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Efficient Preconditioners for Solving Dynamical Optimal Transport via Interior Point Methods 通过内点法求解动态优化传输的高效预处理器
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-05-02 DOI: 10.1137/23m1570430
Enrico Facca, Gabriele Todeschi, Andrea Natale, Michele Benzi
SIAM Journal on Scientific Computing, Volume 46, Issue 3, Page A1397-A1422, June 2024.
Abstract. In this paper, we address the numerical solution of the quadratic optimal transport problem in its dynamical form, the so-called Benamou-Brenier formulation. When solved using interior point methods, the main computational bottleneck is the solution of large saddle point linear systems arising from the associated Newton-Raphson scheme. The main purpose of this paper is to design efficient preconditioners to solve these linear systems via iterative methods. Among the proposed preconditioners, we introduce one based on the partial commutation of the operators that compose the dual Schur complement of these saddle point linear systems, which we refer to as the [math]-preconditioner. A series of numerical tests show that the [math]-preconditioner is the most efficient among those presented, despite a performance deterioration in the last steps of the interior point method. It is in fact the only one having a CPU time that scales only slightly worse than linearly with respect to the number of unknowns used to discretize the problem.
SIAM 科学计算期刊》,第 46 卷第 3 期,第 A1397-A1422 页,2024 年 6 月。 摘要本文以动态形式,即所谓的 Benamou-Brenier 公式,讨论二次优化运输问题的数值求解。使用内点法求解时,主要的计算瓶颈是求解相关牛顿-拉斐森方案所产生的大型鞍点线性系统。本文的主要目的是设计高效的前置条件器,通过迭代法求解这些线性系统。在提出的预处理中,我们引入了一种基于组成这些鞍点线性系统的对偶舒尔补码的算子的部分换向的预处理,我们称之为 [math] 预处理。一系列数值测试表明,[math]-preconditioner 是所介绍的方法中最有效的,尽管在内部点法的最后几步性能有所下降。事实上,它是唯一一个 CPU 时间与问题离散化所用未知数数量的线性关系仅略微差一点的预处理器。
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引用次数: 0
Algebraic Multigrid Methods for Metric-Perturbed Coupled Problems 针对度量扰动耦合问题的代数多网格方法
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-05-02 DOI: 10.1137/23m1572076
Ana Budiša, Xiaozhe Hu, Miroslav Kuchta, Kent-Andre Mardal, Ludmil Zikatanov
SIAM Journal on Scientific Computing, Volume 46, Issue 3, Page A1461-A1486, June 2024.
Abstract. We develop multilevel methods for interface-driven multiphysics problems that can be coupled across dimensions and where complexity and strength of the interface coupling deteriorates the performance of standard methods. We focus on aggregation-based algebraic multigrid methods with custom smoothers that preserve the coupling information on each coarse level. We prove that, with the proper choice of subspace splitting, we obtain uniform convergence in discretization and physical parameters in the two-level setting. Additionally, we show parameter robustness and scalability with regard to the number of the degrees of freedom of the system on several numerical examples related to the biophysical processes in the brain, namely, the electric signaling in excitable tissue modeled by bidomain, the extracellular-membrane-intracellular (EMI) model, and reduced EMI equations. 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/anabudisa/metric-amg-examples and in the supplementary materials (metric-amg-examples-master.zip [30KB]).
SIAM 科学计算期刊》,第 46 卷第 3 期,第 A1461-A1486 页,2024 年 6 月。摘要。我们为界面驱动的多物理场问题开发了多层次方法,这些问题可以跨维度耦合,而界面耦合的复杂性和强度会降低标准方法的性能。我们的重点是基于聚合的代数多网格方法,该方法带有自定义平滑器,可保留每个粗级别上的耦合信息。我们证明,通过适当选择子空间分割,我们可以在两级设置中获得离散化和物理参数的均匀收敛。此外,我们还通过几个与大脑生物物理过程有关的数值示例,即双域模型、细胞外-膜-细胞内(EMI)模型和简化的 EMI 方程,展示了参数的鲁棒性和系统自由度数量的可扩展性。计算结果的可重复性。本文被授予 "SIAM 可重复性徽章":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/anabudisa/metric-amg-examples 和补充材料(metric-amg-examples-master.zip [30KB])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
A Parallel Rank-Adaptive Integrator for Dynamical Low-Rank Approximation 用于动态低方根逼近的并行等级自适应积分器
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-05-02 DOI: 10.1137/23m1565103
Gianluca Ceruti, Jonas Kusch, Christian Lubich
SIAM Journal on Scientific Computing, Volume 46, Issue 3, Page B205-B228, June 2024.
Abstract. This work introduces a parallel and rank-adaptive matrix integrator for dynamical low-rank approximation. The method is related to the previously proposed rank-adaptive basis update and Galerkin (BUG) integrator but differs significantly in that all arising differential equations, both for the basis and the Galerkin coefficients, are solved in parallel. Moreover, this approach eliminates the need for a potentially costly coefficient update with augmented basis matrices. The integrator also incorporates a new step rejection strategy that enhances the robustness of both the parallel integrator and the BUG integrator. By construction, the parallel integrator inherits the robust error bound of the BUG and projector-splitting integrators. Comparisons of the parallel and BUG integrators are presented by a series of numerical experiments which demonstrate the efficiency of the proposed method, for problems from radiative transfer and radiation therapy.
SIAM 科学计算期刊》,第 46 卷第 3 期,第 B205-B228 页,2024 年 6 月。 摘要本文介绍了一种用于动态低秩逼近的并行秩自适应矩阵积分器。该方法与之前提出的秩自适应基更新和 Galerkin(BUG)积分器有关,但有显著区别,即所有产生的微分方程,包括基和 Galerkin 系数,都是并行求解的。此外,这种方法还消除了使用增强基矩阵更新系数的潜在成本。积分器还采用了新的阶跃抑制策略,增强了并行积分器和 BUG 积分器的鲁棒性。通过构造,并行积分器继承了 BUG 积分器和投影分割积分器的稳健误差约束。通过一系列数值实验对并行积分器和 BUG 积分器进行了比较,证明了针对辐射传输和放射治疗问题提出的方法的效率。
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引用次数: 0
A Matrix-Free Exact Newton Method 无矩阵精确牛顿法
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-05-02 DOI: 10.1137/23m157017x
Uwe Naumann
SIAM Journal on Scientific Computing, Volume 46, Issue 3, Page A1423-A1440, June 2024.
Abstract. A modification of Newton’s method for solving systems of [math] nonlinear equations is presented. The new matrix-free method is exact as opposed to a range of inexact Newton methods in the sense that both the Jacobians and the solutions to the linear Newton systems are computed without truncation. It relies on a given decomposition of a structurally dense invertible Jacobian of the residual into a product of [math] structurally sparse invertible elemental Jacobians according to the chain rule of differentiation. Inspired by the adjoint mode of algorithmic differentiation, explicit accumulation of the Jacobian of the residual is avoided. Prospective, generally applicable implementations of the new method can be based on similar ideas. Sparsity is exploited for the direct solution of the linear Newton systems. Optimal exploitation of sparsity yields various well-known computationally intractable combinatorial optimization problems in sparse linear algebra such as Bandwidth or Directed Elimination Ordering. The method is motivated in the context of a decomposition into elemental Jacobians with bandwidth [math] for [math]. In the likely scenario of [math], the computational cost of the standard Newton algorithm is dominated by the cost of accumulating the Jacobian of the residual. It can be estimated as [math], thus exceeding the cost of [math] for the direct solution of the linear Newton system. The new method reduces this cost to [math], yielding a potential improvement by a factor of [math]. Supporting run time measurements are presented for the tridiagonal case showing a reduction of the computational cost by [math]. Generalization yields the combinatorial Matrix-Free Exact Newton Step problem. We prove NP-completeness, and we present algorithmic components for building methods for the approximate solution. Potential applications of the matrix-free exact Newton method in machine learning of surrogates for computationally expensive nonlinear residuals are touched on briefly as part of various conclusions to be drawn.
SIAM 科学计算期刊》,第 46 卷第 3 期,第 A1423-A1440 页,2024 年 6 月。 摘要。介绍了求解[数学]非线性方程组的牛顿方法的一种改进。与一系列不精确的牛顿方法相比,新的无矩阵方法是精确的,即计算线性牛顿系统的雅各布因子和解时无需截断。它依赖于根据微分链规则将残差的结构密集可逆雅各布分解为[数学]结构稀疏可逆元素雅各布的乘积。受算法微分的邻接模式启发,避免了残差雅各布的显式累积。新方法的前瞻性、普遍适用性实施可以基于类似的想法。利用稀疏性直接求解线性牛顿系统。对稀疏性的优化利用会产生稀疏线性代数中各种著名的难以计算的组合优化问题,如带宽或定向消除排序。该方法是在分解为带宽[数学]为[数学]的元素雅各比的背景下提出的。在[math]的可能情况下,标准牛顿算法的计算成本主要是累积残差雅各布的成本。它可以估计为 [math],因此超过了直接求解线性牛顿系统的 [math] 成本。新方法将这一成本降低到[math],可能提高[math]倍。针对三对角线情况的运行时间测量结果表明,计算成本降低了[math]。推广后,我们得到了无矩阵精确牛顿步问题。我们证明了 NP 的完备性,并介绍了构建近似解方法的算法组件。无矩阵精确牛顿法在计算成本高昂的非线性残差代理的机器学习中的潜在应用,将作为得出的各种结论的一部分简要介绍。
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引用次数: 0
Constrained Local Approximate Ideal Restriction for Advection-Diffusion Problems 平流扩散问题的受约束局部近似理想限制
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-05-02 DOI: 10.1137/23m1583442
Ahsan Ali, James J. Brannick, Karsten Kahl, Oliver A. Krzysik, Jacob B. Schroder, Ben S. Southworth
SIAM Journal on Scientific Computing, Ahead of Print.
Abstract. This paper focuses on developing a reduction-based algebraic multigrid (AMG) method that is suitable for solving general (non)symmetric linear systems and is naturally robust from pure advection to pure diffusion. Initial motivation comes from a new reduction-based AMG approach, [math] (local approximate ideal restriction), that was developed for solving advection-dominated problems. Though this new solver is very effective in the advection-dominated regime, its performance degrades in cases where diffusion becomes dominant. This is consistent with the fact that in general, reduction-based AMG methods tend to suffer from growth in complexity and/or convergence rates as the problem size is increased, especially for diffusion-dominated problems in two or three dimensions. Motivated by the success of [math] in the advective regime, our aim in this paper is to generalize the AIR framework with the goal of improving the performance of the solver in diffusion-dominated regimes. To do so, we propose a novel way to combine mode constraints as used commonly in energy-minimization AMG methods with the local approximation of ideal operators used in [math]. The resulting constrained [math] algorithm is able to achieve fast scalable convergence on advective and diffusive problems. In addition, it is able to achieve standard low complexity hierarchies in the diffusive regime through aggressive coarsening, something that was previously difficult for reduction-based methods.
SIAM 科学计算期刊》,提前印刷。 摘要本文的重点是开发一种基于还原的代数多网格(AMG)方法,该方法适用于求解一般(非)对称线性系统,并且从纯平流到纯扩散都具有天然鲁棒性。最初的动力来自于一种新的基于还原的 AMG 方法 [math](局部近似理想限制),这种方法是为解决平流主导问题而开发的。虽然这种新的求解器在平流主导机制下非常有效,但在扩散成为主导的情况下,其性能就会下降。这与以下事实是一致的:一般来说,随着问题规模的增大,基于还原的 AMG 方法往往会出现复杂性和/或收敛率增长的问题,尤其是对于二维或三维的扩散主导型问题。受[math]在平流系统中取得成功的启发,我们在本文中的目标是推广 AIR 框架,以提高求解器在扩散主导系统中的性能。为此,我们提出了一种新方法,将能量最小化 AMG 方法中常用的模式约束与[math]中使用的理想算子局部逼近相结合。由此产生的[math]约束算法能够在平流和扩散问题上实现快速可扩展的收敛。此外,它还能通过积极的粗化在扩散机制中实现标准的低复杂度分层,而这在以前的基于还原的方法中是很难实现的。
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引用次数: 0
Consensus-Based Rare Event Estimation 基于共识的罕见事件估计
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-05-02 DOI: 10.1137/23m1565966
Konstantin Althaus, Iason Papaioannou, Elisabeth Ullmann
SIAM Journal on Scientific Computing, Volume 46, Issue 3, Page A1487-A1513, June 2024.
Abstract. In this paper, we introduce a new algorithm for rare event estimation based on adaptive importance sampling. We consider a smoothed version of the optimal importance sampling density, which is approximated by an ensemble of interacting particles. The particle dynamics is governed by a McKean–Vlasov stochastic differential equation, which was introduced and analyzed in [Carrillo et al., Stud. Appl. Math., 148 (2022), pp. 1069–1140] for consensus-based sampling and optimization of posterior distributions arising in the context of Bayesian inverse problems. We develop automatic updates for the internal parameters of our algorithm. This includes a novel time step size controller for the exponential Euler method, which discretizes the particle dynamics. The behavior of all parameter updates depends on easy to interpret accuracy criteria specified by the user. We show in numerical experiments that our method is competitive to state-of-the-art adaptive importance sampling algorithms for rare event estimation, namely a sequential importance sampling method and the ensemble Kalman filter for rare event estimation. 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/AlthausKonstantin/rareeventestimation/tree/master/docs/figures_paper and in the supplementary materials (rareeventestimation-0.3.0.zip [9.66MB]).
SIAM 科学计算期刊》,第 46 卷第 3 期,第 A1487-A1513 页,2024 年 6 月。 摘要本文介绍了一种基于自适应重要性采样的罕见事件估计新算法。我们考虑了最优重要性采样密度的平滑版本,该密度由相互作用的粒子集合近似得到。粒子动态受 McKean-Vlasov 随机微分方程控制,该方程在[Carrillo 等人,Stud. Appl. Math.,148 (2022),第 1069-1140 页]中引入并分析了贝叶斯逆问题背景下产生的基于共识的采样和后验分布优化。我们为算法的内部参数开发了自动更新功能。这包括指数欧拉法的新型时间步长控制器,它将粒子动力学离散化。所有参数更新的行为都取决于用户指定的易于解释的精度标准。我们在数值实验中表明,我们的方法与用于罕见事件估计的最先进的自适应重要度采样算法(即用于罕见事件估计的序列重要度采样方法和集合卡尔曼滤波器)相比具有竞争力。计算结果的可重复性。本文被授予 "SIAM 可重复性徽章":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。读者可以通过 https://github.com/AlthausKonstantin/rareeventestimation/tree/master/docs/figures_paper 和补充材料(rareeventestimation-0.3.0.zip [9.66MB])中的代码和数据重现本文的结果。
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引用次数: 0
Hybrid Dealiasing of Complex Convolutions 复杂卷积的混合处理
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-05-02 DOI: 10.1137/23m1552073
Noel Murasko, John C. Bowman
SIAM Journal on Scientific Computing, Volume 46, Issue 3, Page B159-B178, June 2024.
Abstract. Efficient algorithms based on the fast Fourier transform are developed for computing linear convolutions. A hybrid approach is described that combines the conventional practice of explicit dealiasing (explicitly padding the input data with zeros) and implicit dealiasing (mathematically accounting for these zero values). The new approach generalizes implicit dealiasing to arbitrary padding ratios and includes explicit dealiasing as a special case. Unlike existing implementations of implicit dealiasing, hybrid dealiasing tailors its subtransform sizes to the convolution geometry. Multidimensional convolutions are implemented with hybrid dealiasing by decomposing them into lower-dimensional convolutions. Convolutions of complex-valued and Hermitian inputs of equal length are illustrated with pseudocode and implemented in the open-source FFTW++ library. Hybrid dealiasing is shown to outperform explicit dealiasing in one, two, and three dimensions. 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 from https://github.com/dealias/fftwpp and in the supplementary materials.
SIAM 科学计算期刊》,第 46 卷第 3 期,第 B159-B178 页,2024 年 6 月。 摘要。基于快速傅立叶变换开发了计算线性卷积的高效算法。文中描述了一种混合方法,它结合了显式dealyasing(显式地在输入数据中填充零值)和隐式dealyasing(在数学上计算这些零值)的传统做法。新方法将隐式消隐推广到任意填充比率,并将显式消隐作为特例。与现有的隐式消去不同,混合式消去可根据卷积几何形状调整子变换大小。多维卷积通过分解为低维卷积来实现混合处理。等长复值和赫米特输入的卷积用伪代码进行了说明,并在开源的 FFTW++ 库中实现。结果表明,在一维、二维和三维中,混合迭代优于显式迭代。计算结果的可重复性。本文被授予 "SIAM 可再现性徽章":代码和数据可用性",以表彰作者遵循了 SISC 和科学计算界重视的可重现性原则。读者可以从 https://github.com/dealias/fftwpp 和补充材料中获取代码和数据,以便重现本文的结果。
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引用次数: 0
Matrix-Free High-Performance Saddle-Point Solvers for High-Order Problems in [math] 数学]中高阶问题的无矩阵高性能鞍点求解器
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-05-02 DOI: 10.1137/23m1568806
Will Pazner, Tzanio Kolev, Panayot S. Vassilevski
SIAM Journal on Scientific Computing, Volume 46, Issue 3, Page B179-B204, June 2024.
Abstract. This work describes the development of matrix-free GPU-accelerated solvers for high-order finite element problems in [math]. The solvers are applicable to grad-div and Darcy problems in saddle-point formulation, and have applications in radiation diffusion and porous media flow problems, among others. Using the interpolation–histopolation basis (cf. [W. Pazner, T. Kolev, and C. R. Dohrmann, SIAM J. Sci. Comput., 45 (2023), pp. A675–A702]), efficient matrix-free preconditioners can be constructed for the [math]-block and Schur complement of the block system. With these approximations, block-preconditioned MINRES converges in a number of iterations that is independent of the mesh size and polynomial degree. The approximate Schur complement takes the form of an M-matrix graph Laplacian and therefore can be well-preconditioned by highly scalable algebraic multigrid methods. High-performance GPU-accelerated algorithms for all components of the solution algorithm are developed, discussed, and benchmarked. Numerical results are presented on a number of challenging test cases, including the “crooked pipe” grad-div problem, the SPE10 reservoir modeling benchmark problem, and a nonlinear radiation diffusion test case.
SIAM 科学计算期刊》,第 46 卷第 3 期,第 B179-B204 页,2024 年 6 月。 摘要这项工作描述了针对[math]中的高阶有限元问题开发的无矩阵 GPU 加速求解器。这些求解器适用于鞍点公式中的梯度二维和达西问题,并可应用于辐射扩散和多孔介质流动问题等。利用插值-组配基础(参见 [W. Pazner, T. Kolev.Pazner, T. Kolev, and C. R. Dohrmann, SIAM J. Sci. Comput., 45 (2023), pp.利用这些近似值,块预处理 MINRES 可以在与网格大小和多项式度无关的迭代次数内收敛。近似舒尔补数采用 M 矩阵图拉普拉奇的形式,因此可以通过高度可扩展的代数多网格方法进行良好预处理。针对求解算法的所有组成部分,我们开发了高性能 GPU 加速算法,并对其进行了讨论和基准测试。在一些具有挑战性的测试案例中展示了数值结果,包括 "弯曲管道 "梯度计算问题、SPE10 储层建模基准问题和非线性辐射扩散测试案例。
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引用次数: 0
Special Section: 2022 Copper Mountain Conference on Iterative Methods 专栏:2022 年迭代法铜山会议
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-04-19 DOI: 10.1137/23m1614110
Andreas Stathopoulos
SIAM Journal on Scientific Computing, Volume 46, Issue 2, Page Si-Si, April 2024.
SIAM 科学计算期刊》,第 46 卷,第 2 期,第 Si-Si 页,2024 年 4 月。
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引用次数: 0
Rounding-Error Analysis of Multigrid [math]-Cycles 多网格[数学]循环的舍入误差分析
IF 3.1 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2024-04-19 DOI: 10.1137/23m1582898
Stephen F. McCormick, Rasmus Tamstorf
SIAM Journal on Scientific Computing, Ahead of Print.
Abstract. Earlier work on rounding-error analysis of multigrid was restricted to cycles that used one relaxation step before coarsening and none afterwards. The present paper extends this analysis to two-grid methods that use one relaxation step both before and after coarsening. The analysis is based on floating point arithmetic and focuses on a two-grid scheme that is perturbed on the coarse grid to allow for an approximate coarse-grid solve. Leveraging previously published results, this two-grid theory can then be extended to general [math]-cycles, as well as full multigrid. It can also be extended to mixed-precision iterative refinement based on these cycles. An added benefit of the theory here over previous work is that it is obtained in a more organized, transparent, and simpler way.
SIAM 科学计算期刊》,提前印刷。 摘要。早期的多网格舍入误差分析工作仅限于在粗化前使用一个松弛步长、粗化后不使用任何松弛步长的循环。本文将这一分析扩展到粗化前后均使用一个松弛步长的双网格方法。分析以浮点运算为基础,重点关注在粗网格上进行扰动以实现近似粗网格求解的双网格方案。利用以前发表的结果,这种双网格理论可以扩展到一般的[math]循环以及全多网格。它还可以扩展到基于这些循环的混合精度迭代细化。与之前的工作相比,本文理论的另一个好处是,它是以一种更有条理、更透明、更简单的方式获得的。
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引用次数: 0
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SIAM Journal on Scientific Computing
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