No description available.

New algorithms for the matrix exponential and its Fréchet derivative are presented. First, we derive a new scaling and squaring algorithm (denoted expm[new]) for computing eA, where A is any square matrix, that mitigates the overscaling problem. The algorithm is built on the algorithm of Higham [SIAM J.Matrix Anal. Appl., 26(4): 1179-1193, 2005] but improves on it by two key features. The first, specific to triangular matrices, is to compute the diagonal elements in the squaring phase as exponentials instead of powering them. The second is to base the backward error analysis that underlies the algorithm on members of the sequence {||Ak||1/k} instead of ||A||. The terms ||Ak||1/k are estimated without computing powers of A by using a matrix 1-norm estimator. Second, a new algorithm is developed for computing the action of the matrix exponential on a matrix, etAB, where A is an n x n matrix and B is n x n₀ with n₀ << n. The algorithm works for any A, its computational cost is dominated by the formation of products of A with n x n₀ matrices, and the only input parameter is a backward error tolerance. The algorithm can return a single matrix etAB or a sequence etkAB on an equally spaced grid of points tk. It uses the scaling part of the scaling and squaring method together with a truncated Taylor series approximation to the exponential. It determines the amount of scaling and the Taylor degree using the strategy of expm[new].Preprocessing steps are used to reduce the cost of the algorithm. An important application of the algorithm is to exponential integrators for ordinary differential equations. It is shown that the sums of the form $\sum_{k=0}^p\varphi_k(A)u_k$ that arise in exponential integrators, where the $\varphi_k$ are related to the exponential function, can be expressed in terms of a single exponential of a matrix of dimension $n+p$ built by augmenting $A$ with additional rows and columns. Third, a general framework for simultaneously computing a matrix function, $f(A)$, and its Fréchet derivative in the direction $E$, $L_f(A,E)$, is established for a wide range of matrix functions. In particular, we extend the algorithm of Higham and $\mathrm{expm_{new}}$ to two algorithms that intertwine the evaluation of both $e^A$ and $L(A,E)$ at a cost about three times that for computing $e^A$ alone. These two extended algorithms are then adapted to algorithms that simultaneously calculate $e^A$ together with an estimate of its condition number. Finally, we show that $L_f(A,E)$, where $f$ is a real-valued matrix function and $A$ and $E$ are real matrices, can be approximated by $\Im f(A+ihE)/h$ for some suitably small $h$. This approximation generalizes the complex step approximation known in the scalar case, and is proved to be of second order in $h$ for analytic functions $f$ and also for the matrix sign function. It is shown that it does not suffer the inherent cancellation that limits the accuracy of finite difference approximations in floating point arithmetic. However, cancellation does nevertheless vitiate the approximation when the underlying method for evaluating $f$ employs complex arithmetic. The complex step approximation is attractive when specialized methods for evaluating the Fréchet derivative are not available.

Modern numerical ordinary differential equation initial-value problem (ODE-IVP) solvers compute a piecewise polynomial approximate solution to the mathematical problem. Evaluating the mathematical problem at this approximate solution defines the defect. Corless and Corliss proposed rigorous defect control of numerical ODE-IVP. This thesis automates rigorous defect control for explicit, first-order, nonlinear ODE-IVP. Defect control is residual-based backward error analysis for ODE, a special case of Wilkinson's backward error analysis. This thesis describes a complete software implementation of the Corless and Corliss algorithm and extensive numerical studies. Basic time-stepping software is adapted to defect control and implemented. Advances in software developed for validated computing applications and advances in programming languages supporting operator overloading enable the computation of a tight rigorous enclosure of the defect evaluated at the approximate solution with Taylor models. Rigorously bounding a norm of the defect, the Corless and Corliss algorithm controls to mathematical certainty the norm of the defect to be less than a user specified tolerance over the integration interval. The validated computing software used in this thesis happens to compute a rigorous supremum norm. The defect of an approximate solution to the mathematical problem is associated with a new problem, the perturbed reference problem. This approximate solution is often the product of a numerical procedure. Nonetheless, it solves exactly the new problem including all errors. Defect control accepts the approximate solution whenever the sup-norm of the defect is less than a user specified tolerance. A user must be satisfied that the new problem is an acceptable model. / Thesis / Master of Science (MSc) / Many processes in our daily lives evolve in time, even the weather. Scientists want to predict the future makeup of the process. To do so they build models to model physical reality. Scientists design algorithms to solve these models, and the algorithm implemented in this project was designed over 25 years ago. Recent advances in mathematics and software enabled this algorithm to be implemented. Scientific software implements mathematical algorithms, and sometimes there is more than one software solution to apply to the model. The software tools developed in this project enable scientists to objectively compare solution techniques. There are two forces at play; models and software solutions. This project build software to automate the construction of the exact solution of a nearby model. That's cool.

Multisymplectic integrators like Preissman and six-point schemes and a semi-explicit symplectic method are applied to the coupled nonlinear Schr&ouml / dinger equations (CNLSE). Energy, momentum and additional conserved quantities are preserved by the multisymplectic integrators, which are shown using modified equations. The multisymplectic schemes are backward stable and non-dissipative. A semi-explicit method which is symplectic in the space variable and based on linear-nonlinear, even-odd splitting in time is derived. These methods are applied to the CNLSE with plane wave and soliton solutions for various combinations of the parameters of the equation. The numerical results confirm the excellent long time behavior of the conserved quantities and preservation of the shape of the soliton solutions in space and time.

Cette thèse porte sur certains aspects symboliques-numériques du problème des paires invariantes pour les polynômes de matrices. Les paires invariantes généralisent la définition de valeur propre / vecteur propre et correspondent à la notion de sous-espaces invariants pour le cas nonlinéaire. Elles trouvent leurs applications dans le calcul numérique de plusieurs valeurs propres d’un polynôme de matrices; elles présentent aussi un intérêt dans le contexte des systèmes différentiels. En utilisant une approche basée sur les intégrales de contour, nous déterminons des expressions du nombre de conditionnement et de l’erreur rétrograde pour le problème du calcul des paires invariantes. Ensuite, nous adaptons la méthode des moments de Sakurai-Sugiura au calcul des paires invariantes et nous étudions le comportement de la version scalaire et par blocs de la méthode en présence de valeurs propres multiples. Le résultats obtenus à l’aide des approches directes peuvent éventuellement être améliorés numériquement grâce à une méthode itérative: nous proposons ici une comparaison de deux variantes de la méthode de Newton appliquée aux paires invariantes. Le problème des solvants de matrices est très proche de celui des paires invariants. Le résultats présentés ci-dessus sont donc appliqués au cas des solvants pour obtenir des expressions du nombre de conditionnement et de l’erreur, et un algorithme de calcul basé sur la méthode des moments. De plus, nous étudions le lien entre le problème des solvants et la transformation des polynômes de matrices en forme triangulaire. / In this thesis, we study some symbolic-numeric aspects of the invariant pair problem for matrix polynomials. Invariant pairs extend the notion of eigenvalue-eigenvector pairs, providing a counterpart of invariant subspaces for the nonlinear case. They have applications in the numeric computation of several eigenvalues of a matrix polynomial; they also present an interest in the context of differential systems. Here, a contour integral formulation is applied to compute condition numbers and backward errors for invariant pairs. We then adapt the Sakurai-Sugiura moment method to the computation of invariant pairs, including some classes of problems that have multiple eigenvalues, and we analyze the behavior of the scalar and block versions of the method in presence of different multiplicity patterns. Results obtained via direct approaches may need to be refined numerically using an iterative method: here we study and compare two variants of Newton’s method applied to the invariant pair problem. The matrix solvent problem is closely related to invariant pairs. Therefore, we specialize our results on invariant pairs to the case of matrix solvents, thus obtaining formulations for the condition number and backward errors, and a moment-based computational approach. Furthermore, we investigate the relation between the matrix solvent problem and the triangularization of matrix polynomials.

Cette thèse porte sur le comportement en temps long de solutions d’équations de type Vlasov, principalement le modèle Vlasov-HMF. On s’intéresse en particulier au phénomène d’amortissement Landau, prouvé mathématiquement dans divers cadres, pour plusieurs équations de type Vlasov, comme l’équation de Vlasov-Poisson ou le modèle Vlasov-HMF, et présentant certaines analogies avec le phénomène d’amortissement non visqueux pour l’équation d’Euler 2D. Les résultats qui y sont décrits sont les suivants. Le premier est un théorème d’amortissement Landau pour des solutions numériques du modèle Vlasov-HMF, obtenues par discrétisation en temps de ce dernier via des méthodes de splitting. Nous prouvons en outre la convergence des schémas numériques. Le second est un théorème d’amortissment Landau pour des solutions du modéle Vlasov-HMF linéarisé autour d’états stationnaires inhomogènes. Ce théorème est accompagné de nombreuses simulations numériques destinées à étudier numériquement le cas non-linéaire, et semblant mettre en lumière de nouveaux phénomènes. Enfin, le dernier résultat porte sur la discrétisation en temps de l’équation d’Euler 2D par un intégrateur de Crouch-Grossman symplectique. Nous prouvons la convergence du schéma. / This thesis concerns the long time behavior of certain Vlasov equations, mainly the Vlasov- HMF model. We are in particular interested in the celebrated phenomenon of Landau damp- ing, proved mathematically in various frameworks, foar several Vlasov equations, such as the Vlasov-Poisson equation or the Vlasov-HMF model, and exhibiting certain analogies with the inviscid damping phenomenon for the 2D Euler equation. The results described in the document are the following.The first one is a Landau damping theorem for numerical solutions of the Vlasov-HMF model, constructed by means of time-discretizations by splitting methods. We prove more- over the convergence of the schemes. The second result is a Landau damping theorem for solutions of the Vlasov-HMF model linearized around inhomogeneous stationary states. We provide moreover a quite large amount of numerical simulations, which are designed to study numerically the nonlinear case, and which seem to show new phenomenons. The last result is the convergence of a scheme that discretizes in time the 2D Euler equation by means of a symplectic Crouch-Grossmann integrator.