Low-rank tensor representations can provide highly compressed approximations of functions. These concepts, which essentially amount to generalizations of classical techniques of separation of variables, have proved to be particularly fruitful for functions of many variables. We focus here on problems where the target function is given only implicitly as the solution of a partial differential equation. A first natural question is under which conditions we should expect such solutions to be efficiently approximated in low-rank form. Due to the highly nonlinear nature of the resulting low-rank approximations, a crucial second question is at what expense such approximations can be computed in practice. This article surveys basic construction principles of numerical methods based on low-rank representations as well as the analysis of their convergence and computational complexity.
]]>The present review paper has several objectives. Its primary aim is to give an idea of the general features of virtual element methods (VEMs), which were introduced about a decade ago in the field of numerical methods for partial differential equations, in order to allow decompositions of the computational domain into polygons or polyhedra of a very general shape.
Nonetheless, the paper is also addressed to readers who have already heard (and possibly read) about VEMs and are interested in gaining more precise information, in particular concerning their application in specific subfields such as -approximations of plate bending problems or approximations to problems in solid and fluid mechanics.
]]>Floating-point numbers have an intuitive meaning when it comes to physics-based numerical computations, and they have thus become the most common way of approximating real numbers in computers. The IEEE-754 Standard has played a large part in making floating-point arithmetic ubiquitous today, by specifying its semantics in a strict yet useful way as early as 1985. In particular, floating-point operations should be performed as if their results were first computed with an infinite precision and then rounded to the target format. A consequence is that floating-point arithmetic satisfies the ‘standard model’ that is often used for analysing the accuracy of floating-point algorithms. But that is only scraping the surface, and floating-point arithmetic offers much more.
In this survey we recall the history of floating-point arithmetic as well as its specification mandated by the IEEE-754 Standard. We also recall what properties it entails and what every programmer should know when designing a floating-point algorithm. We provide various basic blocks that can be implemented with floating-point arithmetic. In particular, one can actually compute the rounding error caused by some floating-point operations, which paves the way to designing more accurate algorithms. More generally, properties of floating-point arithmetic make it possible to extend the accuracy of computations beyond working precision.
]]>This article surveys research on the application of compatible finite element methods to large-scale atmosphere and ocean simulation. Compatible finite element methods extend Arakawa’s C-grid finite difference scheme to the finite element world. They are constructed from a discrete de Rham complex, which is a sequence of finite element spaces linked by the operators of differential calculus. The use of discrete de Rham complexes to solve partial differential equations is well established, but in this article we focus on the specifics of dynamical cores for simulating weather, oceans and climate. The most important consequence of the discrete de Rham complex is the Hodge–Helmholtz decomposition, which has been used to exclude the possibility of several types of spurious oscillations from linear equations of geophysical flow. This means that compatible finite element spaces provide a useful framework for building dynamical cores. In this article we introduce the main concepts of compatible finite element spaces, and discuss their wave propagation properties. We survey some methods for discretizing the transport terms that arise in dynamical core equation systems, and provide some example discretizations, briefly discussing their iterative solution. Then we focus on the recent use of compatible finite element spaces in designing structure preserving methods, surveying variational discretizations, Poisson bracket discretizations and consistent vorticity transport.
]]>We discuss the modelling framework of port-Hamiltonian descriptor systems and their use in numerical simulation and control. The structure is ideal for automated network-based modelling since it is invariant under power-conserving interconnection, congruence transformations and Galerkin projection. Moreover, stability and passivity properties are easily shown. Condensed forms under orthogonal transformations present easy analysis tools for existence, uniqueness, regularity and numerical methods to check these properties.
After recalling the concepts for general linear and nonlinear descriptor systems, we demonstrate that many difficulties that arise in general descriptor systems can be easily overcome within the port-Hamiltonian framework. The properties of port-Hamiltonian descriptor systems are analysed, and time discretization and numerical linear algebra techniques are discussed. Structure-preserving regularization procedures for descriptor systems are presented to make them suitable for simulation and control. Model reduction techniques that preserve the structure and stabilization and optimal control techniques are discussed.
The properties of port-Hamiltonian descriptor systems and their use in modelling simulation and control methods are illustrated with several examples from different physical domains. The survey concludes with open problems and research topics that deserve further attention.
]]>One of the main challenges in molecular dynamics is overcoming the ‘timescale barrier’: in many realistic molecular systems, biologically important rare transitions occur on timescales that are not accessible to direct numerical simulation, even on the largest or specifically dedicated supercomputers. This article discusses how to circumvent the timescale barrier by a collection of transfer operator-based techniques that have emerged from dynamical systems theory, numerical mathematics and machine learning over the last two decades. We will focus on how transfer operators can be used to approximate the dynamical behaviour on long timescales, review the introduction of this approach into molecular dynamics, and outline the respective theory, as well as the algorithmic development, from the early numerics-based methods, via variational reformulations, to modern data-based techniques utilizing and improving concepts from machine learning. Furthermore, its relation to rare event simulation techniques will be explained, revealing a broad equivalence of variational principles for long-time quantities in molecular dynamics. The article will mainly take a mathematical perspective and will leave the application to real-world molecular systems to the more than 1000 research articles already written on this subject.
]]>A convex cone is homogeneous if its automorphism group acts transitively on the interior of the cone. Cones that are homogeneous and self-dual are called symmetric. Conic optimization problems over symmetric cones have been extensively studied, particularly in the literature on interior-point algorithms, and as the foundation of modelling tools for convex optimization. In this paper we consider the less well-studied conic optimization problems over cones that are homogeneous but not necessarily self-dual.
We start with cones of positive semidefinite symmetric matrices with a given sparsity pattern. Homogeneous cones in this class are characterized by nested block-arrow sparsity patterns, a subset of the chordal sparsity patterns. Chordal sparsity guarantees that positive define matrices in the cone have zero-fill Cholesky factorizations. The stronger properties that make the cone homogeneous guarantee that the inverse Cholesky factors have the same zero-fill pattern. We describe transitive subsets of the cone automorphism groups, and important properties of the composition of log-det barriers with the automorphisms.
Next, we consider extensions to linear slices of the positive semidefinite cone, and review conditions that make such cones homogeneous. An important example is the matrix norm cone, the epigraph of a quadratic-over-linear matrix function. The properties of homogeneous sparse matrix cones are shown to extend to this more general class of homogeneous matrix cones.
We then give an overview of the algebraic theory of homogeneous cones due to Vinberg and Rothaus. A fundamental consequence of this theory is that every homogeneous cone admits a spectrahedral (linear matrix inequality) representation.
We conclude by discussing the role of homogeneous structure in primal–dual symmetric interior-point methods, contrasting this with the well-developed algorithms for symmetric cones that exploit the strong properties of self-scaled barriers, and with symmetric primal–dual methods for general convex cones.
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