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A perspective on machine learning methods in turbulence modeling 湍流建模中机器学习方法的展望
Q1 Mathematics Pub Date : 2021-03-04 DOI: 10.1002/gamm.202100002
Andrea Beck, Marius Kurz

This work presents a review of the current state of research in data-driven turbulence closure modeling. It offers a perspective on the challenges and open issues but also on the advantages and promises of machine learning (ML) methods applied to parameter estimation, model identification, closure term reconstruction, and beyond, mostly from the perspective of large Eddy simulation and related techniques. We stress that consistency of the training data, the model, the underlying physics, and the discretization is a key issue that needs to be considered for a successful ML-augmented modeling strategy. In order to make the discussion useful for non-experts in either field, we introduce both the modeling problem in turbulence as well as the prominent ML paradigms and methods in a concise and self-consistent manner. In this study, we present a survey of the current data-driven model concepts and methods, highlight important developments, and put them into the context of the discussed challenges.

本文综述了数据驱动湍流闭合建模的研究现状。它提供了一个关于挑战和开放问题的观点,但也提供了机器学习(ML)方法应用于参数估计、模型识别、闭项重建等方面的优势和前景,主要是从大涡模拟和相关技术的角度出发。我们强调训练数据、模型、底层物理和离散化的一致性是一个成功的ml增强建模策略需要考虑的关键问题。为了使讨论对任何一个领域的非专家都有用,我们以简洁和自一致的方式介绍了湍流中的建模问题以及突出的ML范式和方法。在本研究中,我们对当前数据驱动模型的概念和方法进行了调查,强调了重要的发展,并将它们置于所讨论的挑战的背景下。
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引用次数: 51
Machine learning for material characterization with an application for predicting mechanical properties 材料表征的机器学习及其预测机械性能的应用
Q1 Mathematics Pub Date : 2021-03-04 DOI: 10.1002/gamm.202100003
Anke Stoll, Peter Benner

Currently, the growth of material data from experiments and simulations is expanding beyond processable amounts. This makes the development of new data-driven methods for the discovery of patterns among multiple lengthscales and time-scales and structure-property relationships essential. These data-driven approaches show enormous promise within materials science. The following review covers machine learning (ML) applications for metallic material characterization. Many parameters associated with the processing and the structure of materials affect the properties and the performance of manufactured components. Thus, this study is an attempt to investigate the usefulness of ML methods for material property prediction. Material characteristics such as strength, toughness, hardness, brittleness, or ductility are relevant to categorize a material or component according to their quality. In industry, material tests like tensile tests, compression tests, or creep tests are often time consuming and expensive to perform. Therefore, the application of ML approaches is considered helpful for an easier generation of material property information. This study also gives an application of ML methods on small punch test (SPT) data for the determination of the property ultimate tensile strength for various materials. A strong correlation between SPT data and tensile test data was found which ultimately allows to replace more costly tests by simple and fast tests in combination with ML.

目前,来自实验和模拟的材料数据的增长超出了可处理的数量。这使得开发新的数据驱动方法来发现多个长度尺度和时间尺度以及结构-属性关系之间的模式至关重要。这些数据驱动的方法在材料科学中显示出巨大的前景。下面回顾了机器学习(ML)在金属材料表征中的应用。与材料的加工和结构有关的许多参数影响制造部件的性能和性能。因此,本研究试图探讨机器学习方法对材料性能预测的有用性。材料的特性,如强度、韧性、硬度、脆性或延展性,与根据质量对材料或部件进行分类有关。在工业中,拉伸试验、压缩试验或蠕变试验等材料试验通常既耗时又昂贵。因此,ML方法的应用被认为有助于更容易地生成材料属性信息。本研究还给出了ML方法在小冲孔试验(SPT)数据上的应用,以确定各种材料的性能极限拉伸强度。发现SPT数据和拉伸试验数据之间存在很强的相关性,这最终允许通过结合ML的简单快速试验取代更昂贵的试验。
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引用次数: 28
Topical Issue Applied and Numerical Linear Algebra (2/2) 应用与数值线性代数(2/2)
Q1 Mathematics Pub Date : 2020-11-03 DOI: 10.1002/gamm.202000021
Stefan Güttel, Jörg Liesen

The present special issue of the GAMM Mitteilungen, which is the second of a two-part series, contains contributions on the topic of Applied and Numerical Linear Algebra, compiled by the GAMM Activity Group of the same name. The Activity Group has already contributed special issues to the GAMM Mitteilungen in 2004, 2006, and 2013. Because of the rapid development both in the theoretical foundations and the applicability of numerical linear algebra techniques throughout science and engineering, it is time again to survey the field and present the results to the readers of the GAMM Mitteilungen. We are happy that eight authors or teams of authors have accepted our invitation to report on recent research highlights in Applied Numerical Linear Algebra, and to point out the relevant literature as well as software.

This work by Federico Poloni reviews a family of algorithms for Lyapunov- and Riccati-type equations which are all related by the idea of doubling. The algorithms are compared and their connections are highlighted. The paper also discusses open problems relating to their theory.

目前的GAMM Mitteilungen特刊是两部分系列的第二部分,包含了由同名GAMM活动小组编写的关于应用和数值线性代数主题的贡献。活动小组已经在2004年、2006年和2013年为GAMM Mitteilungen提供了特刊。由于数值线性代数技术在整个科学和工程领域的理论基础和适用性的迅速发展,现在是时候再次调查该领域并将结果呈现给GAMM Mitteilungen的读者。我们很高兴有8位作者或作者团队接受了我们的邀请,报告了应用数值线性代数的最新研究亮点,并指出了相关的文献和软件。Federico Poloni的这项工作回顾了李雅普诺夫和里卡蒂型方程的一系列算法,这些算法都与加倍的思想有关。对这些算法进行了比较,并突出了它们之间的联系。本文还讨论了与他们的理论有关的开放性问题。
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引用次数: 3
Preconditioners for Krylov subspace methods: An overview Krylov子空间方法的前置条件:概述
Q1 Mathematics Pub Date : 2020-10-21 DOI: 10.1002/gamm.202000015
John W. Pearson, Jennifer Pestana

When simulating a mechanism from science or engineering, or an industrial process, one is frequently required to construct a mathematical model, and then resolve this model numerically. If accurate numerical solutions are necessary or desirable, this can involve solving large-scale systems of equations. One major class of solution methods is that of preconditioned iterative methods, involving preconditioners which are computationally cheap to apply while also capturing information contained in the linear system. In this article, we give a short survey of the field of preconditioning. We introduce a range of preconditioners for partial differential equations, followed by optimization problems, before discussing preconditioners constructed with less standard objectives in mind.

在模拟科学、工程或工业过程中的机制时,经常需要构建数学模型,然后用数值方法求解该模型。如果精确的数值解是必要的或需要的,这可能涉及求解大型方程组。一类主要的解决方法是预条件迭代方法,它涉及的预条件在计算上很便宜,同时也可以捕获线性系统中包含的信息。在本文中,我们对预处理领域进行了简要的综述。我们介绍了偏微分方程的一系列预条件,然后讨论了优化问题,然后讨论了不太标准目标构造的预条件。
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引用次数: 22
Iterative and doubling algorithms for Riccati-type matrix equations: A comparative introduction riccti型矩阵方程的迭代和加倍算法:比较介绍
Q1 Mathematics Pub Date : 2020-10-08 DOI: 10.1002/gamm.202000018
Federico Poloni

We review a family of algorithms for Lyapunov- and Riccati-type equations which are all related to each other by the idea of doubling: they construct the iterate Qk=X2k of another naturally-arising fixed-point iteration (Xh) via a sort of repeated squaring. The equations we consider are Stein equations X − A X A = Q, Lyapunov equations A X + X A + Q = 0, discrete-time algebraic Riccati equations X = Q + A X(I + G X)−1A, continuous-time algebraic Riccati equations Q + A X + X A − X G X = 0, palindromic quadratic matrix equations A + Q Y + AY2 = 0, and nonlinear matrix equations X + A X−1A = Q. We draw comparisons among these algorithms, highlight the connections between them and to other algorithms such as subspace iteration, and discuss open issues in their theory.

我们回顾了李雅普诺夫和里卡蒂型方程的一系列算法,它们都是通过加倍的思想相互关联的:它们构造迭代Q k = X 2k另一个自然产生的不动点迭代(Xh)通过一种重复平方。我们考虑的方程是Stein方程X−A∗X A = Q, Lyapunov方程A * X + X A + Q = 0,离散时间代数Riccati方程X = Q + A∗X(I + G X)−1A,连续时间代数Riccati方程Q + A∗X + X A−X G X = 0,回文二次矩阵方程A + Q Y + A∗Y2 = 0,以及非线性矩阵方程X + A∗X−1A = Q。我们对这些算法进行了比较,强调了它们与其他算法(如子空间迭代)之间的联系,并讨论了它们理论中的开放问题。
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引用次数: 0
Krylov methods for inverse problems: Surveying classical, and introducing new, algorithmic approaches 反问题的Krylov方法:考察经典,并引入新的算法方法
Q1 Mathematics Pub Date : 2020-09-28 DOI: 10.1002/gamm.202000017
Silvia Gazzola, Malena Sabaté Landman

Large-scale linear systems coming from suitable discretizations of linear inverse problems are challenging to solve. Indeed, since they are inherently ill-posed, appropriate regularization should be applied; since they are large-scale, well-established direct regularization methods (such as Tikhonov regularization) cannot often be straightforwardly employed, and iterative linear solvers should be exploited. Moreover, every regularization method crucially depends on the choice of one or more regularization parameters, which should be suitably tuned. The aim of this paper is twofold: (a) survey some well-established regularizing projection methods based on Krylov subspace methods (with a particular emphasis on methods based on the Golub-Kahan bidiagonalization algorithm), and the so-called hybrid approaches (which combine Tikhonov regularization and projection onto Krylov subspaces of increasing dimension); (b) introduce a new principled and adaptive algorithmic approach for regularization similar to specific instances of hybrid methods. In particular, the new strategy provides reliable parameter choice rules by leveraging the framework of bilevel optimization, and the links between Gauss quadrature and Golub-Kahan bidiagonalization. Numerical tests modeling inverse problems in imaging illustrate the performance of existing regularizing Krylov methods, and validate the new algorithms.

由线性逆问题的适当离散化而产生的大规模线性系统是一个具有挑战性的问题。事实上,由于它们本质上是病态的,因此应该应用适当的正则化;由于它们是大规模的,成熟的直接正则化方法(如Tikhonov正则化)通常不能直接使用,而应该利用迭代线性求解器。此外,每一种正则化方法都依赖于一个或多个正则化参数的选择,这些参数应该进行适当的调整。本文的目的有两个:(a)综述了一些基于Krylov子空间方法的成熟的正则化投影方法(特别强调了基于Golub-Kahan双对角化算法的方法)和所谓的混合方法(将Tikhonov正则化和投影结合到增加维数的Krylov子空间上);(b)引入一种新的原则性和自适应的正则化算法,类似于混合方法的具体实例。特别是,新策略通过利用双层优化框架,以及Gauss正交和Golub-Kahan双对角化之间的联系,提供了可靠的参数选择规则。模拟成像反问题的数值试验说明了现有正则化Krylov方法的性能,并验证了新算法的有效性。
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引用次数: 18
A survey of subspace recycling iterative methods 子空间循环迭代方法综述
Q1 Mathematics Pub Date : 2020-09-20 DOI: 10.1002/gamm.202000016
Kirk M. Soodhalter, Eric de Sturler, Misha E. Kilmer

This survey concerns subspace recycling methods, a popular class of iterative methods that enable effective reuse of subspace information in order to speed up convergence and find good initial vectors over a sequence of linear systems with slowly changing coefficient matrices, multiple right-hand sides, or both. The subspace information that is recycled is usually generated during the run of an iterative method (usually a Krylov subspace method) on one or more of the systems. Following introduction of definitions and notation, we examine the history of early augmentation schemes along with deflation preconditioning schemes and their influence on the development of recycling methods. We then discuss a general residual constraint framework through which many augmented Krylov and recycling methods can both be viewed. We review several augmented and recycling methods within this framework. We then discuss some known effective strategies for choosing subspaces to recycle before taking the reader through more recent developments that have generalized recycling for (sequences of) shifted linear systems, some of them with multiple right-hand sides in mind. We round out our survey with a brief review of application areas that have seen benefit from subspace recycling methods.

这项调查涉及子空间回收方法,这是一种流行的迭代方法,可以有效地重用子空间信息,以加快收敛速度,并在具有缓慢变化的系数矩阵、多个右侧或两者的线性系统序列上找到良好的初始向量。回收的子空间信息通常是在一个或多个系统上运行迭代方法(通常是Krylov子空间方法)期间生成的。在介绍定义和符号之后,我们研究了早期增强方案的历史以及通货紧缩预处理方案及其对回收方法发展的影响。然后,我们讨论了一个一般的剩余约束框架,通过它可以看到许多增强的Krylov和回收方法。我们在此框架内回顾了几种增强和回收方法。然后,我们讨论了一些已知的有效策略,用于选择要回收的子空间,然后再向读者介绍移位线性系统(序列)的广义回收的最新发展,其中一些考虑了多个右手边。最后,我们简要回顾了从子空间回收方法中获益的应用领域。
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引用次数: 31
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
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