This paper considers the problem of model uncertainty associated with variable selection and specification of the spatial weight matrix in spatial growth regression models in general and growth regression models based on the matrix exponential spatial specification in particular. A natural solution, supported by formal probabilistic reasoning, is the use of Bayesian model averaging which assigns probabilities on the model space and deals with model uncertainty by mixing over models, using the posterior model probabilities as weights. This paper proposes to adopt Bayesian information criterion model weights since they have computational advantages over fully Bayesian model weights. The approach is illustrated for both identifying model covariates and unveiling spatial structures present in pan-European growth data. (authors' abstract) / Series: Department of Economics Working Paper Series

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.

La ecuación de la difusión neutrónica describe la población de neutrones de un reactor nuclear. Este trabajo trata con este modelo para reactores nucleares con geometría hexagonal. En primer lugar se estudia la ecuación de la difusión neutrónica. Este es un problema diferencial de valores propios, llamado problema de los modos Lambda. Para resolver el problema de los modos Lambda se han comparado diferentes métodos en geometrías unidimensionales, resultando como el mejor el método de elementos espectrales. Usando este método discretizamos los operadores en geometrías bidimensiones y tridimensionales, resolviendo el problema algebraica de valores propios resultante con el método de Arnoldi. La distribución de neutrones estado estacionario se utiliza como condición inicial para la integración de la ecuación de la difusión neutrónica dependiente del tiempo. Se utiliza un método de Euler implícito para integrar en el tiempo. Cuando un nodo está parcialmente insertado aparece un comportamiento no físico de la solución, el efecto ``rod cusping'', que se corrige mediante la ponderación de las secciones eficaces con el flujo del paso de tiempo anterior. Cuando la solución de los sistemas algebraicos que surgen en el método hacia atrás, un método de Krylov se utiliza para resolver los sistemas resultantes, y diferentes estrategias de precondicionamiento se evalúan se. La primera consiste en el uso de la estructura de bloque obtenido por los grupos de energía para resolver el sistema por bloques, y diferentes técnicas de aceleración para el esquema iterativo de bloques y un precondicionador utilizando esta estructura de bloque se proponen. Además se estudia un precondicionador espectral, que hace uso de la información en un subespacio de Krylov para precondicionar el siguiente sistema. También se proponen métodos exponenciales de segundo y cuarto orden integrar la ecuación de difusión neutrónica dependiente del tiempo, donde la exponencial de la matriz del sistema tiene qu / González Pintor, S. (2012). Approximation of the Neutron Diffusion Equation on Hexagonal Geometries [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/17829 / Palancia

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Many problems in applied mathematics and physics are formulated most naturally in terms of matrices, and can be solved by computing functions of these matrices. For example, in quantum mechanics, the coherent dynamics of physical systems is described by the matrix exponential of their Hamiltonian. In state of the art experiments, one can now observe such unitary evolution of many-body systems, which is of fundamental interest in the study of many-body quantum phenomena. On the other hand the theoretical simulation of such non-equilibrium many-body dynamics is very challenging. In this thesis, we develop a symbolic approach to matrix functions and quantum dynamics based on a novel algebraic structure we identify for sets of walks on graphs. We begin by establishing the graph theoretic equivalent to the fundamental theorem of arithmetic: all the walks on any finite digraph uniquely factorise into products of prime elements. These are the simple paths and simple cycles, walks forbidden from visiting any vertex more than once. We give an algorithm that efficiently factorises individual walks and obtain a recursive formula to factorise sets of walks. This yields a universal continued fraction representation for the formal series of all walks on digraphs. It only involves simple paths and simple cycles and is thus called a path-sum. In the second part, we recast matrix functions into path-sums. We present explicit results for a matrix raised to a complex power, the matrix exponential, matrix inverse, and matrix logarithm. We introduce generalised matrix powers which extend desirable properties of the Drazin inverse to all powers of a matrix. In the third part, we derive an intermediary form of path-sum, called walk-sum, relying solely on physical considerations. Walk-sum describes the dynamics of a quantum system as resulting from the coherent superposition of its histories, a discrete analogue to the Feynman path-integrals. Using walk-sum we simulate the dynamics of quantum random walks and of Rydberg-excited Mott insulators. Using path-sum, we demonstrate many-body Anderson localisation in an interacting disordered spin system. We give two observable signatures of this phenomenon: localisation of the system magnetisation and of the linear magnetic response function. Lastly we return to the study of sets of walks. We show that one can construct as many representations of series of walks as there are ways to define a walk product such that the factorisation of a walk always exist and is unique. Illustrating this result we briefly present three further methods to evaluate functions of matrices. Regardless of the method used, we show that graphs are uniquely characterised, up to an isomorphism, by the prime walks they sustain.

A equação de advecção-dispersão possui grande importância na engenharia e nas ciências aplicadas. No entanto, como é bem conhecido, a obtenção de uma solução numérica apropriada para essa equação é um problema desafiador tanto para engenheiros como para matemáticos, físicos e outros profissionais que trabalham com a modelagem de fenômenos associados a ela. Muitos métodos numéricos desenvolvidos podem apresentar uma série de inconvenientes, tais como oscilações, dispersão e/ou dissipação numérica e instabilidade, além de serem inapropriados para determinadas condições de contorno. O presente trabalho apresenta e analisa a metodologia DFLD-exp, uma nova abordagem para a obtenção de soluções semi-analíticas da equação de advecção-dispersão, a qual utiliza um tipo particular de diferenças finitas para a discretização espacial juntamente com técnicas de exponencial de matrizes para a resolução temporal. Uma cuidadosa análise numérica mostra que a metodologia resultante é não-oscilatória, essencialmente não-dispersiva e não-dissipativa, e incondicionalmente estável. Resoluções de vários exemplos numéricos, através de um código desenvolvido em linguagem MATLAB, confirmam os resultados teóricos. / The advection-dispersion equation has been very important in engineering and the applied sciences. However, the obtainment of an appropriate numerical solution to that equation has been challenging problem to engineers, mathematicians, physicians and others that work in the modeling of phenomena associate to advection-dispersion equation. Many developed numerical methods may produce a succession of mistakes, just as oscillations, numerical dispersion and/or dissipation, instability and those methods also may be inappropriate to determined boundary conditions. The present work shows and analyses the DFLD-exp methodology, a new way to obtain semi-analytic solutions to advection-dispersion equation, that make use of a particular form of finite differencing to the spatial discretization with techniques of matrix exponential to the time solving. A detailed numerical analysis shows the methodology is non-oscillatory, essentially non-dispersive and non-dissipative, and unconditionally stable. Resolutions of any numerical examples, by a computational code developed in MATLAB language, confirm the theoretical results.

A equação de advecção-dispersão possui grande importância na engenharia e nas ciências aplicadas. No entanto, como é bem conhecido, a obtenção de uma solução numérica apropriada para essa equação é um problema desafiador tanto para engenheiros como para matemáticos, físicos e outros profissionais que trabalham com a modelagem de fenômenos associados a ela. Muitos métodos numéricos desenvolvidos podem apresentar uma série de inconvenientes, tais como oscilações, dispersão e/ou dissipação numérica e instabilidade, além de serem inapropriados para determinadas condições de contorno. O presente trabalho apresenta e analisa a metodologia DFLD-exp, uma nova abordagem para a obtenção de soluções semi-analíticas da equação de advecção-dispersão, a qual utiliza um tipo particular de diferenças finitas para a discretização espacial juntamente com técnicas de exponencial de matrizes para a resolução temporal. Uma cuidadosa análise numérica mostra que a metodologia resultante é não-oscilatória, essencialmente não-dispersiva e não-dissipativa, e incondicionalmente estável. Resoluções de vários exemplos numéricos, através de um código desenvolvido em linguagem MATLAB, confirmam os resultados teóricos. / The advection-dispersion equation has been very important in engineering and the applied sciences. However, the obtainment of an appropriate numerical solution to that equation has been challenging problem to engineers, mathematicians, physicians and others that work in the modeling of phenomena associate to advection-dispersion equation. Many developed numerical methods may produce a succession of mistakes, just as oscillations, numerical dispersion and/or dissipation, instability and those methods also may be inappropriate to determined boundary conditions. The present work shows and analyses the DFLD-exp methodology, a new way to obtain semi-analytic solutions to advection-dispersion equation, that make use of a particular form of finite differencing to the spatial discretization with techniques of matrix exponential to the time solving. A detailed numerical analysis shows the methodology is non-oscillatory, essentially non-dispersive and non-dissipative, and unconditionally stable. Resolutions of any numerical examples, by a computational code developed in MATLAB language, confirm the theoretical results.