Past Computational Mathematics and Applications Seminar

Structural optimization can be interpreted as the attempt to find the best mechanical structure to support specific load cases respecting some possible constraints. Within this context, topology optimization aims to obtain the connectivity, shape and location of voids inside a prescribed structural design domain. The methods for the design of stiff lightweight structures are well established and can already be used in a specific range of industries where such structures are important, e.g., in aerospace and automobile industries.

In this seminar, we will go through the basic engineering concepts used to quantify and analyze the computational models of mechanical structures. After presenting the motivation, the methods and mathematical tools used in structural topology optimization will be discussed. In our method, an implicit level set function is used to describe the structural boundaries. The optimization problem is approximated by linearization of the objective and constraint equations via Taylor’s expansion. Shape sensitivities are used to evaluate the change in the structural performance due to a shape movement and to feed the mathematical optimiser in an iterative procedure. Recent developments comprising multiscale and Multiphysics problems will be presented and a specific application proposal including acoustic-structure interaction will be discussed.

We describe a convergence acceleration technique for generic optimization problems. Our scheme computes estimates of the optimum from a nonlinear average of the iterates produced by any optimization method. The weights in this average are computed via a simple linear system, whose solution can be updated online. This acceleration scheme runs in parallel to the base algorithm, providing improved estimates of the solution on the fly, while the original optimization method is running. Numerical experiments are detailed on classical classification problems.
 

Abstract: We study nonuniform sampling in shift-invariant spaces whose generator is a totally positive function. For a subclass of such generators the sampling theorems can be formulated in analogy to the theorems of Beurling and Landau for bandlimited functions. These results are  optimal and validate  the  heuristic reasonings in the engineering literature. In contrast to the cardinal series, the reconstruction procedures for sampling in a shift-invariant space with a totally positive generator  are local and thus accessible to numerical linear algebra.

A subtle  connection between sampling in shift-invariant spaces and the theory of Gabor frames leads to new and optimal  results for Gabor frames.  We show that the set of phase-space shifts of  $g$ (totally positive with a Gaussian part) with respect to a rectangular lattice forms a frame, if and only if the density of the lattice  is strictly larger than 1. This solves an open problem going backto Daubechies in 1990 for the class of totally positive functions of Gaussian type.
 

Almost all real-world applications involve a degree of uncertainty. This may be the result of noisy measurements, restrictions on observability, or simply unforeseen events. Since many models in both engineering and the natural sciences make use of partial differential equations (PDEs), it is natural to consider PDEs with random inputs. In this context, passing from modelling and simulation to optimization or control results in stochastic PDE-constrained optimization problems. This leads to a number of theoretical, algorithmic, and numerical challenges.

 From a mathematical standpoint, the solution of the underlying PDE is a random field, which in turn makes the quantity of interest or the objective function an implicitly defined random variable. In order to minimize this distributed objective, one can use, e.g., stochastic order constraints, a distributionally robust approach, or risk measures. In this talk, we will make use of risk measures.

After motivating the approach via a model for the mitigation of an airborne pollutant, we build up an analytical framework and introduce some useful risk measures. This allows us to prove the existence of solutions and derive optimality conditions. We then present several approximation schemes for handling non-smooth risk measures in order to leverage existing numerical methods from PDE-constrained optimization. Finally, we discuss solutions techniques and illustrate our results with numerical examples.

During the last decade, the progress in the computational performance of commercial mixed-integer programming solvers have been significant. Part of this success is due to faster computers and better software engineering but a more significant part of it is due to the power of the cutting planes used in these solvers.
In the first part of this talk, we will discuss main components of a MIP solver and describe some classical families of valid inequalities (Gomory mixed integer cuts, mixed integer rounding cuts, split cuts, etc.) that are routinely used in these solvers. In the second part, we will discuss recent progress in cutting plane theory that has not yet made its way to commercial solvers. In particular, we will discuss cuts from lattice-free convex sets and answer a long standing question in the affirmative by deriving a finite cutting plane algorithm for mixed-integer programming.

In variational imaging and other inverse problem modeling, regularisation plays a major role. In recent years, high order regularizers such as the total generalised variation, the mean curvature and the Gaussian curvature are increasingly studied and applied, and many improved results over the widely-used total variation model are reported.
Here we first introduce the fractional order derivatives and the total fractional-order variation which provides an alternative  regularizer and is not yet formally analysed. We demonstrate that existence and uniqueness properties of the new model can be analysed in a fractional BV space, and, equally, the new model performs as well as the high order regularizers (which do not yet have much theory). 
In the usual framework, the algorithms of a fractional order model are not fast due to dense matrices involved. Moreover, written in a Bregman framework, the resulting Sylvester equation with Toeplitz coefficients can be solved efficiently by a preconditioned solver. Further ideas based on adaptive integration can also improve the computational efficiency in a dramatic way.
 Numerical experiments will be given to illustrate the advantages of the new regulariser for both restoration and registration problems.
 

We will present a very general framework for unconstrained stochastic optimization which is based on standard trust region framework using  random models. In particular this framework retains the desirable features such step acceptance criterion, trust region adjustment and ability to utilize of second order models. We make assumptions on the stochasticity that are different from the typical assumptions of stochastic and simulation-based optimization. In particular we assume that our models and function values satisfy some good quality conditions with some probability fixed, but can be arbitrarily bad otherwise. We will analyze the convergence and convergence rates of this general framework and discuss the requirement on the models and function values. We will will contrast our results with existing results from stochastic approximation literature. We will finish with examples of applications arising the area of machine learning. 
 

Work with Jemima Tabeart, Sarah Dance, Nancy Nichols, Joanne Waller (University of Reading) and Stefano Migliorini, Fiona Smith (Met Office). 
In environmental prediction variational data assimilation (DA) is a method for using observational data to estimate the current state of the system. The DA problem is usually solved as a very large nonlinear least squares problem, in which the fit to the measurements is balanced against the fit to a previous model forecast. These two terms are weighted by matrices describing the correlations of the errors in the forecast and in the observations. Until recently most operational weather and ocean forecasting systems assumed that the errors in the observations are uncorrelated. However, as we move to higher resolution observations then it is becoming more important to specify observation error correlations. In this work we look at the effect this has on the conditioning of the optimization problem. In the context of a linear system we develop bounds on the condition number of the problem in the presence of correlated observation errors. We show that the condition number is very dependent on the minimum eigenvalue of the observation error correlation matrix. We then present results using the Met Office data assimilation system, in which different methods for reconditioning the correlation matrix are tested. We investigate the effect of these different methods on the conditioning and the final solution of the problem.
 

Inverse problems are ubiquitous in many areas of Science and Engineering and, once discretised, they lead to ill-conditioned linear systems, often of huge dimensions: regularisation consists in replacing the original system by a nearby problem with better numerical properties, in order to find meaningful approximations of its solution. In this talk we will explore the regularisation properties of many iterative methods based on Krylov subspaces. After surveying some basic methods such as CGLS and GMRES, innovative approaches based on flexible variants of CGLS and GMRES will be presented, in order to efficiently enforce nonnegativity and sparsity into the solution.

We consider the Cauchy (or steepest descent) method with exact line search applied to a strongly convex function with Lipschitz continuous gradient. We establish the exact worst-case rate of convergence of this scheme, and show that this worst-case behavior is exhibited by a certain convex quadratic function. We also give worst-case complexity bound for a noisy variant of gradient descent method. Finally, we show that these results may be applied to study the worst-case performance of Newton's method for the minimization of self-concordant functions.

The proofs are computer-assisted, and rely on the resolution of semidefinite programming performance estimation problems as introduced in the paper [Y. Drori and M. Teboulle.  Performance of first-order methods for smooth convex minimization: a novel approach. Mathematical Programming, 145(1-2):451-482, 2014].

Joint work with F. Glineur and A.B. Taylor.

 Functions defined by evaluation programs involving smooth  elementals and absolute values as well as max and min are piecewise smooth. For this class we present first and second order, necessary and sufficient conditions for the functions to be locally optimal, or convex, or at least possess a supporting hyperplane. The conditions generalize the classical KKT and SSC theory and are constructive; though in the case of convexity they may be combinatorial to verify. As a side product we find that, under the Mangasarin-Fromowitz-Kink-Qualification, the well established nonsmooth concept of subdifferential regularity is equivalent to first order convexity. All results are based on piecewise linearization and suggest corresponding optimization algorithms.

We propose a multilevel paradigm for the global optimisation of polynomials with sparse support. Such polynomials arise through the discretisation of PDEs, optimal control problems and in global optimization applications in general. We construct projection operators to relate the primal and dual variables of the SDP relaxation between lower and higher levels in the hierarchy, and theoretical results are proven to confirm their usefulness. Numerical results are presented for polynomial problems that show how these operators can be used in a hierarchical fashion to solve large scale problems with high accuracy.

I will present a broad family of stochastic algorithms for inverting a matrix, including specialized variants which maintain symmetry or positive definiteness of the iterates. All methods in the family converge globally and linearly, with explicit rates. In special cases, the methods obtained are stochastic block variants of several quasi-Newton updates, including bad Broyden (BB), good Broyden (GB), Powell-symmetric-Broyden (PSB), Davidon-Fletcher-Powell (DFP) and Broyden-Fletcher-Goldfarb-Shanno (BFGS). After a pause for questions, I will then present a block stochastic BFGS method based on the stochastic method for inverting positive definite matrices. In this method, the estimate of the inverse Hessian matrix that is maintained by it, is updated at each iteration using a sketch of the Hessian, i.e., a randomly generated compressed form of the Hessian. I will propose several sketching strategies, present a new quasi-Newton method that uses stochastic block BFGS updates combined with the variance reduction approach SVRG to compute batch stochastic gradients, and prove linear convergence of the resulting method. Numerical tests on large-scale logistic regression problems reveal that our method is more robust and substantially outperforms current state-of-the-art methods.

Most current methods of Magnetic Resonance Imaging (MRI) reconstruction interpret raw signal values as samples of the Fourier transform of the object. Although this is computationally convenient, it neglects relaxation and off–resonance evolution in phase, both of which can occur to significant extent during a typical MRI signal. A more accurate model, known as Parameter Assessment by Recovery from Signal Encoding (PARSE), takes the time evolution of the signal into consideration. This model uses three parameters that depend on tissue properties: transverse magnetization, signal decay rate, and frequency offset from resonance. Two difficulties in recovering an image using this model are the low SNR for long acquisition times in single-shot MRI, and the nonlinear dependence of the signal on the decay rate and frequency offset. In this talk, we address the latter issue by using a second order approximation of the original PARSE model. The linearized model can be solved using convex optimization augmented with well-stablished regularization techniques such as total variation. The sensitivity of the parameters to noise and computational challenges associated with this approximation will be discussed.

We consider the problem of computing a nonnegative low rank factorization to a given nonnegative input matrix under the so-called "separabilty condition".  This assumption makes this otherwise NP hard problem polynomial time solvable, and we will use first order optimization techniques to compute such a factorization. The optimization model use is based on sparse regression with a self-dictionary, in which the low rank constraint is relaxed to the minimization of an l1-norm objective function.  We apply these techniques to endmember detection and classification in hyperspecral imaging data.

 The matrix logarithm, when applied to symmetric positive definite matrices, is known to satisfy a notable concavity property in the positive semidefinite (Loewner) order. This concavity property is a cornerstone result in the study of operator convex functions and has important applications in matrix concentration inequalities and quantum information theory.
In this talk I will show that certain rational approximations of the matrix logarithm remarkably preserve this concavity property and moreover, are amenable to semidefinite programming. Such approximations allow us to use off-the-shelf semidefinite programming solvers for convex optimization problems involving the matrix logarithm. These approximations are also useful in the scalar case and provide a much faster alternative to existing methods based on successive approximation for problems involving the exponential/relative entropy cone. I will conclude by showing some applications to problems arising in quantum information theory.

This is joint work with James Saunderson (Monash University) and Pablo Parrilo (MIT)

Rational Krylov methods are applicable to a wide range of scientific computing problems, and ​the rational Arnoldi algorithm is a commonly used procedure for computing an ​orthonormal basis of a rational Krylov space. Typically, the computationally most expensive component of this​ ​algorithm is the solution of a large linear system of equations at each iteration. We explore the​ ​option of solving several linear systems simultaneously, thus constructing the rational Krylov​ ​basis in parallel. If this is not done carefully, the basis being orthogonalized may become badly​ ​conditioned, leading to numerical instabilities in the orthogonalization process. We introduce the​ ​new concept of continuation pairs which gives rise to a near-optimal parallelization strategy that ​allows to control the growth of the condition number of this nonorthogonal basis. As a consequence we obtain a significantly more accurate and reliable parallel rational Arnoldi algorithm.
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The computational benefits are illustrated using several numerical examples from different application areas.
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This ​talk is based on joint work with Mario Berljafa  available as an Eprint at http://eprints.ma.man.ac.uk/2503/
 

We present global rates of convergence for a general class of methods for nonconvex smooth optimization that include linesearch, trust-region and regularisation strategies, but that allow inaccurate problem information. Namely, we assume the local (first- or second-order) models of our function are only sufficiently accurate with a certain probability, and they can be arbitrarily poor otherwise. This framework subsumes certain stochastic gradient analyses and derivative-free techniques based on random sampling of function values. It can also be viewed as a robustness
assessment of deterministic methods and their resilience to inaccurate derivative computation such as due to processor failure in a distribute framework. We show that in terms of the order of the accuracy, the evaluation complexity of such methods is the same as their counterparts that use deterministic accurate models; the use of probabilistic models only increases the complexity by a constant, which depends on the probability of the models being good. Time permitting, we also discuss the case of inaccurate, probabilistic function value information, that arises in stochastic optimization. This work is joint with Katya Scheinberg (Lehigh University, USA).
 

For linear dynamical systems, model reduction has achieved great success. In the case of linear dynamics,  we know how to construct, at a modest cost, (locally) optimal, input-independent reduced models; that is, reduced models that are uniformly good over all inputs having bounded energy. In addition, in some cases we can achieve this goal using only input/output data without a priori knowledge of internal  dynamics.  Even though model reduction has been successfully and effectively applied to nonlinear dynamical systems as well, in this setting,  bot the reduction process and the reduced models are input dependent and the high fidelity of the resulting approximation is generically restricted to the training input/data. In this talk, we will offer remedies to this situation.

To predict the behaviour of a dynamical system using a mathematical model, an accurate estimate of the current state of the system is needed in order to initialize the model. Complete information on the current state is, however, seldom available. The aim of optimal state estimation, known in the geophysical sciences as ‘data assimilation’, is to determine a best estimate of the current state using measured observations of the real system over time, together with the model equations. The problem is commonly formulated in variational terms as a very large nonlinear least-squares optimization problem. The lack of complete data, coupled with errors in the observations and in the model, leads to a highly ill-conditioned inverse problem that is difficult to solve.

To understand the nature of the inverse problem, we examine how different components of the assimilation system influence the conditioning of the optimization problem. First we consider the case where the dynamical equations are assumed to model the real system exactly. We show, against intuition, that with increasingly dense and precise observations, the problem becomes harder to solve accurately. We then extend these results to a 'weak-constraint' form of the problem, where the model equations are assumed not to be exact, but to contain random errors. Two different, but mathematically equivalent, forms of the problem are derived. We investigate the conditioning of these two forms and find, surprisingly, that these have quite different behaviour.