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Generalized Multiscale Finite Element Method for Multicontinuum Coupled Flow and Transport Model

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Lobachevskii Journal of Mathematics 2024年第11期45卷 5343-5356页

作者： Ammosov, D.A. Huang, J. Leung, W.T. Shan, B. Computational Technologies and Artificial Intelligence North-Eastern Federal University Yakutsk 677980 Russian Federation School of Mathematics and Computational Science Xiangtan University National Center for Applied Mathematics in Hunan and Hunan Key Laboratory for Computation and Simulation in Science and Engineering Hunan Xiangtan 411105 China Department of Mathematics City University of Hong Kong Hong Kong Department of Mathematics Texas A & M University College Station 77843 TX United States

Abstract: In this paper, we consider a coupled flow and transport process described by partial differential equations for pressure and concentration. We derive the multicontinuum coupled flow and transport model using the multicontinuum homogenization method. We formulate cell problems with constraints that take into account various homogenized effects. For the resulting multicontinuum model, we develop a multiscale solver based on the Generalized Multiscale Finite Element Method. The combined approach of multicontinuum and multiscale modeling makes it possible to consider complex heterogeneous media with high contrast. We present numerical results for a model problem with two continua and heterogeneous coefficients separable into microscopic and macroscopic parts. The results show the high efficiency of the proposed multiscale approach. © Pleiades Publishing, Ltd. 2024.

关键词： coupled flow and transport generalized multiscale finite element method homogenization miscible displacement multicontinuum

A NEURAL MULTIGRID SOLVER FOR HELMHOLTZ EQUATIONS WITH HIGH WAVENUMBER AND HETEROGENEOUS MEDIA

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arXiv 2024年

作者： Cui, Chen Jiang, Kai Shu, Shi Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

Solving high-wavenumber and heterogeneous Helmholtz equations presents a longstanding challenge in scientific computing. In this paper, we introduce a deep learning-enhanced multigrid solver to address this issue. By conducting error analysis on standard multigrid applied to a discrete Helmholtz equation, we devise a strategy to handle errors with different frequencies separately. For error components with frequencies distant from the wavenumber, we perform simple smoothing based on local operations at different levels to eliminate them. On the other hand, to address error components with frequencies near the wavenumber, we utilize another multigrid V-cycle to solve an advection-diffusion-reaction (ADR) equation at a coarse scale. The resulting solver, named Wave-ADR-NS, involves parameters learned through unsupervised training. Numerical results demonstrate that Wave-ADR-NS effectively resolves heterogeneous 2D Helmholtz equation with wavenumber up to 2000. Comparative experiments against classical multigrid preconditioners and existing deep learning-based multigrid preconditioners reveals the superior performance of *** Codes 65N22, 65N55, 68T07 Copyright © 2024, The Authors. All rights reserved.

关键词： Helmholtz equation

Convergent analysis of algebraic multigrid method with data-driven parameter learning for non-selfadjoint elliptic problems

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arXiv 2024年

作者： Zhang, Juan Luo, Junyue Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education Hunan Key Laboratory for Computation and Simulation in Science and Engineering School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

In this paper, we apply the practical GADI-HS iteration as a smoother in algebraic multigrid (AMG) method for solving second-order non-selfadjoint elliptic problem. Additionally, we prove the convergence of the derived algorithm and introduce a data-driven parameter learing method called Gaussian process regression (GPR) to predict optimal parameters. Numerical experimental results show that using GPR to predict parameters can save a significant amount of time cost and approach the optimal parameters accurately. © 2024, CC BY.

关键词： Algebra

Momentum-Accelerated Richardson(m) and Their Multilevel Neural Solvers

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arXiv 2024年

作者： Wang, Zhen Liu, Yun Cui, Chen Shu, Shi Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

Recently, designing neural solvers for large-scale linear systems of equations has emerged as a promising approach in scientific and engineering computing. This paper first introduce the Richardson(m) neural solver by employing a meta network to predict the weights of the long-step Richardson iterative method. Next, by incorporating momentum and preconditioning techniques, we further enhance convergence. Numerical experiments on anisotropic second-order elliptic equations demonstrate that these new solvers achieve faster convergence and lower computational complexity compared to both the Chebyshev iterative method with optimal weights and the Chebyshev semi-iteration method. To address the strong dependence of the aforementioned single-level neural solvers on PDE parameters and grid size, we integrate them with two multilevel neural solvers developed in recent years. Using alternating optimization techniques, we construct Richardson(m)FNS for anisotropic equations and NAG-Richardson(m)-WANS for the Helmholtz equation. Numerical experiments show that these two multilevel neural solvers effectively overcome the drawback of single-level methods, providing better robustness and computational efficiency. Copyright © 2024, The Authors. All rights reserved.

关键词： Iterative methods

High-accurate and efficient numerical algorithms for the self-consistent field theory of liquid-crystalline polymers

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Computers & Mathematics with Applications 2025年 194卷 31-52页

作者： Zhijuan He Kai Jiang Liwei Tan Xin Wang Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education School of Mathematics and Computational Science Xiangtan University Xiangtan Hunan 411105 China School of Mathematical Sciences Shanghai Jiao Tong University Shanghai 200240 China

Self-consistent field theory (SCFT) is one of the most widely-used frameworks in studying the equilibrium phase behavior of inhomogeneous polymers. For liquid-crystalline polymeric systems, the primary numerical challenges in solving SCFT involve efficiently solving a large number of 6-dimensional (6D, 3D space + 2D orientation + 1D contour) partial differential equations (PDEs), accurately determining subtle energy differences between self-assembled structures, and developing effective iterative methods for nonlinear SCFT iterations. To address these challenges, this work introduces a suite of high-order and efficient numerical methods tailored to SCFT of liquid-crystalline polymers. These methods include various advanced PDE solvers, an improved Anderson iteration algorithm to accelerate SCFT calculations, and an optimization technique for adjusting the computational domain during SCFT iterations. Extensive numerical tests demonstrate the efficiency of the proposed methods. Based on these algorithms, we further explore the self-assembly behavior of liquid-crystalline polymers through 4D, 5D, and 6D simulations, uncovering intricate 3D spatial structures.

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An Efficient Saddle Search Method for Ordered Phase Transitions Involving Translational Invariance

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SSRN

SSRN 2024年

作者： Cui, Gang Jiang, Kai Zhou, Tiejun Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing Ministry of Education School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

In this work, we propose an efficient nullspace-preserving saddle search (NPSS) method for a class of phase transitions involving translational invariance, where the critical states are often degenerate. The NPSS method includes two stages, escaping from the basin and searching for the index-1 generalized saddle point. The NPSS method climbs upward from the generalized local minimum in segments to overcome the challenges of degeneracy. In each segment, an effective ascent direction is ensured by keeping this direction orthogonal to the nullspace of the initial state in this segment. This method can escape the basin quickly and converge to the transition states efficiently. We apply the NPSS method to the phase transitions between crystals, and between crystal and quasicrystal, based on the Landau-Brazovskii and Lifshitz-Petrich free energy functionals. Numerical results show a good performance of the NPSS method. © 2024, The Authors. All rights reserved.

关键词： Free energy

Conservative nonconforming virtual element method for stationary incompressible magnetohydrodynamics

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arXiv 2024年

作者： Dong, Xiaojing Huang, Yunqing Wang, Tianwen Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing & Information Processing of Ministry of Education School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

In this paper, we propose a conservative nonconforming virtual element method for the full stationary incompressible magnetohydrodynamics model. We leverage the virtual element satisfactory divergence-free property to ensure mass conservation for the velocity field. The condition of the well-posedness of the proposed method, as well as the stability are derived. We establish optimal error estimates in the discrete energy norm for both the velocity and magnetic field. Furthermore, by employing a new technique, we obtain the optimal error estimates in L2-norm without any additional conditions. Finally, numerical experiments are presented to validate the theoretical analysis. In the implementation process, we adopt the effective Oseen iteration to handle the nonlinear system. © 2024, CC BY-NC-ND.

关键词： Magnetohydrodynamics

A spring pair method of finding saddle points using the minimum energy path as a compass

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arXiv 2024年

作者： Cui, Gang Jiang, Kai Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing Ministry of Education School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

Finding index-1 saddle points is crucial for understanding phase transitions. In this work, we propose a simple yet efficient approach, the spring pair method (SPM), to accurately locate saddle points. Without requiring Hessian information, SPM evolves a single pair of spring-coupled particles on the potential energy surface. By cleverly designing complementary drifting and climbing dynamics based on gradient decomposition, the spring pair converges onto the minimum energy path (MEP) and spontaneously aligns its orientation with the MEP tangent, providing a reliable ascent direction for efficient convergence to saddle points. SPM fundamentally differs from traditional surface walking methods, which rely on the eigenvectors of Hessian that may deviate from the MEP tangent, potentially leading to convergence failure or undesired saddle points. The efficiency of SPM for finding saddle points is verified by ample examples, including high-dimensional Lennard-Jones cluster rearrangement and the Landau energy functional involving quasicrystal phase *** Codes 82B26 Copyright © 2024, The Authors. All rights reserved.

关键词： Quantum chemistry

A Hybrid Iterative Neural Solver Based on Spectral Analysis for Parametric PDEs

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arXiv 2024年

作者： Cui, Chen Jiang, Kai Liu, Yun Shu, Shi Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

Recently, deep learning-based hybrid iterative methods (DL-HIM) have emerged as a promising approach for designing fast neural solvers to tackle large-scale sparse linear systems. DL-HIM combine the smoothing effect of simple iterative methods with the spectral bias of neural networks, which allows them to effectively eliminate both high-frequency and low-frequency error components. However, their efficiency may decrease if simple iterative methods can not provide effective smoothing, making it difficult for the neural network to learn mid-frequency and high-frequency components. This paper first conducts a convergence analysis for general DL-HIM from a spectral viewpoint, concluding that under reasonable assumptions, DL-HIM exhibit a convergence rate independent of grid size h and physical parameters µ. To meet these assumptions, we design a neural network from an eigen perspective, focusing on learning the eigenvalues and eigenvectors corresponding to error components that simple iterative methods struggle to eliminate. Specifically, the eigenvalues are learned by a meta subnet, while the eigenvectors are approximated using Fourier modes with a transition matrix provided by another meta subnet. The resulting DL-HIM, termed the Fourier Neural Solver (FNS), can be trained to achieve a convergence rate independent of grid size and PDE parameters by designing a loss function that ensures the neural network complements the smoothing effect of Jacobi iterative methods. We verify the performance of FNS on six types of linear parametric *** Codes 65F10, 65F08, 68T07, 65N22, 90C06 Copyright © 2024, The Authors. All rights reserved.

关键词： Eigenvalues and eigenfunctions