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Limited-memory polynomial methods for large-scale matrix functions 大规模矩阵函数的有限记忆多项式方法
Q1 Mathematics Pub Date : 2020-09-10 DOI: 10.1002/gamm.202000019
Stefan Güttel, Daniel Kressner, Kathryn Lund

Matrix functions are a central topic of linear algebra, and problems requiring their numerical approximation appear increasingly often in scientific computing. We review various limited-memory methods for the approximation of the action of a large-scale matrix function on a vector. Emphasis is put on polynomial methods, whose memory requirements are known or prescribed a priori. Methods based on explicit polynomial approximation or interpolation, as well as restarted Arnoldi methods, are treated in detail. An overview of existing software is also given, as well as a discussion of challenging open problems.

矩阵函数是线性代数的一个中心主题,在科学计算中需要它们的数值近似的问题越来越多地出现。我们回顾了各种有限记忆的方法来逼近大规模矩阵函数对向量的作用。重点放在多项式方法,其内存需求是已知的或预先规定的。详细讨论了基于显式多项式近似或插值的方法以及重新启动的Arnoldi方法。对现有软件的概述也给出了,以及具有挑战性的开放问题的讨论。
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引用次数: 11
A literature survey of matrix methods for data science 数据科学中矩阵方法的文献综述
Q1 Mathematics Pub Date : 2020-09-10 DOI: 10.1002/gamm.202000013
Martin Stoll

Efficient numerical linear algebra is a core ingredient in many applications across almost all scientific and industrial disciplines. With this survey we want to illustrate that numerical linear algebra has played and is playing a crucial role in enabling and improving data science computations with many new developments being fueled by the availability of data and computing resources. We highlight the role of various different factorizations and the power of changing the representation of the data as well as discussing topics such as randomized algorithms, functions of matrices, and high-dimensional problems. We briefly touch upon the role of techniques from numerical linear algebra used within deep learning.

高效的数值线性代数是几乎所有科学和工业学科中许多应用的核心成分。通过这项调查,我们想说明数值线性代数在启用和改进数据科学计算方面发挥了至关重要的作用,数据和计算资源的可用性推动了许多新的发展。我们强调了各种不同分解的作用和改变数据表示的力量,并讨论了诸如随机算法、矩阵函数和高维问题等主题。我们简要地介绍了在深度学习中使用的数值线性代数技术的作用。
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引用次数: 17
Topical Issue Applied and Numerical Linear Algebra (1/2) 应用与数值线性代数(1/2)
Q1 Mathematics Pub Date : 2020-09-10 DOI: 10.1002/gamm.202000020
Stefan Güttel, Jörg Liesen
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引用次数: 0
Matrix functions in network analysis 网络分析中的矩阵函数
Q1 Mathematics Pub Date : 2020-09-10 DOI: 10.1002/gamm.202000012
Michele Benzi, Paola Boito

We review the recent use of functions of matrices in the analysis of graphs and networks, with special focus on centrality and communicability measures and diffusion processes. Both undirected and directed networks are considered, as well as dynamic (temporal) networks. Computational issues are also addressed.

我们回顾了矩阵函数在图和网络分析中的最新应用,特别关注中心性和可沟通性度量以及扩散过程。无向网络和有向网络以及动态(时间)网络都被考虑。还讨论了计算问题。
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引用次数: 34
Numerical linear algebra in data assimilation 数据同化中的数值线性代数
Q1 Mathematics Pub Date : 2020-09-10 DOI: 10.1002/gamm.202000014
Melina A. Freitag

Data assimilation is a method that combines observations (ie, real world data) of a state of a system with model output for that system in order to improve the estimate of the state of the system and thereby the model output. The model is usually represented by a discretized partial differential equation. The data assimilation problem can be formulated as a large scale Bayesian inverse problem. Based on this interpretation we will derive the most important variational and sequential data assimilation approaches, in particular three-dimensional and four-dimensional variational data assimilation (3D-Var and 4D-Var) and the Kalman filter. We will then consider more advanced methods which are extensions of the Kalman filter and variational data assimilation and pay particular attention to their advantages and disadvantages. The data assimilation problem usually results in a very large optimization problem and/or a very large linear system to solve (due to inclusion of time and space dimensions). Therefore, the second part of this article aims to review advances and challenges, in particular from the numerical linear algebra perspective, within the various data assimilation approaches.

数据同化是一种将系统状态的观测(即真实世界的数据)与该系统的模型输出相结合的方法,目的是改进对系统状态的估计,从而改进模型输出。该模型通常用离散化的偏微分方程表示。数据同化问题可以表述为一个大规模的贝叶斯反问题。基于这种解释,我们将推导出最重要的变分和顺序数据同化方法,特别是三维和四维变分数据同化(3D-Var和4D-Var)和卡尔曼滤波。然后,我们将考虑更先进的方法,即卡尔曼滤波和变分数据同化的扩展,并特别注意它们的优点和缺点。数据同化问题通常会导致一个非常大的优化问题和/或一个非常大的线性系统需要解决(由于包含时间和空间维度)。因此,本文的第二部分旨在回顾各种数据同化方法的进展和挑战,特别是从数值线性代数的角度。
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引用次数: 5
Modeling and simulation of human induced pluripotent stem cell-derived cardiac tissue 人类诱导多能干细胞衍生心脏组织的建模与仿真
Q1 Mathematics Pub Date : 2020-05-28 DOI: 10.1002/gamm.202000011
Alexander Jung, Manfred Staat

 

In the discussion section of Jung and Staat1, the statement “a factor of 1000 when the ventricular-like” should be corrected to “a factor of 10 if the ventricular-like”.

The online version has been corrected.

在Jung和Staat1的讨论部分,“当心室样时,因子为1000”的说法应该更正为“如果心室样,因子为10”。网上版本已更正。
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引用次数: 1
A mixed least-squares finite element formulation with explicit consideration of the balance of moment of momentum, a numerical study 明确考虑动量平衡的混合最小二乘有限元公式,数值研究
Q1 Mathematics Pub Date : 2019-11-15 DOI: 10.1002/gamm.202000009
Maximilian Igelbüscher, Jörg Schröder, Alexander Schwarz

Important conditions in structural analysis are the fulfillment of the balance of linear momentum (vanishing resultant forces) and the balance of angular momentum (vanishing resultant moment), which is not a priori satisfied for arbitrary element formulations. In this contribution, we analyze a mixed least-squares (LS) finite element formulation for linear elasticity with explicit consideration of the balance of angular momentum. The considered stress-displacement (σ − u) formulation is based on the squared L2(ℬ)-norm minimization of the residuals of a first-order system of differential equations. The formulation is constructed by means of two residuals, that is, the balance of linear momentum and the constitutive equation. Motivated by the crucial point of weighting factors within LS formulations, a scale independent formulation is constructed. The displacement approximation is performed by standard Lagrange polynomials and the stress approximation with Raviart-Thomas functions. The latter ansatz functions do not a priori fulfill the symmetry of the Cauchy stress tensor. Therefore, a redundant residual, the balance of angular momentum ((x − x0) × (divσ + f) + axl[σ − σT]), is introduced and the results are discussed from the engineering point of view, especially for coarse mesh discretizations. However, this formulation shows an improvement compared to standard LS σ − u formulations, which is considered here in a numerical study.

结构分析的重要条件是线性动量平衡(合力消失)和角动量平衡(合力消失)的满足,这不是任意单元公式所能先验满足的。在这篇贡献中,我们分析了线性弹性的混合最小二乘(LS)有限元公式,明确考虑了角动量的平衡。所考虑的应力-位移(σ−u)公式是基于二阶微分方程组残差的平方L2(∑)范数最小化。该公式由两个残差组成,即线性动量平衡和本构方程。基于LS公式中权重因子的关键点,构造了一个尺度无关的LS公式。位移近似采用标准拉格朗日多项式,应力近似采用拉维亚特-托马斯函数。后一种拟合函数并不先验地满足柯西应力张量的对称性。因此,引入了一个冗余残差,即角动量平衡((x−x0) × (divσ + f) + axl[σ−σ t]),并从工程角度讨论了结果,特别是对粗网格的离散化。然而,与标准LS σ−u公式相比,这个公式显示了一个改进,这是在数值研究中考虑的。
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引用次数: 0
Preface GAMM Mitteilungen
Q1 Mathematics Pub Date : 2019-10-24 DOI: 10.1002/gamm.202000010
Jörg Schröder, Thomas Wick
The aim of this Priority Programme is to pool expertise of mathematics and mechanics in Germany and to create new collaborations and strengthen existing networks. Over the last years the main objective of the Priority Programme has been the development of modern nonconventional discretization's, based on for example, mixed (Galerkin or least-squares) finite elements, discontinuous Galerkin formulations, finite cell methods, collocation techniques, or isogeometric analysis. These developments include the mathematical analysis for geometrically as well as physically nonlinear problems in the fields of, for instance, incompressibility, anisotropies, and discontinuities (cracks or contact). Numerical simulation techniques are an essential component for the construction, design and optimization of cutting-edge technologies as for example innovative products, new materials as well as medical-technical applications and production processes. These important developments pose great demands on the quality, reliability, and efficiency of numerical methods, which are used for the simulation of the aforementioned complex problems. Existing computer-based solution methods often provide approximations, which cannot guarantee or fulfill substantial, absolutely necessary stability criteria. Specifically in the field of geometrical and material nonlinearities such uncertainties appear. Consequently, the Priority Programme 1748 focuses on novel approaches for reliable simulation techniques in solid mechanics, especially in the development of nonstandard discretization methods accompanied with mechanical and mathematical analysis. The topics addressed in this special issue will deal with mathematical and mechanical aspects of nonconventional discretization methods. The investigation of the sensitivity of phase-field approaches with respect to model specific parameters, that is, the critical length of regularization, the degradation function and the mobility is discussed in “A detailed investigation of the model influencing parameters of the phase-field fracture approach” by C. Bilgen, A. Kopaničáková, R. Krause, and K. Weinberg. The insights of diffusive models for fracture formulations are presented by a phase field model for ductile fracture with linear isotropic hardening in “3D phase field simulations of ductile fracture” by T. Noll, C. Kuhn, D. Olesch, and R. Müller. A stress equilibration procedure for hyperelastic material models based on a displacement-pressure approximation is investigated in the paper “Weakly symmetric stress equilibrium for hyperelastic material models” by F. Bertrand, M. Moldenhauer, and G. Starke. A mixed least-squares formulation with explicit consideration of the balance of angular momentum is discussed from an engineering point of view for the fulfillment of support reactions in the contribution “A mixed least-squares finite element formulation with explicit consideration of the balance of moment of momentum, a numerical study” by M.
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引用次数: 0
Preface GAMM Mitteilungen
Q1 Mathematics Pub Date : 2019-09-17 DOI: 10.1002/gamm.202000006
Jörg Schröder, Thomas Wick
The aim of this Priority Programme is to pool the expertise of mathematics and mechanics in Germany and to create new collaborations and strengthen existing networks. Over the last years, the main objective of the Priority Programme has been the development of modern, nonconventional discretizations based on, for example, mixed (Galerkin or least-squares) finite elements, discontinuous Galerkin formulations, finite cell methods, collocation techniques, or isogeometric analysis. These developments include the mathematical analysis for geometrically, as well as physically, nonlinear problems in the fields of, for instance, incompressibility, anisotropies, and discontinuities (cracks or contact). Numerical simulation techniques are an essential component for the construction, design, and optimization of cutting-edge technologies as, for example, innovative products, new materials and medical-technical applications, and production processes. These important developments pose great demands on the quality, reliability, and efficiency of numerical methods, which are used for the simulation of the aforementioned complex problems. Existing computer-based solution methods often provide approximations, which cannot guarantee or fulfill substantial, absolutely necessary stability criteria. Such uncertainties appear specifically in the field of geometrical and material nonlinearities. Consequently, the Priority Programme 1748 focuses on novel approaches for reliable simulation techniques in solid mechanics, especially in the development of nonstandard discretization methods accompanied by mechanical and mathematical analysis. The topics addressed in this special issue will deal with mathematical and mechanical aspects of nonconventional discretization methods. An application of a diffuse modeling approach for embedded material interfaces to nonconforming meshes is presented for linear elasticity in the paper “A diffuse modeling approach for embedded interfaces in linear elasticity” by P. Hennig, R. Maier, D. Peterseim, D. Schillinger, B. Verfürth, and M. Kästner. Mixed finite-element formulations for gradient elasticity are presented in a finite strain hyperelastic setting in the contribution “Three-field mixed finite element formulations for gradient elasticity at finite strains” by the authors J. Riesselmann, J. Ketteler, M. Schedensack, and D. Balzani. The investigation of mesh adaptivity for monolithic phase-field fractures in brittle materials by a reliable and efficient residual-type error estimator is discussed in the contribution “Mesh adaptivity for quasi-static phase-field fractures based on a residual-type a posteriori error estimator” by K. Mang, M. Walloth, T. Wick, and W. Wollner. The application of hp-basis functions with higher differentiability properties in the context of the finite cell method and numerical simulations on complex geometries is presented in “hp-basis functions of higher differentiability in the Finite Cell Method” by S. Koll
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引用次数: 2
3D phase field simulations of ductile fracture 韧性断裂三维相场模拟
Q1 Mathematics Pub Date : 2019-09-17 DOI: 10.1002/gamm.202000008
Timo Noll, Charlotte Kuhn, Darius Olesch, Ralf Müller

In this contribution a phase field model for ductile fracture with linear isotropic hardening is presented. An energy functional consisting of an elastic energy, a plastic dissipation potential and a Griffith type fracture energy constitutes the model. The application of an unaltered radial return algorithm on element level is possible due to the choice of an appropriate coupling between the nodal degrees of freedom, namely the displacement and the crack/fracture fields. The degradation function models the mentioned coupling by reducing the stiffness of the material and the plastic contribution of the energy density in broken material. Furthermore, to solve the global system of differential equations comprising the balance of linear momentum and the quasi-static Ginzburg-Landau type evolution equation, the application of a monolithic iterative solution scheme becomes feasible. The compact model is used to perform 3D simulations of fracture in tension. The computed plastic zones are compared to the dog-bone model that is used to derive validity criteria for KIC measurements.

本文提出了一种具有线性各向同性硬化的韧性断裂相场模型。该模型由弹性能、塑性耗散势和Griffith型断裂能组成的能量泛函构成。由于节点自由度(即位移和裂纹/断裂场)之间选择了适当的耦合,因此可以在单元水平上应用不变的径向返回算法。退化函数通过降低材料的刚度和破碎材料中能量密度的塑性贡献来模拟上述耦合。此外,对于包含线性动量平衡和准静态Ginzburg-Landau型演化方程的全局微分方程组,采用整体迭代解方案变得可行。采用紧凑模型对拉伸断裂进行了三维模拟。计算的塑性区与狗骨模型进行了比较,该模型用于导出KIC测量的有效性标准。
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引用次数: 21
期刊
GAMM Mitteilungen
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