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Energetic Variational Neural Network Discretizations of Gradient Flows 梯度流的能量变异神经网络离散化
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-08-05 DOI: 10.1137/22m1529427
Ziqing Hu, Chun Liu, Yiwei Wang, Zhiliang Xu
SIAM Journal on Scientific Computing, Volume 46, Issue 4, Page A2528-A2556, August 2024.
Abstract. We present a structure-preserving Eulerian algorithm for solving [math]-gradient flows and a structure-preserving Lagrangian algorithm for solving generalized diffusions. Both algorithms employ neural networks as tools for spatial discretization. Unlike most existing methods that construct numerical discretizations based on the strong or weak form of the underlying PDE, the proposed schemes are constructed based on the energy-dissipation law directly. This guarantees the monotonic decay of the system’s free energy, which avoids unphysical states of solutions and is crucial for the long-term stability of numerical computations. To address challenges arising from nonlinear neural network discretization, we perform temporal discretizations on these variational systems before spatial discretizations. This approach is computationally memory-efficient when implementing neural network-based algorithms. The proposed neural network-based schemes are mesh-free, allowing us to solve gradient flows in high dimensions. Various numerical experiments are presented to demonstrate the accuracy and energy stability of the proposed numerical schemes.
SIAM 科学计算期刊》,第 46 卷第 4 期,第 A2528-A2556 页,2024 年 8 月。 摘要。我们提出了一种求解[数学]梯度流的结构保留欧拉算法和一种求解广义扩散的结构保留拉格朗日算法。这两种算法都采用神经网络作为空间离散化工具。与大多数根据底层 PDE 的强或弱形式构建数值离散的现有方法不同,所提出的方案是直接根据能量消耗定律构建的。这保证了系统自由能的单调衰减,避免了解的非物理状态,对数值计算的长期稳定性至关重要。为了应对非线性神经网络离散化带来的挑战,我们在空间离散化之前对这些变分系统进行了时间离散化。在实施基于神经网络的算法时,这种方法具有计算记忆效率。所提出的基于神经网络的方案是无网格的,使我们能够解决高维度的梯度流问题。各种数值实验证明了所提数值方案的准确性和能量稳定性。
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引用次数: 0
An Alternating Flux Learning Method for Multidimensional Nonlinear Conservation Laws 多维非线性守恒定律的交替通量学习法
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-08-01 DOI: 10.1137/23m1556605
Qing Li, Steinar Evje
SIAM Journal on Scientific Computing, Volume 46, Issue 4, Page C421-C447, August 2024.
Abstract. In a recent work [Q. Li and S. Evje, Netw. Heterog. Media, 18 (2023), pp. 48–79], it was explored how to identify the unknown flux function in a one-dimensional scalar conservation law. Key ingredients are symbolic neural networks to represent the candidate flux functions, entropy-satisfying numerical schemes, and a proper combination of initial data. The purpose of this work is to extend this methodology to a two-dimensional scalar conservation law ([math]) [math]. Straightforward extension of the method from the 1D to the 2D problem results in poor identification of the unknown [math] and [math]. Relying on ideas from joint and alternating equations training, a learning strategy is designed that enables accurate identification of the flux functions, even when 2D observations are sparse. It involves an alternating flux training approach where a first set of candidate flux functions obtained from joint training is improved through an alternating direction-dependent training strategy. Numerical investigations demonstrate that the method can effectively identify the true underlying flux functions [math] and [math] in the general case when they are nonconvex and unequal.
SIAM 科学计算期刊》,第 46 卷第 4 期,第 C421-C447 页,2024 年 8 月。 摘要最近的一项研究 [Q. Li and S. Evje, Netw. Heterog. Media, 18 (2023), pp.其中的关键要素是表示候选通量函数的符号神经网络、满足熵的数值方案以及初始数据的适当组合。这项工作的目的是将这一方法扩展到二维标量守恒定律([math])[math]。将该方法从一维问题直接扩展到二维问题会导致对未知数[math]和[math]的识别不清。根据联合方程和交替方程训练的思想,我们设计了一种学习策略,即使在二维观测数据稀少的情况下,也能准确识别通量函数。它涉及一种交替通量训练方法,即通过交替方向相关训练策略改进从联合训练中获得的第一组候选通量函数。数值研究表明,在通量函数[math]和[math]非凸且不相等的一般情况下,该方法可以有效地识别真正的基本通量函数[math]和[math]。
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引用次数: 0
Graph Neural Reaction Diffusion Models 图形神经反应扩散模型
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-08-01 DOI: 10.1137/23m1576700
Moshe Eliasof, Eldad Haber, Eran Treister
SIAM Journal on Scientific Computing, Volume 46, Issue 4, Page C399-C420, August 2024.
Abstract. The integration of graph neural networks (GNNs) and neural ordinary and partial differential equations has been extensively studied in recent years. GNN architectures powered by neural differential equations allow us to reason about their behavior, and develop GNNs with desired properties such as controlled smoothing or energy conservation. In this paper we take inspiration from Turing instabilities in a reaction diffusion (RD) system of partial differential equations, and propose a novel family of GNNs based on neural RD systems, called RDGNN. We show that our RDGNN is powerful for the modeling of various data types, from homophilic, to heterophilic, and spatiotemporal datasets. We discuss the theoretical properties of our RDGNN, its implementation, and show that it improves or offers competitive performance to state-of-the-art methods.
SIAM 科学计算期刊》,第 46 卷第 4 期,第 C399-C420 页,2024 年 8 月。 摘要近年来,人们广泛研究了图神经网络(GNN)与神经常微分方程和偏微分方程的整合。由神经微分方程驱动的图神经网络架构允许我们对其行为进行推理,并开发出具有可控平滑或能量守恒等理想特性的图神经网络。在本文中,我们从偏微分方程反应扩散(RD)系统中的图灵不稳定性中获得灵感,提出了一种基于神经 RD 系统的新型 GNN,称为 RDGNN。我们的研究表明,我们的 RDGNN 对各种数据类型(从同嗜、异嗜到时空数据集)的建模都非常强大。我们讨论了我们的 RDGNN 的理论特性及其实现,并证明它能改善最先进方法的性能或提供具有竞争力的性能。
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引用次数: 0
A Semi-Implicit Fully Exactly Well-Balanced Relaxation Scheme for the Shallow Water System 浅水系统的半隐式完全精确均衡松弛方案
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-07-31 DOI: 10.1137/23m1621289
Celia Caballero-Cárdenas, Manuel Jesús Castro, Christophe Chalons, Tomás Morales de Luna, María Luz Muñoz-Ruiz
SIAM Journal on Scientific Computing, Volume 46, Issue 4, Page A2503-A2527, August 2024.
Abstract. This article focuses on the design of semi-implicit schemes that are fully well-balanced for the one-dimensional shallow water equations, that is, schemes that preserve all smooth steady states of the system and not just water-at-rest equilibria. The proposed methods outperform standard explicit schemes in the low-Froude regime, where the celerity is much larger than the fluid velocity, eliminating the need for a large number of iterations on large time intervals. In this work, splitting and relaxation techniques are combined in order to obtain fully well-balanced semi-implicit first and second order schemes. In contrast to recent Lagrangian-based approaches, this one allows the preservation of all the steady states while avoiding the complexities associated with Lagrangian formalism.
SIAM 科学计算期刊》,第 46 卷第 4 期,第 A2503-A2527 页,2024 年 8 月。 摘要本文主要研究一维浅水方程的完全平衡半隐式方案设计,即保留系统的所有平稳状态而不仅仅是水静止平衡状态的方案。在流速远大于流体速度的低弗罗德系统中,所提出的方法优于标准显式方案,从而无需在大时间间隔内进行大量迭代。在这项工作中,为了获得完全平衡的半隐式一阶和二阶方案,我们结合了分裂和松弛技术。与最新的基于拉格朗日的方法相比,这种方法可以保留所有稳态,同时避免与拉格朗日形式主义相关的复杂性。
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引用次数: 0
Solving Poisson Problems in Polygonal Domains with Singularity Enriched Physics Informed Neural Networks 用奇异性丰富物理信息神经网络解决多边形域中的泊松问题
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-07-30 DOI: 10.1137/23m1601195
Tianhao Hu, Bangti Jin, Zhi Zhou
SIAM Journal on Scientific Computing, Volume 46, Issue 4, Page C369-C398, August 2024.
Abstract. Physics-informed neural networks (PINNs) are a powerful class of numerical solvers for partial differential equations, employing deep neural networks with successful applications across a diverse set of problems. However, their effectiveness is somewhat diminished when addressing issues involving singularities, such as point sources or geometric irregularities, where the approximations they provide often suffer from reduced accuracy due to the limited regularity of the exact solution. In this work, we investigate PINNs for solving Poisson equations in polygonal domains with geometric singularities and mixed boundary conditions. We propose a novel singularity enriched PINN, by explicitly incorporating the singularity behavior of the analytic solution, e.g., corner singularity, mixed boundary condition, and edge singularities, into the ansatz space, and present a convergence analysis of the scheme. We present extensive numerical simulations in two and three dimensions to illustrate the efficiency of the method, and also a comparative study with several existing neural network based approaches. Reproducibility of computational results. This paper has been awarded the “SIAM Reproducibility Badge: Code and data available” as a recognition that the authors have followed reproducibility principles valued by SISC and the scientific computing community. Code and data that allow readers to reproduce the results in this paper are available at https://github.com/hhjc-web/SEPINN.git and in the supplementary materials (M160119_SuppMat.pdf [399KB]).
SIAM 科学计算期刊》,第 46 卷第 4 期,第 C369-C398 页,2024 年 8 月。 摘要物理信息神经网络(PINNs)是一类功能强大的偏微分方程数值求解器,它采用深度神经网络,成功应用于各种问题。然而,在处理涉及奇点(如点源或几何不规则性)的问题时,其有效性会有所减弱,因为在这种情况下,由于精确解的规则性有限,其提供的近似值往往会降低精度。在这项工作中,我们研究了 PINNs 如何求解具有几何奇点和混合边界条件的多边形域中的泊松方程。通过将解析解的奇点行为(如角奇点、混合边界条件和边缘奇点)明确纳入解析空间,我们提出了一种新颖的奇点丰富 PINN,并对该方案进行了收敛性分析。我们进行了大量二维和三维数值模拟,以说明该方法的效率,并与现有的几种基于神经网络的方法进行了比较研究。计算结果的可重复性。本文被授予 "SIAM 可重现徽章":代码和数据可用",以表彰作者遵循了 SISC 和科学计算界重视的可重现性原则。读者可在 https://github.com/hhjc-web/SEPINN.git 和补充材料 (M160119_SuppMat.pdf [399KB]) 中获取代码和数据,以便重现本文中的结果。
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引用次数: 0
Multilevel Particle Filters for a Class of Partially Observed Piecewise Deterministic Markov Processes 针对一类部分观测的片断确定性马尔可夫过程的多级粒子过滤器
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-07-26 DOI: 10.1137/23m1600505
Ajay Jasra, Kengo Kamatani, Mohamed Maama
SIAM Journal on Scientific Computing, Volume 46, Issue 4, Page A2475-A2502, August 2024.
Abstract. In this paper we consider the filtering of a class of partially observed piecewise deterministic Markov processes. In particular, we assume that an ordinary differential equation (ODE) drives the deterministic element and can only be solved numerically via a time discretization. We develop, based upon the approach in Lemaire, Thieullen, and Thomas [Adv. Appl. Probab., 52 (2020), pp. 138–172], a new particle and multilevel particle filter (MLPF) in order to approximate the filter associated to the discretized ODE. We provide a bound on the mean square error associated to the MLPF which provides guidance on setting the simulation parameters of the algorithm and implies that significant computational gains can be obtained versus using a particle filter. Our theoretical claims are confirmed in several numerical examples.
SIAM 科学计算期刊》,第 46 卷第 4 期,第 A2475-A2502 页,2024 年 8 月。 摘要本文考虑了一类部分观测的片断确定性马尔可夫过程的滤波问题。特别是,我们假设一个常微分方程(ODE)驱动着确定性元素,并且只能通过时间离散化进行数值求解。我们根据 Lemaire、Thieullen 和 Thomas [Adv. Appl. Probab.,52 (2020),pp. 138-172] 中的方法,开发了一种新的粒子和多级粒子滤波器 (MLPF),以近似与离散化 ODE 相关的滤波器。我们提供了与 MLPF 相关的均方误差约束,这为算法模拟参数的设置提供了指导,并意味着与使用粒子滤波器相比,可以获得显著的计算收益。我们的理论主张在几个数值示例中得到了证实。
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引用次数: 0
Domain Decomposition Learning Methods for Solving Elliptic Problems 解决椭圆问题的领域分解学习方法
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-07-23 DOI: 10.1137/22m1515392
Qi Sun, Xuejun Xu, Haotian Yi
SIAM Journal on Scientific Computing, Volume 46, Issue 4, Page A2445-A2474, August 2024.
Abstract. With the aid of hardware and software developments, there has been a surge of interest in solving PDEs by deep learning techniques, and the integration with domain decomposition strategies has recently attracted considerable attention due to its enhanced representation and parallelization capacity of the network solution. While there are already several works that substitute the numerical solver of overlapping Schwarz methods with the deep learning approach, the nonoverlapping counterpart has not been thoroughly studied yet because of the inevitable interface overfitting problem that would propagate the errors to neighboring subdomains and eventually hamper the convergence of outer iteration. In this work, a novel learning approach, i.e., the compensated deep Ritz method using neural network extension operators, is proposed to enable the flux transmission across subregion interfaces with guaranteed accuracy, thereby allowing us to construct effective learning algorithms for realizing the more general nonoverlapping domain decomposition methods in the presence of overfitted interface conditions. Numerical experiments on a series of elliptic boundary value problems, including the regular and irregular interfaces, low and high dimensions, and smooth and high-contrast coefficients on multidomains, are carried out to validate the effectiveness of our proposed domain decomposition learning algorithms. Reproducibility of computational results. This paper has been awarded the “SIAM Reproducibility Badge: Code and data available" as a recognition that the authors have followed reproducibility principles valued by SISC and the scientific computing community. Code and data that allow readers to reproduce the results in this paper are available in https://github.com/AI4SC-TJU or in the supplementary materials.
SIAM 科学计算期刊》,第 46 卷第 4 期,第 A2445-A2474 页,2024 年 8 月。 摘要随着硬件和软件的发展,人们对利用深度学习技术求解PDE的兴趣日益高涨,而与领域分解策略的结合因其增强了网络求解的代表性和并行化能力而在最近引起了广泛关注。虽然已经有几项研究用深度学习方法替代了重叠施瓦茨方法的数值求解器,但由于不可避免的界面过拟合问题会将误差传播到相邻子域,并最终阻碍外层迭代的收敛,因此非重叠的对应方法尚未得到深入研究。在这项工作中,我们提出了一种新颖的学习方法,即使用神经网络扩展算子的补偿深度里兹法,它能在保证精度的前提下实现跨子域界面的流量传输,从而使我们能够构建有效的学习算法,在存在界面过拟合的条件下实现更通用的非重叠域分解方法。我们对一系列椭圆边界值问题进行了数值实验,包括规则和不规则界面、低维和高维、多域上的平滑系数和高对比度系数,以验证我们提出的域分解学习算法的有效性。计算结果的可重复性。本文被授予 "SIAM 可重现徽章":代码和数据可用",以表彰作者遵循了 SISC 和科学计算界重视的可重现性原则。允许读者重现本文结果的代码和数据可在 https://github.com/AI4SC-TJU 或补充材料中获取。
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引用次数: 0
A Full Approximation Scheme Multilevel Method for Nonlinear Variational Inequalities 非线性变分不等式的全逼近方案多层次方法
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-07-23 DOI: 10.1137/23m1594200
Ed Bueler, Patrick E. Farrell
SIAM Journal on Scientific Computing, Volume 46, Issue 4, Page A2421-A2444, August 2024.
Abstract. We present the full approximation scheme constraint decomposition (FASCD) multilevel method for solving variational inequalities (VIs). FASCD is a joint extension of both the full approximation scheme multigrid technique for nonlinear partial differential equations, due to A. Brandt, and the constraint decomposition (CD) method introduced by X.-C. Tai for VIs arising in optimization. We extend the CD idea by exploiting the telescoping nature of certain subset decompositions arising from multilevel mesh hierarchies. When a reduced-space (active set) Newton method is applied as a smoother, with work proportional to the number of unknowns on a given mesh level, FASCD V-cycles exhibit nearly mesh-independent convergence rates. The full multigrid cycle version is an optimal solver. The example problems include differential operators which are symmetric linear, nonsymmetric linear, and nonlinear, in unilateral and bilateral VI problems. Reproducibility of computational results. This paper has been awarded the “SIAM Reproducibility Badge: code and data available” as a recognition that the authors have followed reproducibility principles valued by SISC and the scientific computing community. Code and data that allow readers to reproduce the results in this paper are available at https://bitbucket.org/pefarrell/fascd/, where the software used to produce the results in section 8 is archived at tag v1.0, and at https://doi.org/10.5281/zenodo.10476845 or in the supplementary materials (pefarrell-fascd-6407e9f547d6.zip [225KB]). The authors used Firedrake master revision c5e939dde.
SIAM 科学计算期刊》,第 46 卷第 4 期,第 A2421-A2444 页,2024 年 8 月。 摘要我们提出了求解变分不等式(VIs)的全近似方案约束分解(FASCD)多层次方法。FASCD 是 A. Brandt 提出的非线性偏微分方程全近似方案多网格技术和 X.-C. Tai 提出的约束分解 (CD) 方法的联合扩展。Tai 针对优化中出现的 VIs 提出的约束分解(CD)方法。我们利用多级网格分层产生的某些子集分解的伸缩性,扩展了 CD 的思想。当应用缩减空间(活动集)牛顿方法作为平滑器时,其功与给定网格层次上的未知数数量成正比,FASCD V 循环表现出几乎与网格无关的收敛速度。全多网格循环版本是一种最佳求解器。示例问题包括单边和双边 VI 问题中的对称线性、非对称线性和非线性微分算子。计算结果的可重复性。本文被授予 "SIAM 可重复性徽章:可用代码和数据",以表彰作者遵循了 SISC 和科学计算界重视的可重复性原则。读者可通过以下网址获取代码和数据以重现本文结果:https://bitbucket.org/pefarrell/fascd/,其中用于生成第8节结果的软件以标签v1.0存档;https://doi.org/10.5281/zenodo.10476845,或在补充材料(pefarrell-fascd-6407e9f547d6.zip [225KB])中获取。作者使用的是 Firedrake 主修订版 c5e939dde。
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引用次数: 0
Computing [math]-Conforming Finite Element Approximations Without Having to Implement [math]-Elements 无需执行[数学]元素即可计算[数学]符合有限元近似值
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-07-22 DOI: 10.1137/23m1615486
Mark Ainsworth, Charles Parker
SIAM Journal on Scientific Computing, Volume 46, Issue 4, Page A2398-A2420, August 2024.
Abstract. We develop a method to compute the [math]-conforming finite element approximation to planar fourth order elliptic problems without having to implement [math] elements. The algorithm consists of replacing the original [math]-conforming scheme with preprocessing and postprocessing steps that require only an [math]-conforming Poisson type solve and an inner Stokes-like problem that again only requires at most [math]-conformity. We then demonstrate the method applied to the Morgan–Scott elements with three numerical examples. Reproducibility of computational results. This paper has been awarded the “SIAM Reproducibility Badge: Code and data available” as a recognition that the authors have followed reproducibility principles valued by SISC and the scientific computing community. Code and data that allow readers to reproduce the results in this paper are available at https://doi.org/10.5281/zenodo.10070565.
SIAM 科学计算期刊》,第 46 卷第 4 期,第 A2398-A2420 页,2024 年 8 月。 摘要。我们开发了一种计算平面四阶椭圆问题的[math]拟合有限元近似的方法,而无需实现[math]元素。该算法包括用只需要[math]-conform Poisson 类型求解的预处理和后处理步骤取代原始的[math]-conform 方案,以及只需要最多[math]-conformity 的内斯托克斯问题。然后,我们通过三个数值示例演示了该方法在摩根-斯科特元素中的应用。计算结果的可重复性。本文被授予 "SIAM 可重现徽章":代码和数据可用",以表彰作者遵循了 SISC 和科学计算界重视的可重现性原则。读者可通过 https://doi.org/10.5281/zenodo.10070565 获取代码和数据,以重现本文中的结果。
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引用次数: 0
Super-Localized Orthogonal Decomposition for High-Frequency Helmholtz Problems 高频亥姆霍兹问题的超定位正交分解
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-07-18 DOI: 10.1137/21m1465950
Philip Freese, Moritz Hauck, Daniel Peterseim
SIAM Journal on Scientific Computing, Volume 46, Issue 4, Page A2377-A2397, August 2024.
Abstract. We propose a novel variant of the Localized Orthogonal Decomposition (LOD) method for time-harmonic scattering problems of Helmholtz type with high wavenumber [math]. On a coarse mesh of width [math], the proposed method identifies local finite element source terms that yield rapidly decaying responses under the solution operator. They can be constructed to high accuracy from independent local snapshot solutions on patches of width [math] and are used as problem-adapted basis functions in the method. In contrast to the classical LOD and other state-of-the-art multiscale methods, two- and three-dimensional numerical computations show that the localization error decays super-exponentially as the oversampling parameter [math] is increased. This suggests that optimal convergence is observed under the substantially relaxed oversampling condition [math] with [math] denoting the spatial dimension. Numerical experiments demonstrate the significantly improved offline and online performance of the method also in the case of heterogeneous media and perfectly matched layers.
SIAM 科学计算期刊》,第 46 卷第 4 期,第 A2377-A2397 页,2024 年 8 月。 摘要我们提出了一种局部正交分解(LOD)方法的新变体,用于处理高波数[math]的亥姆霍兹型时谐散射问题。在宽度为[math]的粗网格上,所提出的方法可以识别局部有限元源项,这些源项在求解算子下产生快速衰减的响应。这些源项可以从宽度[数学]补丁上的独立局部快照解中高精度地构建出来,并在该方法中用作问题适配基函数。与经典 LOD 和其他最先进的多尺度方法不同,二维和三维数值计算表明,随着过采样参数[数学]的增加,定位误差呈超指数衰减。这表明,在大幅放宽的超采样条件 [math] ([math] 表示空间维度)下,可以观察到最佳收敛性。数值实验证明,在异质介质和完全匹配层的情况下,该方法的离线和在线性能也有显著提高。
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引用次数: 0
期刊
SIAM Journal on Scientific Computing
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