State-of-the-art in aerodynamic shape optimisation methods

Aerodynamic optimisation has become an indispensable component for any aerodynamic design over the past 60 years, with applications to aircraft, cars, trains, bridges, wind turbines, internal pipe flows, and cavities, among others, and is thus relevant in many facets of technology. With advancements in computational power, automated design optimisation procedures have become more competent, however, there is an ambiguity and bias throughout the literature with regards to relative performance of optimisation architectures and employed algorithms. This paper provides a well-balanced critical review of the dominant optimisation approaches that have been integrated with aerodynamic theory for the purpose of shape optimisation. A total of 229 papers, published in more than 120 journals and conference proceedings, have been classified into 6 different optimisation algorithm approaches. The material cited includes some of the most well-established authors and publications in the field of aerodynamic optimisation. This paper aims to eliminate bias toward certain algorithms by analysing the limitations, drawbacks, and the benefits of the most utilised optimisation approaches. This review provides comprehensive but straightforward insight for non-specialists and reference detailing the current state for specialist practitioners

Efficient Multigrid Preconditioners for Atmospheric Flow Simulations at High Aspect Ratio

Many problems in fluid modelling require the efficient solution of highly anisotropic elliptic partial differential equations (PDEs) in "flat" domains. For example, in numerical weather- and climate-prediction an elliptic PDE for the pressure correction has to be solved at every time step in a thin spherical shell representing the global atmosphere. This elliptic solve can be one of the computationally most demanding components in semi-implicit semi-Lagrangian time stepping methods which are very popular as they allow for larger model time steps and better overall performance. With increasing model resolution, algorithmically efficient and scalable algorithms are essential to run the code under tight operational time constraints. We discuss the theory and practical application of bespoke geometric multigrid preconditioners for equations of this type. The algorithms deal with the strong anisotropy in the vertical direction by using the tensor-product approach originally analysed by B\"{o}rm and Hiptmair [Numer. Algorithms, 26/3 (2001), pp. 219-234]. We extend the analysis to three dimensions under slightly weakened assumptions, and numerically demonstrate its efficiency for the solution of the elliptic PDE for the global pressure correction in atmospheric forecast models. For this we compare the performance of different multigrid preconditioners on a tensor-product grid with a semi-structured and quasi-uniform horizontal mesh and a one dimensional vertical grid. The code is implemented in the Distributed and Unified Numerics Environment (DUNE), which provides an easy-to-use and scalable environment for algorithms operating on tensor-product grids. Parallel scalability of our solvers on up to 20,480 cores is demonstrated on the HECToR supercomputer.Comment: 22 pages, 6 Figures, 2 Table

Connecting mathematical models for image processing and neural networks

This thesis deals with the connections between mathematical models for image processing and deep learning. While data-driven deep learning models such as neural networks are flexible and well performing, they are often used as a black box. This makes it hard to provide theoretical model guarantees and scientific insights. On the other hand, more traditional, model-driven approaches such as diffusion, wavelet shrinkage, and variational models offer a rich set of mathematical foundations. Our goal is to transfer these foundations to neural networks. To this end, we pursue three strategies. First, we design trainable variants of traditional models and reduce their parameter set after training to obtain transparent and adaptive models. Moreover, we investigate the architectural design of numerical solvers for partial differential equations and translate them into building blocks of popular neural network architectures. This yields criteria for stable networks and inspires novel design concepts. Lastly, we present novel hybrid models for inpainting that rely on our theoretical findings. These strategies provide three ways for combining the best of the two worlds of model- and data-driven approaches. Our work contributes to the overarching goal of closing the gap between these worlds that still exists in performance and understanding.Gegenstand dieser Arbeit sind die Zusammenhänge zwischen mathematischen Modellen zur Bildverarbeitung und Deep Learning. Während datengetriebene Modelle des Deep Learning wie z.B. neuronale Netze flexibel sind und gute Ergebnisse liefern, werden sie oft als Black Box eingesetzt. Das macht es schwierig, theoretische Modellgarantien zu liefern und wissenschaftliche Erkenntnisse zu gewinnen. Im Gegensatz dazu bieten traditionellere, modellgetriebene Ansätze wie Diffusion, Wavelet Shrinkage und Variationsansätze eine Fülle von mathematischen Grundlagen. Unser Ziel ist es, diese auf neuronale Netze zu übertragen. Zu diesem Zweck verfolgen wir drei Strategien. Zunächst entwerfen wir trainierbare Varianten von traditionellen Modellen und reduzieren ihren Parametersatz, um transparente und adaptive Modelle zu erhalten. Außerdem untersuchen wir die Architekturen von numerischen Lösern für partielle Differentialgleichungen und übersetzen sie in Bausteine von populären neuronalen Netzwerken. Daraus ergeben sich Kriterien für stabile Netzwerke und neue Designkonzepte. Schließlich präsentieren wir neuartige hybride Modelle für Inpainting, die auf unseren theoretischen Erkenntnissen beruhen. Diese Strategien bieten drei Möglichkeiten, das Beste aus den beiden Welten der modell- und datengetriebenen Ansätzen zu vereinen. Diese Arbeit liefert einen Beitrag zum übergeordneten Ziel, die Lücke zwischen den zwei Welten zu schließen, die noch in Bezug auf Leistung und Modellverständnis besteht.ERC Advanced Grant INCOVI

Chaste: a test-driven approach to software development for biological modelling

Chaste (‘Cancer, heart and soft-tissue environment’) is a software library and a set of test suites for computational simulations in the domain of biology. Current functionality has arisen from modelling in the fields of cancer, cardiac physiology and soft-tissue mechanics. It is released under the LGPL 2.1 licence.\ud \ud Chaste has been developed using agile programming methods. The project began in 2005 when it was reasoned that the modelling of a variety of physiological phenomena required both a generic mathematical modelling framework, and a generic computational/simulation framework. The Chaste project evolved from the Integrative Biology (IB) e-Science Project, an inter-institutional project aimed at developing a suitable IT infrastructure to support physiome-level computational modelling, with a primary focus on cardiac and cancer modelling

Automated cache optimisations of stencil computations for partial differential equations

This thesis focuses on numerical methods that solve partial differential equations. Our focal point is the finite difference method, which solves partial differential equations by approximating derivatives with explicit finite differences. These partial differential equation solvers consist of stencil computations on structured grids. Stencils for computing real-world practical applications are patterns often characterised by many memory accesses and non-trivial arithmetic expressions that lead to high computational costs compared to simple stencils used in much prior proof-of-concept work. In addition, the loop nests to express stencils on structured grids may often be complicated. This work is highly motivated by a specific domain of stencil computations where one of the challenges is non-aligned to the structured grid ("off-the-grid") operations. These operations update neighbouring grid points through scatter and gather operations via non-affine memory accesses, such as {A[B[i]]}. In addition to this challenge, these practical stencils often include many computation fields (need to store multiple grid copies), complex data dependencies and imperfect loop nests. In this work, we aim to increase the performance of stencil kernel execution. We study automated cache-memory-dependent optimisations for stencil computations. This work consists of two core parts with their respective contributions.The first part of our work tries to reduce the data movement in stencil computations of practical interest. Data movement is a dominant factor affecting the performance of high-performance computing applications. It has long been a target of optimisations due to its impact on execution time and energy consumption. This thesis tries to relieve this cost by applying temporal blocking optimisations, also known as time-tiling, to stencil computations. Temporal blocking is a well-known technique to enhance data reuse in stencil computations. However, it is rarely used in practical applications but rather in theoretical examples to prove its efficacy. Applying temporal blocking to scientific simulations is more complex. More specifically, in this work, we focus on the application context of seismic and medical imaging. In this area, we often encounter scatter and gather operations due to signal sources and receivers at arbitrary locations in the computational domain. These operations make the application of temporal blocking challenging. We present an approach to overcome this challenge and successfully apply temporal blocking.In the second part of our work, we extend the first part as an automated approach targeting a wide range of simulations modelled with partial differential equations. Since temporal blocking is error-prone, tedious to apply by hand and highly complex to assimilate theoretically and practically, we are motivated to automate its application and automatically generate code that benefits from it. We discuss algorithmic approaches and present a generalised compiler pipeline to automate the application of temporal blocking. These passes are written in the Devito compiler. They are used to accelerate the computation of stencil kernels in areas such as seismic and medical imaging, computational fluid dynamics and machine learning. \href{www.devitoproject.org}{Devito} is a Python package to implement optimised stencil computation (e.g., finite differences, image processing, machine learning) from high-level symbolic problem definitions. Devito builds on \href{www.sympy.org}{SymPy} and employs automated code generation and just-in-time compilation to execute optimised computational kernels on several computer platforms, including CPUs, GPUs, and clusters thereof. We show how we automate temporal blocking code generation without user intervention and often achieve better time-to-solution. We enable domain-specific optimisation through compiler passes and offer temporal blocking gains from a high-level symbolic abstraction. These automated optimisations benefit various computational kernels for solving real-world application problems.Open Acces