A bibliography on parallel and vector numerical algorithms

This is a bibliography of numerical methods. It also includes a number of other references on machine architecture, programming language, and other topics of interest to scientific computing. Certain conference proceedings and anthologies which have been published in book form are listed also

Physics informed neural networks for elliptic equations with oscillatory differential operators

We consider standard physics informed neural network solution methods for elliptic partial differential equations with oscillatory coefficients. We show that if the coefficient in the elliptic operator contains frequencies on the order of $1/\epsilon$, then the Frobenius norm of the neural tangent kernel matrix associated to the loss function grows as $1/\epsilon^2$. Numerical examples illustrate the stiffness of the optimization problem

Fast global spectral methods for three-dimensional partial differential equations

Global spectral methods offer the potential to compute solutions of partial differential equations numerically to very high accuracy. In this work, we develop a novel global spectral method for linear partial differential equations on cubes by extending ideas of Chebop2 [Townsend and Olver, J. Comput. Phys., 299 (2015)] to the three-dimensional setting utilizing expansions in tensorized polynomial bases. Solving the discretized PDE involves a linear system that can be recast as a linear tensor equation. Under suitable additional assumptions, the structure of these equations admits for an efficient solution via the blocked recursive solver [Chen and Kressner, Numer. Algorithms, 84 (2020)]. In the general case, when these assumptions are not satisfied, this solver is used as a preconditioner to speed up computations

Optimising Spatial and Tonal Data for PDE-based Inpainting

Some recent methods for lossy signal and image compression store only a few selected pixels and fill in the missing structures by inpainting with a partial differential equation (PDE). Suitable operators include the Laplacian, the biharmonic operator, and edge-enhancing anisotropic diffusion (EED). The quality of such approaches depends substantially on the selection of the data that is kept. Optimising this data in the domain and codomain gives rise to challenging mathematical problems that shall be addressed in our work. In the 1D case, we prove results that provide insights into the difficulty of this problem, and we give evidence that a splitting into spatial and tonal (i.e. function value) optimisation does hardly deteriorate the results. In the 2D setting, we present generic algorithms that achieve a high reconstruction quality even if the specified data is very sparse. To optimise the spatial data, we use a probabilistic sparsification, followed by a nonlocal pixel exchange that avoids getting trapped in bad local optima. After this spatial optimisation we perform a tonal optimisation that modifies the function values in order to reduce the global reconstruction error. For homogeneous diffusion inpainting, this comes down to a least squares problem for which we prove that it has a unique solution. We demonstrate that it can be found efficiently with a gradient descent approach that is accelerated with fast explicit diffusion (FED) cycles. Our framework allows to specify the desired density of the inpainting mask a priori. Moreover, is more generic than other data optimisation approaches for the sparse inpainting problem, since it can also be extended to nonlinear inpainting operators such as EED. This is exploited to achieve reconstructions with state-of-the-art quality. We also give an extensive literature survey on PDE-based image compression methods

Grid generation for the solution of partial differential equations

A general survey of grid generators is presented with a concern for understanding why grids are necessary, how they are applied, and how they are generated. After an examination of the need for meshes, the overall applications setting is established with a categorization of the various connectivity patterns. This is split between structured grids and unstructured meshes. Altogether, the categorization establishes the foundation upon which grid generation techniques are developed. The two primary categories are algebraic techniques and partial differential equation techniques. These are each split into basic parts, and accordingly are individually examined in some detail. In the process, the interrelations between the various parts are accented. From the established background in the primary techniques, consideration is shifted to the topic of interactive grid generation and then to adaptive meshes. The setting for adaptivity is established with a suitable means to monitor severe solution behavior. Adaptive grids are considered first and are followed by adaptive triangular meshes. Then the consideration shifts to the temporal coupling between grid generators and PDE-solvers. To conclude, a reflection upon the discussion, herein, is given

Solution of partial differential equations on vector and parallel computers

The present status of numerical methods for partial differential equations on vector and parallel computers was reviewed. The relevant aspects of these computers are discussed and a brief review of their development is included, with particular attention paid to those characteristics that influence algorithm selection. Both direct and iterative methods are given for elliptic equations as well as explicit and implicit methods for initial boundary value problems. The intent is to point out attractive methods as well as areas where this class of computer architecture cannot be fully utilized because of either hardware restrictions or the lack of adequate algorithms. Application areas utilizing these computers are briefly discussed

Hybrid Analog-Digital Co-Processing for Scientific Computation

In the past 10 years computer architecture research has moved to more heterogeneity and less adherence to conventional abstractions. Scientists and engineers hold an unshakable belief that computing holds keys to unlocking humanity's Grand Challenges. Acting on that belief they have looked deeper into computer architecture to find specialized support for their applications. Likewise, computer architects have looked deeper into circuits and devices in search of untapped performance and efficiency. The lines between computer architecture layers---applications, algorithms, architectures, microarchitectures, circuits and devices---have blurred. Against this backdrop, a menagerie of computer architectures are on the horizon, ones that forgo basic assumptions about computer hardware, and require new thinking of how such hardware supports problems and algorithms. This thesis is about revisiting hybrid analog-digital computing in support of diverse modern workloads. Hybrid computing had extensive applications in early computing history, and has been revisited for small-scale applications in embedded systems. But architectural support for using hybrid computing in modern workloads, at scale and with high accuracy solutions, has been lacking. I demonstrate solving a variety of scientific computing problems, including stochastic ODEs, partial differential equations, linear algebra, and nonlinear systems of equations, as case studies in hybrid computing. I solve these problems on a system of multiple prototype analog accelerator chips built by a team at Columbia University. On that team I made contributions toward programming the chips, building the digital interface, and validating the chips' functionality. The analog accelerator chip is intended for use in conjunction with a conventional digital host computer. The appeal and motivation for using an analog accelerator is efficiency and performance, but it comes with limitations in accuracy and problem sizes that we have to work around. The first problem is how to do problems in this unconventional computation model. Scientific computing phrases problems as differential equations and algebraic equations. Differential equations are a continuous view of the world, while algebraic equations are a discrete one. Prior work in analog computing mostly focused on differential equations; algebraic equations played a minor role in prior work in analog computing. The secret to using the analog accelerator to support modern workloads on conventional computers is that these two viewpoints are interchangeable. The algebraic equations that underlie most workloads can be solved as differential equations, and differential equations are naturally solvable in the analog accelerator chip. A hybrid analog-digital computer architecture can focus on solving linear and nonlinear algebra problems to support many workloads. The second problem is how to get accurate solutions using hybrid analog-digital computing. The reason that the analog computation model gives less accurate solutions is it gives up representing numbers as digital binary numbers, and instead uses the full range of analog voltage and current to represent real numbers. Prior work has established that encoding data in analog signals gives an energy efficiency advantage as long as the analog data precision is limited. While the analog accelerator alone may be useful for energy-constrained applications where inputs and outputs are imprecise, we are more interested in using analog in conjunction with digital for precise solutions. This thesis gives novel insight that the trick to do so is to solve nonlinear problems where low-precision guesses are useful for conventional digital algorithms. The third problem is how to solve large problems using hybrid analog-digital computing. The reason the analog computation model can't handle large problems is it gives up step-by-step discrete-time operation, instead allowing variables to evolve smoothly in continuous time. To make that happen the analog accelerator works by chaining hardware for mathematical operations end-to-end. During computation analog data flows through the hardware with no overheads in control logic and memory accesses. The downside is then the needed hardware size grows alongside problem sizes. While scientific computing researchers have for a long time split large problems into smaller subproblems to fit in digital computer constraints, this thesis is a first attempt to consider these divide-and-conquer algorithms as an essential tool in using the analog model of computation. As we enter the post-Moore’s law era of computing, unconventional architectures will offer specialized models of computation that uniquely support specific problem types. Two prominent examples are deep neural networks and quantum computers. Recent trends in computer science research show these unconventional architectures will soon have broad adoption. In this thesis I show another specialized, unconventional architecture is to use analog accelerators to solve problems in scientific computing. Computer architecture researchers will discover other important models of computation in the future. This thesis is an example of the discovery process, implementation, and evaluation of how an unconventional architecture supports specialized workloads

Constraint-consistent Runge-Kutta methods for one-dimensional incompressible multiphase flow

New time integration methods are proposed for simulating incompressible multiphase flow in pipelines described by the one-dimensional two-fluid model. The methodology is based on 'half-explicit' Runge-Kutta methods, being explicit for the mass and momentum equations and implicit for the volume constraint. These half-explicit methods are constraint-consistent, i.e., they satisfy the hidden constraints of the two-fluid model, namely the volumetric flow (incompressibility) constraint and the Poisson equation for the pressure. A novel analysis shows that these hidden constraints are present in the continuous, semi-discrete, and fully discrete equations. Next to constraint-consistency, the new methods are conservative: the original mass and momentum equations are solved, and the proper shock conditions are satisfied; efficient: the implicit constraint is rewritten into a pressure Poisson equation, and the time step for the explicit part is restricted by a CFL condition based on the convective wave speeds; and accurate: achieving high order temporal accuracy for all solution components (masses, velocities, and pressure). High-order accuracy is obtained by constructing a new third order Runge-Kutta method that satisfies the additional order conditions arising from the presence of the constraint in combination with time-dependent boundary conditions. Two test cases (Kelvin-Helmholtz instabilities in a pipeline and liquid sloshing in a cylindrical tank) show that for time-independent boundary conditions the half-explicit formulation with a classic fourth-order Runge-Kutta method accurately integrates the two-fluid model equations in time while preserving all constraints. A third test case (ramp-up of gas production in a multiphase pipeline) shows that our new third order method is preferred for cases featuring time-dependent boundary conditions