Forthcoming events in this series


Thu, 09 Feb 2012

14:00 - 15:00
Rutherford Appleton Laboratory, nr Didcot

Efficient, communication-minimizing algorithms for the symmetric eigenvalue decomposition and the singular value decomposition

Dr Yuji Nakatsukasa
(University of Manchester)
Abstract

Computing the eigenvalue decomposition of a symmetric matrix and the singular value decomposition of a general matrix are two of the central tasks in numerical linear algebra. There has been much recent work in the development of linear algebra algorithms that minimize communication cost. However, the reduction in communication cost sometimes comes at the expense of significantly more arithmetic and potential instability.

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In this talk I will describe algorithms for the two decompositions that have optimal communication cost and arithmetic cost within a small factor of those for the best known algorithms. The key idea is to use the best rational approximation of the sign function, which lets the algorithm converge in just two steps. The algorithms are backward stable and easily parallelizable. Preliminary numerical experiments demonstrate their efficiency.

Thu, 02 Feb 2012

14:00 - 15:00
Gibson Grd floor SR

Optimal Newton-type methods for nonconvex smooth optimization

Dr Coralia Cartis
(University of Edinburgh)
Abstract

We show that the steepest-descent and Newton's methods for unconstrained nonconvex optimization

under standard assumptions may both require a number of iterations and function evaluations

arbitrarily close to the steepest-descent's global worst-case complexity bound. This implies that

the latter upper bound is essentially tight for steepest descent and that Newton's method may be as

slow as the steepest-descent method in the worst case. Then the cubic regularization of Newton's

method (Griewank (1981), Nesterov & Polyak (2006)) is considered and extended to large-scale

problems, while preserving the same order of its improved worst-case complexity (by comparison to

that of steepest-descent); this improved worst-case bound is also shown to be tight. We further

show that the cubic regularization approach is, in fact, optimal from a worst-case complexity point

of view amongst a wide class of second-order methods. The worst-case problem-evaluation complexity

of constrained optimization will also be discussed. This is joint work with Nick Gould (Rutherford

Appleton Laboratory, UK) and Philippe Toint (University of Namur, Belgium).

Thu, 26 Jan 2012

14:00 - 15:00
Gibson Grd floor SR

Interior Point warmstarts and stochastic programming

Dr Andreas Grothey
(University of Edinburgh)
Abstract

We present progress on an Interior Point based multi-step solution approach for stochastic programming problems. Our approach works with a series of scenario trees that can be seen as successively more accurate discretizations of an underlying probability distribution and employs IPM warmstarts to "lift" approximate solutions from one tree to the next larger tree.

Thu, 12 Jan 2012

14:00 - 15:00
Gibson Grd floor SR

Spectral decompositions and nonnormality of boundary integral operators in acoustic scattering

Dr Timo Betcke
(University College London)
Abstract

Nonnormality is a well studied subject in the context of partial differential operators. Yet, only little is known for boundary integral operators. The only well studied case is the unit ball, where the standard single layer, double layer and conjugate double layer potential operators in acoustic scattering diagonalise in a unitary basis. In this talk we present recent results for the analysis of spectral decompositions and nonnormality of boundary integral operators on more general domains. One particular application is the analysis of stability constants for boundary element discretisations. We demonstrate how these are effected by nonnormality and give several numerical examples, illustrating these issues on various domains.

Thu, 05 Jan 2012

11:30 - 12:30
Gibson 1st Floor SR

Orthogonality and stability in large matrix iterative algorithms

Professor Chris Paige
(McGill University)
Abstract

Many iterative algorithms for large sparse matrix problems are based on orthogonality (or $A$-orthogonality, bi-orthogonality, etc.), but these properties can be lost very rapidly using vector orthogonalization (subtracting multiples of earlier supposedly orthogonal vectors from the latest vector to produce the next orthogonal vector). Yet many of these algorithms are some of the best we have for very large sparse problems, such as Conjugate Gradients, Lanczos' method for the eigenproblem, Golub and Kahan bidiagonalization, and MGS-GMRES.

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Here we describe an ideal form of orthogonal matrix that arises from any sequence of supposedly orthogonal vectors. We illustrate some of its fascinating properties, including a beautiful measure of orthogonality of the original set of vectors. We will indicate how the ideal orthogonal matrix leads to expressions for new concepts of stability of such iterative algorithm. These are expansions of the concept of backward stability for matrix transformation algorithms that was so effectively developed and applied by J. H. Wilkinson (FRS). The resulting new expressions can be used to understand the subtle and effective performance of some (and hopefully eventually all) of these iterative algorithms.

Thu, 01 Dec 2011

14:00 - 15:00
Gibson Grd floor SR

Climate, Assimilation of Data and Models - When Data Fail Us

Prof Juan Restrepo
(University of Arizona)
Abstract

The fundamental task in climate variability research is to eke

out structure from climate signals. Ideally we want a causal

connection between a physical process and the structure of the

signal. Sometimes we have to settle for a correlation between

these. The challenge is that the data is often poorly

constrained and/or sparse. Even though many data gathering

campaigns are taking place or are being planned, the very high

dimensional state space of the system makes the prospects of

climate variability analysis from data alone impractical.

Progress in the analysis is possible by the use of models and

data. Data assimilation is one such strategy. In this talk we

will describe the methodology, illustrate some of its

challenges, and highlight some of the ways our group has

proposed to improving the methodology.

Thu, 24 Nov 2011

14:00 - 15:00
Gibson Grd floor SR

Energy-law preserving continuous finite element methods for simulation of liquid crystal and multi-phase flows

Prof Ping Lin
(University of Dundee)
Abstract

The liquid crystal (LC) flow model is a coupling between

orientation (director field) of LC molecules and a flow field.

The model may probably be one of simplest complex fluids and

is very similar to a Allen-Cahn phase field model for

multiphase flows if the orientation variable is replaced by a

phase function. There are a few large or small parameters

involved in the model (e.g. the small penalty parameter for

the unit length LC molecule or the small phase-change

parameter, possibly large Reynolds number of the flow field,

etc.). We propose a C^0 finite element formulation in space

and a modified midpoint scheme in time which accurately

preserves the inherent energy law of the model. We use C^0

elements because they are simpler than existing C^1 element

and mixed element methods. We emphasise the energy law

preservation because from the PDE analysis point of view the

energy law is very important to correctly catch the evolution

of singularities in the LC molecule orientation. In addition

we will see numerical examples that the energy law preserving

scheme performs better under some choices of parameters. We

shall apply the same idea to a Cahn-Hilliard phase field model

where the biharmonic operator is decomposed into two Laplacian

operators. But we find that under our scheme non-physical

oscillation near the interface occurs. We figure out the

reason from the viewpoint of differential algebraic equations

and then remove the non-physical oscillation by doing only one

step of a modified backward Euler scheme at the initial time.

A number of numerical examples demonstrate the good

performance of the method. At the end of the talk we will show

how to apply the method to compute a superconductivity model,

especially at the regime of Hc2 or beyond. The talk is based

on a few joint papers with Chun Liu, Qi Wang, Xingbin Pan and

Roland Glowinski, etc.

Thu, 17 Nov 2011

14:00 - 15:00
Rutherford Appleton Laboratory, nr Didcot

Data assimilation using reduced order modelling for unstable systems

Prof Nancy Nichols
(University of Reading)
Abstract

Variational data assimilation techniques for optimal state estimation in very large environmental systems currently use approximate Gauss-Newton (GN) methods. The GN method solves a sequence of linear least squares problems subject to linearized system constraints. For very large systems, low resolution linear approximations to the model dynamics are used to improve the efficiency of the algorithm. We propose a new approach for deriving low order system approximations based on model reduction techniques from control theory which can be applied to unstable stochastic systems. We show how this technique can be combined with the GN method to retain the response of the dynamical system more accurately and improve the performance of the approximate GN method.

Thu, 10 Nov 2011

14:00 - 15:00
Gibson Grd floor SR

SOPHY: An Automated, Aerothermal Design and Optimisation System for Aero-Engine Components

Dr Shahrokh Shahpar
(Rolls Royce plc.)
Abstract

Computational Fluid Dynamics (CFD) has become an

indispensable tool in designing turbomachinery components in all sectors of

Rolls-Royce business units namely, Aerospace, Industrial, Marine and Nuclear.

Increasingly sophisticated search and optimisation techniques are used based on

both traditional optimisation methods as well as, design of computer experiment

techniques, advanced surrogate methods, and evolutionary optimisation

techniques. Geometry and data representation as well as access, queuing and

loading control of large high performance computing clusters are areas of

research to establish the most efficient techniques for improving the

performance of an already highly efficient modern jet engine.

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This presentation focuses on a high fidelity design

optimisation framework called SOPHY that is used in Rolls-Royce to provide

parametric geometry, automatic meshing, advanced design-space search

algorithms, accurate and robust CFD methodology and post-processing. The

significance of including the so-called real geometry features and interaction

of turbomachinery components in the optimisation cycle are discussed. Examples are drawn from real world

applications of the SOPHY design systems in an engine project.

Thu, 03 Nov 2011

14:00 - 15:00
Rutherford Appleton Laboratory, nr Didcot

On hypergraph partitioning based ordering methods for sparse matrix factorization

Dr Bora Ucar
(ENS Lyon)
Abstract

We will discuss the use of hypergraph-based methods for orderings of sparse matrices in Cholesky, LU and QR factorizations. For the Cholesky factorization case, we will investigate a recent result on pattern-wise decomposition of sparse matrices, generalize the result and develop algorithmic tools to obtain effective ordering methods. We will also see that the generalized results help us formulate the ordering problem in LU much like we do for the Cholesky case, without ever symmetrizing the given matrix $A$ as $A+A^{T}$ or $A^{T}A$. For the QR factorization case, the use of hypergraph models is fairly standard. We will nonetheless highlight the fact that the method again does not form the possibly much denser matrix $A^{T}A$. We will see comparisons of the hypergraph-based methods with the most common alternatives in all three cases.

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This is joint work with Iain S. Duff.

Thu, 27 Oct 2011

14:00 - 15:00
Gibson Grd floor SR

Writing the matrix adjoint as a rational function in the matrix can be interesting

Prof Joerg Liesen
(Technical University of Berlin)
Abstract

We will study the question of whether the adjoint of a given matrix can be written as a rational function in the matrix. After showing necessary and sufficient conditions, rational interpolation theory will help to characterize the most important existing cases. Several topics related to our question will be explored. They range from short recurrence Krylov subspace methods to the roots of harmonic polynomials and harmonic rational functions. The latter have recently found interesting applications in astrophysics, which will briefly be discussed as well.

Thu, 13 Oct 2011

14:00 - 15:00
Gibson Grd floor SR

Efficiency of serial and parallel block-coordinate descent methods for minimizing composite functions

Dr Peter Richtárik
(University of Edinburgh)
Abstract

We develop a randomized block-coordinate descent method for minimizing the sum of a smooth and a simple nonsmooth block-separable convex function and prove that it obtains an $\epsilon$-accurate solution with probability at least $1-\rho$ in at most $O[(2n/\epsilon)\log(1/\rho)]$ iterations, where $n$ is the dimension of the problem. For strongly convex functions the method converges linearly. This extends recent results of Nesterov [Efficiency of coordinate descent methods on huge-scale optimization problems, CORE Discussion Paper \#2010/2], which cover the smooth case, to composite minimization, while at the same time improving the complexity by the factor of 4 and removing $\epsilon$ from the logarithm. More importantly, in contrast with the aforementioned work in which the authors achieve the results by applying their method to a regularized version of the objective function with an unknown scaling factor, we show that this is not necessary, thus achieving true iteration complexity bounds. In the smooth case we also allow for arbitrary probability vectors and non-Euclidean norms. Time permitting, we will also mention new iteration complexity results for a parallel version of the method.

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In the second part of the talk we demonstrate numerically that the algorithm is able to solve huge-scale $\ell_1$-regularized support vector machine and least squares problems with billion variables. Finally, we present preliminary computational results with a GPU-accelerated parallel version of the method, on truss topology design instances, achieving speedups of up to two orders of magnitude when compared to a single-core implementation in C.

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References:

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P. Richtarik and M. Takac, Iteration complexity of randomized block-coordinate descent methods for minimizing a composite function, 2011; http://arxiv.org/abs/1107.2848

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P. Richtarik and M. Takac, Efficient serial and parallel coordinate descent methods for huge-scale truss topology design, 2011; http://www.optimization-online.org/DB_HTML/2011/08/3118.html

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P. Richtarik and M. Takac, Efficiency of randomized coordinate descent methods on minimization problems with a composite objective function, Proceedings of SPARS11

Thu, 06 Oct 2011

14:00 - 15:00
Gibson Grd floor SR

The numerical computation of violent liquid motion

Prof Frederic Dias
(University College Dublin and ENS Cachan)
Abstract

Liquid impact is a key issue in various industrial applications (seawalls, offshore structures, breakwaters, sloshing in tanks of liquefied natural gas vessels, wave energy converters, offshore wind turbines, etc). Numerical simulations dealing with these applications have been performed by many groups, using various types of numerical methods. In terms of the numerical results, the outcome is often impressive, but the question remains of how relevant these results are when it comes to determining impact pressures. The numerical models are too simplified to reproduce the high variability of the measured pressures. In fact, for the time being, it is not possible to simulate accurately both global and local effects. Unfortunately it appears that local effects predominate over global effects when the behaviour of pressures is considered.

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Having said this, it is important to point out that numerical studies can be quite useful to perform sensitivity analyses in idealized conditions such as a liquid mass falling under gravity on top of a horizontal wall and then spreading along the lateral sides. Simple analytical models inspired by numerical results on idealized problems can also be useful to predict trends.

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The talk is organized as follows: After an introduction on some of the industrial applications, it will be explained to what extent numerical studies can be used to improve our understanding of impact pressures. Results on a liquid mass hitting a wall obtained by various numerical codes will be shown.

Thu, 23 Jun 2011

14:00 - 15:00
Gibson Grd floor SR

RBFs on Spheres

Prof Holger Wendland
(University of Oxford)
Abstract

In this talk, I will discuss various aspects of approximation by radial basis functions on spheres. After a short introduction to the subject of scattered data approximation on spheres and optimal recovery, I will particularly talk about error analysis, a hybrid approximation scheme involving polynomials and radial basis functions and, if time permits, solving nonlinear parabolic equations on spheres.

Thu, 16 Jun 2011

14:00 - 15:00
Gibson Grd floor SR

none

none
Abstract

there will be no seminar in this week.

Thu, 09 Jun 2011

14:00 - 15:00
Gibson Grd floor SR

Several kinds of Chebyshev polynomials in higher dimensions

Dr Daan Huybrechs
(Catholic University of Leuven)
Abstract

Chebyshev polynomials are arguably the most useful orthogonal polynomials for computational purposes. In one dimension they arise from the close relationship that exists between Fourier series and polynomials. We describe how this relationship generalizes to Fourier series on certain symmetric lattices, that exist in all dimensions. The associated polynomials can not be seen as tensor-product generalizations of the one-dimensional case. Yet, they still enjoy excellent properties for interpolation, integration, and spectral approximation in general, with fast FFT-based algorithms, on a variety of domains. The first interesting case is the equilateral triangle in two dimensions (almost). We further describe the generalization of Chebyshev polynomials of the second kind, and many new kinds are found when the theory is completed. Connections are made to Laplacian eigenfunctions, representation theory of finite groups, and the Gibbs phenomenon in higher dimensions.

Thu, 02 Jun 2011

14:00 - 15:00
Gibson Grd floor SR

Analysis of a multiscale method for nonlinear nonmonotone elliptic problems

Prof Assyr Abdulle
(Ecole Polytechnique Federale de Lausanne)
Abstract

Following the framework of the heterogeneous multiscale method, we present a numerical method for nonlinear elliptic homogenization problems. We briefly review the numerical, relying on an efficient coupling of macro and micro solvers, for linear problems. A fully discrete analysis is then given for nonlinear (nonmonotone) problems, optimal convergence rates in the H1 and L2 norms are derived and the uniqueness of the method is shown on sufficiently fine macro and micro meshes.

Numerical examples confirm the theoretical convergence rates and illustrate the performance and versatility of our approach.

Thu, 26 May 2011

14:00 - 15:00
Gibson Grd floor SR

IDR -- A New Class of Krylov Subspace Solvers: Benefits and Drawbacks

Dr Jens-Peter Zemke
(Hamburg-Harburg University of Technology)
Abstract

This talk is about the Induced Dimension Reduction (IDR) methods developed by Peter Sonneveld and, more recently, Martin van Gijzen. We sketch the history, outline the underlying principle, and give a few details about different points of view on this class of Krylov subspace methods. If time permits, we briefly outline some recent developments in this field and the benefits and drawbacks of these and IDR methods in general.

Thu, 19 May 2011

14:00 - 15:00
Gibson Grd floor SR

Modelling and simulation of the self-assembly of thin solid films

Dr Maciek Korzec
(Technical University of Berlin)
Abstract

Many continuum models have been derived in recent years which describe the self-assembly of industrially utilisable crystalline films to a level of detail that allows qualitative comparisons with experiments. For thin-film problems, where the characteristic length scales in vertical and horizontal directions differ significantly, the governing surface diffusion equations can be reduced to simpler PDEs by making use of asymptotic expansions. Many mathematical problems and solutions emerge from such new evolution equations and many of them remind of Cahn-Hilliard type equations. The surface diffusion models are of high, of fourth or even sixth, order.

We present the modeling, model reduction and simulation results for heteroepitaxial growth as for Ge/Si quantum dot self-assembly. The numerical methods we are using are based on trigonometric interpolation. These kind of pseudospectral methods seem very well suited for simulating the coarsening of large quantum dot arrays. When the anisotropy of the growing crystalline film is strong, it might become necessary to add a corner regularisation to the model. Then the transition region between neighboring facets is still smooth, but its scale is rather small. In this case it might be useful to think about an adaptive extension of the existing method.

Figure 1: Ostwald ripening process of quantum dots depicted at consecutive time points. One fourth of the whole, periodic, simulated domain is shown.

Joint work with Peter Evans and Barbara Wagner

Thu, 12 May 2011

14:00 - 15:00
Rutherford Appleton Laboratory, nr Didcot

Uncertainty Analysis for Flow of an Incompressible Fluid in a Sudden Expansion in Two-Dimensional Channel

Prof Andrew Cliffe
(University of Nottingham)
Abstract

This seminar will be held at the Rutherford Appleton Laboratory near Didcot.

Abstract:

Numerical calculations of laminar flow in a two-dimensional channel with a sudden expansion exhibit a symmetry-breaking bifurcation at Reynolds number 40.45 when the expansion ratio is 3:1. In the experiments reported by Fearn, Mullin and Cliffe [1] there is a large perturbation to this bifurcation and the agreement with the numerical calculations is surprisingly poor. Possible reasons for this discrepancy are explored using modern techniques for uncertainty quantification.

When experimental equipment is constructed there are, inevitably, small manufacturing imperfections that can break the symmetry in the apparatus. In this work we considered a simple model for these imperfections. It was assumed that the inlet section of the channel was displaced by a small amount and that the centre line of the inlet section was not parallel to the centre line of the outlet section. Both imperfections were modelled as normal random variables with variance equal to the manufacturing tolerance. Thus the problem to be solved is the Navier-Stokes equations in a geometry with small random perturbations. A co-ordinate transformation technique was used to transform the problem to a fixed deterministic domain but with random coefficient appearing in the transformed Navier-Stokes equations. The resulting equations were solved using a stochastic collocation technique that took into account the fact that the problem has a discontinuity in parameter space arising from the bifurcation structure in the problem.

The numerical results are in the form of an approximation to a probability measure on the set of bifurcation diagrams. The experimental data of Fearn, Mullin and Cliffe are consistent with the computed solutions, so it appears that a satisfactory explanation for the large perturbation can be provided by manufacturing imperfections in the experimental apparatus.

The work demonstrates that modern methods for uncertainty quantification can be applied successfully to a bifurcation problem arising in fluid mechanics. It should be possible to apply similar techniques to a wide range of bifurcation problems in fluid mechanics in the future.

References:

[1] R M Fearn, T Mullin and K A Cliffe Nonlinear flow phenomena in a symmetric sudden expansion, J. Fluid Mech. 211, 595-608, 1990.

Thu, 05 May 2011

14:00 - 15:00
Gibson Grd floor SR

Multilevel Monte Carlo method

Prof Mike Giles
(University of Oxford)
Abstract

Please note that this is a short notice change from the originally advertised talk by Dr Shahrokh Shahpar (Rolls-Royce plc.)

The new talk "Multilevel Monte Carlo method" is given by Mike Giles, Oxford-Man Institute of Quantitative Finance, Mathematical Institute, University of Oxford.

Joint work with Rob Scheichl, Aretha Teckentrup (Bath) and Andrew Cliffe (Nottingham)

Thu, 28 Apr 2011

14:00 - 15:00
Gibson Grd floor SR

An Overview of Adaptive Mesh Generation and Variational Methods

Prof Bob Russell
(Simon Fraser University)
Abstract

Over the last several decades, many mesh generation methods and a plethora of adaptive methods for solving differential equations have been developed.  In this talk, we take a general approach for describing the mesh generation problem, which can be considered as being in some sense equivalent to determining a coordinate transformation between physical space and a computational space.  Our description provides some new theoretical insights into precisely what is accomplished from mesh equidistribution (which is a standard adaptivity tool used in practice) and mesh alignment.  We show how variational mesh generation algorithms, which have historically been the most common and important ones, can generally be compared using these mesh generation principles.  Lastly, we relate these to a variety of moving mesh methods for solving time-dependent PDEs.

This is joint work with Weizhang Huang, Kansas University

Thu, 10 Mar 2011

14:00 - 15:00
Rutherford Appleton Laboratory, nr Didcot

Optimal Iterative Solvers for Saddle Point Problems

Prof David Silvester
(University of Manchester)
Abstract

In this talk we discuss the design of efficient numerical methods for solving symmetric indefinite linear systems arising from mixed approximation of elliptic PDE problems with associated constraints. Examples include linear elasticity (Navier-Lame equations), steady fluid flow (Stokes' equations) and electromagnetism (Maxwell's equations).

The novel feature of our iterative solution approach is the incorporation of error control in the natural "energy" norm in combination with an a posteriori estimator for the PDE approximation error. This leads to a robust and optimally efficient stopping criterion: the iteration is terminated as soon as the algebraic error is insignificant compared to the approximation error. We describe a "proof of concept" MATLAB implementation of this algorithm, which we call EST_MINRES, and we illustrate its effectiveness when integrated into our Incompressible Flow Iterative Solution Software (IFISS) package (http://www.manchester.ac.uk/ifiss/).

Thu, 03 Mar 2011

14:00 - 15:00
Gibson Grd floor SR

Analytical Results on the PAUSE Auction Procedure

Dr Selin Damla Ahipasaoglu
(London School of Economics)
Abstract

In this talk, we focus on the analytical properties of a decentralized auction, namely the PAUSE Auction Procedure. We prove that the revenue of the auctioneer from PAUSE is greater than or equal to the profit from the well-known VCG auction when there are only two bidders and provide lower bounds on the profit for arbitrary number of bidders. Based on these bounds and observations from auctions with few items, we propose a modification of the procedure that increases the profit. We believe that this study, which is still in progress, will be a milestone in designing better decentralized auctions since it is the first analytical study on such auctions with promising results.

Thu, 24 Feb 2011

14:00 - 15:00
Gibson Grd floor SR

Iterative Valid Polynomial Inequalities Generation for Polynomial Programing

Dr Juan Vera
(Tilburg University)
Abstract

Polynomial Programs are ussually solved by using hierarchies of convex relaxations. This scheme rapidly becomes computationally expensive and is often tractable only for problems of small sizes. We propose an iterative scheme that improves an initial relaxation without incurring exponential growth in size. The key ingredient is a dynamic scheme for generating valid polynomial inequalities for general polynomial programs. These valid inequalities are then used to construct better approximations of the original problem. As a result, the proposed scheme is in principle scalable to large general combinatorial optimization problems.

Joint work with Bissan Ghaddar and Miguel Anjos

Thu, 10 Feb 2011

14:00 - 15:00
Gibson Grd floor SR

OP2 -- an open-source parallel library for unstructured grid computations

Prof Mike Giles
(University of Oxford)
Abstract

Based on an MPI library written over 10 years ago, OP2 is a new open-source library which is aimed at application developers using unstructured grids. Using a single API, it targets a variety of HPC architectures, including both manycore GPUs and multicore CPUs with vector units. The talk will cover the API design, key aspects of the parallel implementation on the different platforms, and preliminary performance results on a small but representative CFD test code.

Project homepage: http://people.maths.ox.ac.uk/gilesm/op2/

Thu, 27 Jan 2011

14:00 - 15:00
Rutherford Appleton Laboratory, nr Didcot

Backward Perturbation Analysis of Linear Least Squares Problems

Dr David Titley-Peloquin
(University of Oxford)
Abstract

We consider the iterative solution of large sparse linear least squares (LS) problems. Specifically, we focus on the design and implementation of reliable stopping criteria for the widely-used algorithm LSQR of Paige and Saunders. First we perform a backward perturbation analysis of the LS problem. We show why certain projections of the residual vector are good measures of convergence, and we propose stopping criteria that use these quantities. These projections are too expensive to compute to be used directly in practice. We show how to estimate them efficiently at every iteration of the algorithm LSQR. Our proposed stopping criteria can therefore be used in practice.

This talk is based on joint work with Xiao-Wen Chang, Chris Paige, Pavel Jiranek, and Serge Gratton.

Thu, 20 Jan 2011

14:00 - 15:00
Gibson Grd floor SR

Optimized domain decomposition methods that scale weakly

Dr Sebastien Loisel
(Heriot-Watt University)
Abstract

In various fields of application, one must solve very large scale boundary value problems using parallel solvers and supercomputers. The domain decomposition approach partitions the large computational domain into smaller computational subdomains. In order to speed up the convergence, we have several ``optimized'' algorithm that use Robin transmission conditions across the artificial interfaces (FETI-2LM). It is known that this approach alone is not sufficient: as the number of subdomains increases, the number of iterations required for convergence also increases and hence the parallel speedup is lost. A known solution for classical Schwarz methods as well as FETI algorithms is to incorporate a ``coarse grid correction'', which is able to transmit low-frequency information more quickly across the whole domain. Such algorithms are known to ``scale weakly'' to large supercomputers. A coarse grid correction is also necessary for FETI-2LM methods. In this talk, we will introduce and analyze coarse grid correction algorithms for FETI-2LM domain decomposition methods.

Tue, 07 Dec 2010

14:00 - 15:00
Gibson Grd floor SR

Mathematics enters the picture

Dr. Massimo Fornasier
(Austrian Academy of Sciences)
Abstract

Can one of the most important Italian Renaissance frescoes reduced in hundreds of thousand fragments by a bombing during the Second World War be re-composed after more than 60 years from its damage? Can we reconstruct the missing parts and can we say something about their original color?

In this talk we would like to exemplify, hopefully effectively by taking advantage of the seduction of art, how mathematics today can be applied in real-life problems which were considered unsolvable only few years ago.

Thu, 02 Dec 2010

14:00 - 15:00
Rutherford Appleton Laboratory, nr Didcot

A high performance dual revised simplex solver

Dr Julian Hall
(University of Edinburgh)
Abstract

Implementations of the revised simplex method for solving large scale sparse linear programming (LP) problems are highly efficient for single-core architectures. This talk will discuss the limitations of the underlying techniques in the context of modern multi-core architectures, in particular with respect to memory access. Novel techniques for implementing the dual revised simplex method will be introduced, and their use in developing a dual revised simplex solver for multi-core architectures will be described.

Thu, 25 Nov 2010

14:00 - 15:00
Rutherford Appleton Laboratory, nr Didcot

Primal-dual active set methods for solving Non-local Allen-Cahn Systems

Dr. Vanessa Styles
(University of Sussex)
Abstract

We propose and analyze a primal-dual active set method for local and non-local vector-valued Allen-Cahn variational inequalities.

We show existence and uniqueness of a solution for the non-local vector-valued Allen-Cahn variational inequality in a formulation involving Lagrange multipliers for local and non-local constraints. Furthermore, convergence of the algorithm is shown by interpreting the approach as a semi-smooth Newton method and numerical simulations are presented.

Thu, 18 Nov 2010

14:00 - 15:00
Gibson Grd floor SR

Optimization with time-periodic PDE constraints: Numerical methods and applications

Mr. Andreas Potschka
(University of Heidelberg)
Abstract

Optimization problems with time-periodic parabolic PDE constraints can arise in important chemical engineering applications, e.g., in periodic adsorption processes. I will present a novel direct numerical method for this problem class. The main numerical challenges are the high nonlinearity and high dimensionality of the discretized problem. The method is based on Direct Multiple Shooting and inexact Sequential Quadratic Programming with globalization of convergence based on natural level functions. I will highlight the use of a generalized Richardson iteration with a novel two-grid Newton-Picard preconditioner for the solution of the quadratic subproblems. At the end of the talk I will explain the principle of Simulated Moving Bed processes and conclude with numerical results for optimization of such a process.

Thu, 11 Nov 2010

14:00 - 15:00
Gibson Grd floor SR

Applications of linear barycentric rational interpolation at equidistant points

Prof. Jean-Paul Berrut
(Université de Fribourg)
Abstract

Efficient linear and infinitely smooth approximation of functions from equidistant samples is a fascinating problem, at least since Runge showed in 1901 that it is not delivered by the interpolating polynomial.

In 1988, I suggested to substitute linear rational for polynomial interpolation by replacing the denominator 1 with a polynomial depending on the nodes, though not on the interpolated function. Unfortunately the so-obtained interpolant converges merely as the square of the mesh size. In 2007, Floater and Hormann have given for every integer a denominator that yields convergence of that prescribed order.

In the present talk I shall present the corresponding interpolant as well as some of its applications to differentiation, integration and the solution of boundary value problems. This is joint work with Georges Klein and Michael Floater.

Thu, 04 Nov 2010

14:00 - 15:00
Gibson Grd floor SR

The Convergence Behaviour of BiCG

Prof. Eric de Sturler
(Virginia Tech)
Abstract

The Bi-Conjugate Gradient method (BiCG) is a well-known iterative solver (Krylov method) for linear systems of equations, proposed about 35 years ago, and the basis for some of the most successful iterative methods today, like BiCGSTAB. Nevertheless, the convergence behavior is poorly understood. The method satisfies a Petrov-Galerkin property, and hence its residual is constrained to a space of decreasing dimension (decreasing one per iteration). However, that does not explain why, for many problems, the method converges in, say, a hundred or a few hundred iterations for problems involving a hundred thousand or a million unknowns. For many problems, BiCG converges not much slower than an optimal method, like GMRES, even though the method does not satisfy any optimality properties. In fact, Anne Greenbaum showed that every three-term recurrence, for the first (n/2)+1 iterations (for a system of dimension n), is BiCG for some initial 'left' starting vector. So, why does the method work so well in most cases? We will introduce Krylov methods, discuss the convergence of optimal methods, describe the BiCG method, and provide an analysis of its convergence behavior.

Thu, 28 Oct 2010

14:00 - 15:00
Gibson Grd floor SR

Algebraic multigrid with guaranteed convergence rate

Prof. Yvan Notay
(Universite Libre de Bruxelles)
Abstract

Algebraic multigrid methods are nowadays popular to solve linear systems arising from the discretization of elliptic PDEs. They try to combine the efficiency of well tuned specific schemes like classical (geometric-based) multigrid methods, with the ease of use of general purpose preconditioning techniques. This requires to define automatic coarsening procedures, which set up an hierarchy of coarse representations of the problem at hand using only information from the system matrix.

In this talk, we focus on aggregation-based algebraic multigrid methods. With these, the coarse unknowns are simply formed by grouping variables in disjoint subset called aggregates.

In the first part of the talk, we consider symmetric M-matrices with nonnegative row-sum. We show how aggregates can then be formed in such a way that the resulting method satisfies a prescribed bound on its convergence rate. That is, instead of the classical paradigm that applies an algorithm and then performs its analysis, the analysis is integrated in the set up phase so as to enforce minimal quality requirements. As a result, we obtain one of the first algebraic multigrid method with full convergence proof. The efficiency of the method is further illustrated by numerical results performed on finite difference or linear finite element discretizations of second order elliptic PDEs; the set of problems includes problems with jumps, anisotropy, reentering corners and/or unstructured meshes, sometimes with local refinement.

In the second part of the talk, we discuss nonsymmetric problems. We show how the previous approach can be extended to M-matrices with row- and column-sum both nonnegative, which includes some stable discretizations of convection-diffusion equations with divergence free convective flow. Some (preliminary) numerical results are also presented.

This is joint work with Artem Napov.

Thu, 21 Oct 2010

14:00 - 15:00
Gibson Grd floor SR

Diffuse interface models for two-phase flow

Prof. Axel Voigt
(Dresden University of Technology)
Abstract

Starting from a Navier-Stokes-Cahn-Hilliard equation for a two-phase flow problem we discuss efficient numerical approaches based on adaptive finite element methods. Various extensions of the model are discussed: a) we consider the model on implicitly described geometries, which is used to simulate the sliding of droplets over nano-patterned surfaces, b) we consider the effect of soluble surfactants and show its influence on tip splitting of droplets under shear flow, and c) we consider bijels as a new class of soft matter materials, in which colloidal particles are jammed on the fluid-fluid interface and effect the motion of the interface due to an elastic force.

The work is based on joint work with Sebastian Aland (TU Dresden), John Lowengrub (UC Irvine) and Knut Erik Teigen (U Trondheim).

Thu, 14 Oct 2010

14:00 - 15:00
Gibson Grd floor SR

A Nonlinear Discretization Theory with Applications to Meshfree Methods

Prof. Klaus Böhmer
(Philipps University Marburg)
Abstract

We extend for the first time the linear discretization theory of Schaback, developed for meshfree methods, to nonlinear operator equations, relying heavily on methods of Böhmer, Vol I. There is no restriction to elliptic problems or to symmetric numerical methods like Galerkin techniques.

Trial spaces can be arbitrary, but have to approximate the solution well, and testing can be weak or strong. We present Galerkin techniques as an example. On the downside, stability is not easy to prove for special applications, and numerical methods have to be formulated as optimization problems. Results of this discretization theory cover error bounds and convergence rates. These results remain valid for the general case of fully nonlinear elliptic differential equations of second order. Some numerical examples are added for illustration.

Thu, 07 Oct 2010

14:00 - 15:00
Gibson Grd floor SR

A fast and simple algorithm for the computation of Legendre coefficients

Prof. Arieh Iserles
(University of Cambridge)
Abstract

We present an O(N logN) algorithm for the calculation of the first N coefficients in an expansion of an analytic function in Legendre polynomials. In essence, the algorithm consists of an integration of a suitably weighted function along an ellipse, a task which can be accomplished with Fast Fourier Transform, followed by some post-processing.

Thu, 17 Jun 2010

14:00 - 15:00
3WS SR

Towards Effective Computation with Kernels on Manifolds

Prof Joseph Ward
(Texas A&M University)
Abstract
This talk will focus on highly localized basis functions which exist for certain kernels and spaces associated with these kernels. Such kernels include certain radial basis functions (RBFs), their restrictions to spheres (SBFs), and their restrictions to more general manifolds embeddable in Rd. The first part of the talk will be of an introductory nature. It will discuss radial basis functions and their restriction to manifolds which give rise to various kernels on these manifolds. The talk will then focus on the development (for certain kernels) of highly localized Lagrange functions which serve as effective bases: i.e., bases which are stable and local. Scaled versions of these bases will then be used to establish the stability of the L2 minimization operator in Lp, 1 ≤ p ≤ ∞, thus obtaining a multivariate analogue of a result of de Boor. Since these bases are scalable with the data, they have potential uses beyond approximation including meshless methods and, more generally, computations of a multiresolution nature. The talk is primarily based on joint work with T. Hangelbroek, F. J. Narcowich and X. Sun.
Thu, 27 May 2010

14:00 - 15:00
3WS SR

High-order surface integral algorithms for 3D computational electromagnetics

Prof Mahadevan Ganesh
(Colorado School of Mines)
Abstract

We discuss a class of high-order spectral-Galerkin surface integral algorithms with specific focus on simulating the scattering of electromagnetic waves by a collection of three dimensional deterministic and stochastic particles.

Thu, 20 May 2010

14:00 - 15:00
Rutherford Appleton Laboratory, nr Didcot

Numerical Methods for Monge-Kantorovich Transportation Problems

Dr Jan Van lent
(UWE Bristol)
Abstract

In the eighteenth century Gaspard Monge considered the problem of finding the best way of moving a pile of material from one site to another. This optimal transport problem has many applications such as mesh generation, moving mesh methods, image registration, image morphing, optical design, cartograms, probability theory, etc. The solution to an optimal transport problem can be found by solving the Monge-Amp\`{e}re equation, a highly nonlinear second order elliptic partial differential equation. Leonid Kantorovich, however, showed that it is possible to analyse optimal transport problems in a framework that naturally leads to a linear programming formulation. In recent years several efficient methods have been proposed for solving the Monge-Amp\`{e}re equation. For the linear programming problem, standard methods do not exploit the special properties of the solution and require a number of operations that is quadratic or even cubic in the number of points in the discretisation. In this talk I will discuss techniques that can be used to obtain more efficient methods.

Joint work with Chris Budd (University of Bath).