pages or less (including figures, tables, and references but excluding title pages). Letters to the Editor commenting on articles already published in this Journal will also be considered. Neither notes nor letters should have an abstract.
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