Partial differential equations (PDEs) are used with huge success to model phenomena across all scientific and engineering disciplines. However, across an equally wide swath, there exist situations in which PDEs fail to adequately model observed phenomena, or are not the best available model for that purpose. On the other hand, in many situations, nonlocal models that account for interaction occurring

Phase retrieval, i.e. the problem of recovering a function from the squared magnitude of its Fourier transform, arises in many applications, such as X-ray crystallography, diffraction imaging, optics, quantum mechanics and astronomy. This problem has confounded engineers, physicists, and mathematicians for many decades. Recently, phase retrieval has seen a resurgence in research activity, ignited by

The semiclassically scaled time-dependent multi-particle Schrödinger equation describes, inter alia, quantum dynamics of nuclei in a molecule. It poses the combined computational challenges of high oscillations and high dimensions. This paper reviews and studies numerical approaches that are robust to the small semiclassical parameter. We present and analyse variationally evolving Gaussian wave packets

This survey describes probabilistic algorithms for linear algebraic computations, such as factorizing matrices and solving linear systems. It focuses on techniques that have a proven track record for real-world problems. The paper treats both the theoretical foundations of the subject and practical computational issues. Topics include norm estimation, matrix approximation by sampling, structured and

We review recent advances in algorithms for quadrature, transforms, differential equations and singular integral equations using orthogonal polynomials. Quadrature based on asymptotics has facilitated optimal complexity quadrature rules, allowing for efficient computation of quadrature rules with millions of nodes. Transforms based on rank structures in change-of-basis operators allow for quasi-optimal

Essentially non-oscillatory (ENO) and weighted ENO (WENO) schemes were designed for solving hyperbolic and convection–diffusion equations with possibly discontinuous solutions or solutions with sharp gradient regions. The main idea of ENO and WENO schemes is actually an approximation procedure, aimed at achieving arbitrarily high-order accuracy in smooth regions and resolving shocks or other discontinuities

Recent research in inverse problems seeks to develop a mathematically coherent foundation for combining data-driven models, and in particular those based on deep learning, with domain-specific knowledge contained in physical–analytical models. The focus is on solving ill-posed inverse problems that are at the core of many challenging applications in the natural sciences, medicine and life sciences

Contact phenomena arise in a variety of industrial process and engineering applications. For this reason, contact mechanics has attracted substantial attention from research communities. Mathematical problems from contact mechanics have been studied extensively for over half a century. Effort was initially focused on variational inequality formulations, and in the past ten years considerable effort

In many optimization problems arising from scientific, engineering and artificial intelligence applications, objective and constraint functions are available only as the output of a black-box or simulation oracle that does not provide derivative information. Such settings necessitate the use of methods for derivative-free, or zeroth-order, optimization. We provide a review and perspectives on developments

Kohn–Sham density functional theory (DFT) is the most widely used electronic structure theory. Despite significant progress in the past few decades, the numerical solution of Kohn–Sham DFT problems remains challenging, especially for large-scale systems. In this paper we review the basics as well as state-of-the-art numerical methods, and focus on the unique numerical challenges of DFT.

We survey recent work on approximation algorithms for computing degree-constrained subgraphs in graphs and their applications in combinatorial scientific computing. The problems we consider include maximization versions of cardinality matching, edge-weighted matching, vertex-weighted matching and edge-weighted $b$ -matching, and minimization versions of weighted edge cover and $b$ -edge cover. Exact

Data assimilation addresses the general problem of how to combine model-based predictions with partial and noisy observations of the process in an optimal manner. This survey focuses on sequential data assimilation techniques using probabilistic particle-based algorithms. In addition to surveying recent developments for discrete- and continuous-time data assimilation, both in terms of mathematical

None

None

Regularization methods are a key tool in the solution of inverse problems. They are used to introduce prior knowledge and allow a robust approximation of ill-posed (pseudo-) inverses. In the last two decades interest has shifted from linear to nonlinear regularization methods, even for linear inverse problems. The aim of this paper is to provide a reasonably comprehensive overview of this shift towards

This paper surveys in detail the relations between numerical integration and the Hamiltonian (or hybrid) Monte Carlo method (HMC). Since the computational cost of HMC mainly lies in the numerical integrations, these should be performed as efficiently as possible. However, HMC requires methods that have the geometric properties of being volume-preserving and reversible, and this limits the number of

This article is about numerical methods for the solution of nonlinear equations. We consider both the fixed-point form $\mathbf{x}=\mathbf{G}(\mathbf{x})$ and the equations form $\mathbf{F}(\mathbf{x})=0$ and explain why both versions are necessary to understand the solvers. We include the classical methods to make the presentation complete and discuss less familiar topics such as Anderson acceleration

Shallow-water equations are widely used to model water flow in rivers, lakes, reservoirs, coastal areas, and other situations in which the water depth is much smaller than the horizontal length scale of motion. The classical shallow-water equations, the Saint-Venant system, were originally proposed about 150 years ago and still are used in a variety of applications. For many practical purposes, it

The use of computational models and simulations to predict events that take place in our physical universe, or to predict the behaviour of engineered systems, has significantly advanced the pace of scientific discovery and the creation of new technologies for the benefit of humankind over recent decades, at least up to a point. That ‘point’ in recent history occurred around the time that the scientific

None

None

Nonlinear eigenvalue problems arise in a variety of science and engineering applications, and in the past ten years there have been numerous breakthroughs in the development of numerical methods. This article surveys nonlinear eigenvalue problems associated with matrix-valued functions which depend nonlinearly on a single scalar parameter, with a particular emphasis on their mathematical properties

This survey provides an introduction to the use of randomization in the design of fast algorithms for numerical linear algebra. These algorithms typically examine only a subset of the input to solve basic problems approximately, including matrix multiplication, regression and low-rank approximation. The survey describes the key ideas and gives complete proofs of the main results in the field. A central

We review the construction and analysis of numerical methods for strongly nonlinear PDEs, with an emphasis on convex and non-convex fully nonlinear equations and the convergence to viscosity solutions. We begin by describing a fundamental result in this area which states that stable, consistent and monotone schemes converge as the discretization parameter tends to zero. We review methodologies to construct

The structure from motion (SfM) problem in computer vision is to recover the three-dimensional (3D) structure of a stationary scene from a set of projective measurements, represented as a collection of two-dimensional (2D) images, via estimation of motion of the cameras corresponding to these images. In essence, SfM involves the three main stages of (i) extracting features in images (e.g. points of

Mathematical and numerical modelling of the cardiovascular system is a research topic that has attracted remarkable interest from the mathematical community because of its intrinsic mathematical difficulty and the increasing impact of cardiovascular diseases worldwide. In this review article we will address the two principal components of the cardiovascular system: arterial circulation and heart function

This paper provides an overview of AMG methods for solving large-scale systems of equations, such as those from discretizations of partial differential equations. AMG is often understood as the acronym of ‘algebraic multigrid’, but it can also be understood as ‘abstract multigrid’. Indeed, we demonstrate in this paper how and why an algebraic multigrid method can be better understood at a more abstract

None

None

Many crucial scientific computing applications, ranging from national security to medical advances, rely on high-performance linear algebra algorithms and technologies, underscoring their importance and broad impact. Here we present the state-of-the-art design and implementation practices for the acceleration of the predominant linear algebra algorithms on large-scale accelerated multicore systems

A large number of imaging problems reduce to the optimization of a cost function, with typical structural properties. The aim of this paper is to describe the state of the art in continuous optimization methods for such problems, and present the most successful approaches and their interconnections. We place particular emphasis on optimal first-order schemes that can deal with typical non-smooth and

In recent decades, condition numbers have joined forces with probabilistic analysis to give rise to a form of condition-based analysis of algorithms. In this paper we survey how this analysis is done via a number of examples. We precede this catalogue of examples with short primers on both condition numbers and probabilistic analyses.

Wilkinson defined a sparse matrix as one with enough zeros that it pays to take advantage of them.1 This informal yet practical definition captures the essence of the goal of direct methods for solving sparse matrix problems. They exploit the sparsity of a matrix to solve problems economically: much faster and using far less memory than if all the entries of a matrix were stored and took part in explicit

A standard paradigm for the existence of solutions in fluid dynamics is based on the construction of sequences of approximate solutions or approximate minimizers. This approach faces serious obstacles, most notably in multi-dimensional problems, where the persistence of oscillations at ever finer scales prevents compactness. Indeed, these oscillations are an indication, consistent with recent theoretical

The objective of molecular dynamics computations is to infer macroscopic properties of matter from atomistic models via averages with respect to probability measures dictated by the principles of statistical physics. Obtaining accurate results requires efficient sampling of atomistic configurations, which are typically generated using very long trajectories of stochastic differential equations in high

None

None