Dissertations / Theses on the topic 'Quadrature de Gauss'
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Tang, Tunan. "Extensions of Gauss, block Gauss, and Szego quadrature rules, with applications." Kent State University / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=kent1460403903.
Full textAlqahtani, Hessah Faihan. "GAUSS-TYPE QUADRATURE RULES, WITH APPLICATIONSIN LINEAR ALGEBRA." Kent State University / OhioLINK, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=kent1521760018029109.
Full textAssoufi, Abdelaziz. "Les formules de quadrature numérique dans un domaine de IR2 ou IR3." Pau, 1985. http://www.theses.fr/1985PAUUA001.
Full textBarajas, Freddy Hernandez. "Modelos multiníveis Weibull com efeitos aleatórios." Universidade de São Paulo, 2013. http://www.teses.usp.br/teses/disponiveis/45/45133/tde-07052013-203915/.
Full textMultilevel models are a class of models useful in the analysis of datasets with hierarchical structure. In the present work we propose multilevel Weibull models in which random intercepts are considered to model the two parameters of the Weibull distribution. The proposed models are flexible due to random intercepts distribution can be chosen from one of the four following distributions: normal, log-gamma, logistics and Cauchy. An extension of the models is presented in which we can include, in the systematic part of the two parameters of the distribution, random intercepts and slopes with a bivariate normal distribution. The parameter estimation is performed by maximum likelihood method using the Gauss Hermite quadrature to approximate the likelihood function. A package in R language was especially developed to obtain parameter estimation, random effects predictions and residuals for the proposed models. Additionally, through a simulation study we investigated the misspecification random effect distribution on estimated parameter for the proposed model
Pujet, Alphonse Christophe. "Des quadratures Suivi de Sur les mouvements simultanés d'un système de points matériels assujettis à rester constamment dans un plan passant par l'origine des coordonnées /." Paris : Bibliothèque universitaire Pierre et Marie Curie (BUPMC), 2009. http://jubil.upmc.fr/sdx/pl/toc.xsp?id=TH_000277_001&fmt=upmc&idtoc=TH_000277_001-pleadetoc&base=fa.
Full textEzzirani, Abdelkrim. "Construction de formules de quadrature pour des systèmes de Tchebyshev avec applications aux méthodes spectrales." Pau, 1996. http://www.theses.fr/1996PAUU3035.
Full textGuessab, Allal. "Sur les formules de quadrature numérique à nombre minimal de noeuds dans un domaine de IR(n)." Pau, 1987. http://www.theses.fr/1988PAUU3011.
Full textKzaz, Mustapha. "Accélération de la convergence de la formule de quadrature de Gauss-Jacobi dans le cas des fonctions analytiques." Lille 1, 1992. http://www.theses.fr/1992LIL10174.
Full textMOURA, Márcio José das Chagas. "Novel and faster ways for solving semi-markov processes: mathematical and numerical issues." Universidade Federal de Pernambuco, 2009. https://repositorio.ufpe.br/handle/123456789/4939.
Full textPetróleo Brasileiro S/A
Processos semi-Markovianos (SMP) contínuos no tempo são importantes ferramentas estocásticas para modelagem de métricas de confiabilidade ao longo do tempo para sistemas para os quais o comportamento futuro depende dos estados presente e seguinte assim como do tempo de residência. O método clássico para resolver as probabilidades intervalares de transição de SMP consiste em aplicar diretamente um método geral de quadratura às equações integrais. Entretanto, esta técnica possui um esforço computacional considerável, isto é, N2 equações integrais conjugadas devem ser resolvidas, onde N é o número de estados. Portanto, esta tese propõe tratamentos matemáticos e numéricos mais eficientes para SMP. O primeiro método, o qual é denominado 2N-, é baseado em densidades de frequência de transição e métodos gerais de quadratura. Basicamente, o método 2N consiste em resolver N equações integrais conjugadas e N integrais diretas. Outro método proposto, chamado Lap-, é baseado na aplicação de transformadas de Laplace as quais são invertidas por um método de quadratura Gaussiana, chamado Gauss Legendre, para obter as probabilidades de estado no domínio do tempo. Formulação matemática destes métodos assim como descrições de seus tratamentos numéricos, incluindo questões de exatidão e tempo para convergência, são desenvolvidas e fornecidas com detalhes. A efetividade dos novos desenvolvimentos 2N- e Lap- serão comparados contra os resultados fornecidos pelo método clássico por meio de exemplos no contexto de engenharia de confiabilidade. A partir destes exemplos, é mostrado que os métodos 2N- e Lap- são significantemente menos custosos e têm acurácia comparável ao método clássico
Roman, Jean. "Complexité d'algorithmes de séparation de graphes pour des implémentations séquentielles et réparties de l'élimination de Gauss." Bordeaux 1, 1987. http://www.theses.fr/1987BOR10582.
Full textManco, Olga Cecilia Usuga. "Modelos de regressão beta com efeitos aleatórios normais e não normais para dados longitudinais." Universidade de São Paulo, 2013. http://www.teses.usp.br/teses/disponiveis/45/45133/tde-10072013-234405/.
Full textThe class of beta regression models has been studied extensively. However, there are few studies on the inclusion of random effects and models with flexible random effects distributions besides prediction and diagnostic methods. In this work we proposed a beta regression models with normal and not normal random effects for longitudinal data. The maximum likelihood method and the empirical Bayes approach are used to obtain the estimates and the best prediction. Also, the Gauss-Hermite quadrature is used to approximate the likelihood function. Model selection methods and residual analysis were also proposed.We implemented a BLMM package in R to perform all procedures. The estimation procedure and the empirical distribution of residuals were analyzed through simulation studies considering differents random effects distributions, values for the number of individuals, number of observations per individual and covariance structures for the random effects. The results of simulation studies showed that the estimation procedure obtain better results when the number of individuals and the number of observations per individual increase. These studies also showed that the empirical distribution of the quantile randomized residual follows a normal distribution. The methodolgy presented is a tool for analyzing longitudinal data restricted to a interval (0; 1).
Nicu, Ana-Maria. "Approximation et représentation des fonctions sur la sphère. Applications à la géodésie et à l'imagerie médicale." Phd thesis, Université de Nice Sophia-Antipolis, 2012. http://tel.archives-ouvertes.fr/tel-00671453.
Full textJoulak, Hédi. "Quasi-orthogonalité : avancées et applications." Lille 1, 2007. https://pepite-depot.univ-lille.fr/LIBRE/Th_Num/2007/50376-2007-Joulak.pdf.
Full textLobos, Cristian Marcelo Villegas. "Modelos log-Birnbaum-Saunders mistos." Universidade de São Paulo, 2010. http://www.teses.usp.br/teses/disponiveis/45/45133/tde-05112010-114755/.
Full textThe aim of this work is to introduce the log-Birnbaum-Saunders mixed models (log-BS mixed models) and to extend the results to log-Birnbaum-Saunders Student-t mixed models (log-BS-t mixed models). The log-BS models are well-known since the work by Rieck and Nedelman (1991) and particularly have received great attention in the last 10 years with various published papers in international journals. However, the emphasis given in such works has been in fixed-effects models with few attention given to random-effects models. Firstly, we present in this work a review on Birnbaum-Saunders and generalized Birnbaum-Saunders distributions and so we discuss log-BS and log-BS-t fixed-effects models for which some results on estimation and diagnostic are presented. Then, we introduce the log-BS mixed models preceded by a review on Gauss-Hermite quadrature. Although the parameter estimation of the marginal log-BS and log-BS-t mixed models are performed in the procedure NLMIXED of SAS (Littell et al., 1996), we apply the quadrature methods in order to obtain approximations for the likelihood function of the log-BS and log-BS-t random intercept models. These approximations are used to derive the respective score functions, observed information matrices as well as the normal curvature of local influence (Cook, 1986) under some usual perturbation schemes. Discussions on the prediction of the random effects, variance component tests and residual analysis are also given. Finally, we compare the fits of log-BS and log-BS-t mixed models to a real data set. Diagnostic methods are used in the comparisons.
Belantari, Abdelhak. "Procédures d'estimation de l'erreur dans l'approximation de type Padé." Lille 1, 1989. http://www.theses.fr/1989LIL10111.
Full textCenzato, Rebecca. "Analisi e soluzione numerica dell'equazione di Lippmann-Schwinger." Bachelor's thesis, Alma Mater Studiorum - Università di Bologna, 2018. http://amslaurea.unibo.it/16366/.
Full textFarias, Thais Machado. "Determinação de espectros de relaxação e distribuição de massa molar de polímeros lineares por reometria." reponame:Biblioteca Digital de Teses e Dissertações da UFRGS, 2009. http://hdl.handle.net/10183/19005.
Full textThe molecular weight distribution (MWD) and its parameters are of the fundamental importance in the characterization of polymers. Therefore, the development of techniques for faster and less time consuming determination of the MWD is of great practical relevance. The goals of this work were the implementation of some of the relaxation models from double reptation theory proposed in the literature, the evaluation of these implementations and the analysis of two key points in the recovery of the MWD from rheological data which are the methodology for calculation of the relaxation spectrum based on the Maxwell model and the numeric strategy for the evaluation of the integrals appearing in the relaxation models. The inverse problem, i.e., the determination of the MWD from rheological data using a specified relaxation model and an imposed distribution function, was solved. In the analysis of the inverse problem, the Generalized Exponential (GEX) was used as distribution function and two approaches were considered: i) explicit calculation of the relaxation spectrum and ii) use of the parametric method proposed by Schwarzl to avoid the explicit calculation of the relaxation spectrum. In the test of commercial samples of polyethylene with polidispersity less than 10, the application of this methodology led to MWD curves which provided good fit of the experimental SEC data. Regarding the methodology for calculation of the relaxation spectrum, a comparison between the performance of discrete and continuous relaxation spectrum was performed and some possible a criteria to determine the appropriate number of relaxation modes of Maxwell to be used were evaluated. It was found that the technique of discrete spectrum leads to better conditioned systems and, consequently, greater reliability of the estimated parameters. With relation to the numeric strategy for the evaluation of the integrals appearing in the relaxation models, the use of Gauss-Hermite quadrature using a new change of variables was proposed.
Falon, Roger Jesus Tovar. "Modelos de regressão lineares mistos sob a classe de distribuições normal-potência." Universidade de São Paulo, 2017. http://www.teses.usp.br/teses/disponiveis/45/45133/tde-15032018-132547/.
Full textIn this work some extensions of the alpha-power models are presented, assuming the context in which the observations are censored or limited. Initially we propose a new asymmetric model that extends the skew-t (Azzalini e Capitanio, 2003) and power-t (Zhao e Kim, 2016) models and includes the Students t-distribution as a particular case. This new model is able to adjust data with a high degree of asymmetry and cursose, even higher than the skew-t and power-t models. Then we extend the power-t model to situations in which the data present censorship, with a high degree of asymmetry and heavy tails. This model generalizes the Students t linear censored regression model t by Arellano-Valle et al. (2012) The work also introduces the power-normal linear mixed model for asymmetric data. Here statistical inference is performed from a classical perspective using the maximum likelihood method together with the Gauss-Hermite numerical integration method to approximate the integrals involved in the likelihood function. Later, the linear model with random intercepts for doubly censored data is studied. This model is developed under the assumption that errors and random effects follow power-normal and skew-normal distributions. For all the models studied, simulation studies were carried out to study their benefits and limitations. Finally, all proposed methods with real data are illustrated.
Tang, Xiongwen. "Two-level lognormal frailty model and competing risks model with missing cause of failure." Diss., University of Iowa, 2012. https://ir.uiowa.edu/etd/2997.
Full textGoulard, Michel. "Champs spatiaux et statistique multidimensionnelle." Grenoble 2 : ANRT, 1988. http://catalogue.bnf.fr/ark:/12148/cb376138909.
Full textMoraru, Laurentiu Eugen. "Numerical Predictions and Measurements in the Lubrication of Aeronautical Engine and Transmission Components." University of Toledo / OhioLINK, 2005. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1125769629.
Full textRehnby, Nicklas. "Performance of alternative option pricing models during spikes in the FTSE 100 volatility index : Empirical evidence from FTSE100 index options." Thesis, Linköpings universitet, Institutionen för ekonomisk och industriell utveckling, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-139718.
Full textSilva, Eveliny Barroso da. "Contribuições em modelos de regressão com erro de medida multiplicativo." Universidade Federal de São Carlos, 2016. https://repositorio.ufscar.br/handle/ufscar/7738.
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In regression models in which a covariate is measured with error, it is common to use structures that correlate the observed covariate with the true non-observed covariate. Such structures are usually additive or multiplicative. In the literature there are several interesting works that deal with regression models having an additive measurement error, many of which are linear models with covariate and measurement error normally distributed. For models having a multiplicative measurement error, one does not find in the literature the same theoretical amount of works as one finds for models in which the measurement error is additive. The same happens in situations where the supositions of normality for the covariates and the measurement errors do not apply. The present work proposes the construction, definition, estimation methods, and diagnostic analysis for the regression models with a multiplicative measurement error in one of the covariates. For these models it is considered that the response variable may belong either to the class of modified power series regression models or to the exponential family. The list of distributions belonging to the family modified power series is rather comprehensive; for this reason this work develops, firstly and in a general way, the models estimation and validation theory, and, as an example, presents the model of negative binomial regression with measurement error. In the case where the response variable belongs to the exponential family, the model of beta regression with multiplicative measurement error is presented. All proposed models were analysed through simulation studies and applied to real data sets.
Em modelos de regressão em que uma covariável é medida com erro, é comum o uso de estruturas que relacionam a covariável observada com a verdadeira covariável não observada. Essas estruturas são usualmente aditivas ou multiplicativas. Na literatura existem diversos trabalhos interessantes que tratam de modelos de regressão com erro de medida aditivo, muitos dos quais são modelos lineares com covariáveis e erro de medida normalmente distribuídos. Para modelos em que o erro de medida é multiplicativo, não se encontra na literatura o mesmo desenvolvimento teórico encontrado para modelos em que o erro de medida é aditivo. O mesmo vale para situações em que as suposições de normalidade para as covariáveis e erro de medida não se aplicam. Este trabalho propõe a construção, definição, métodos de estimação e análise de diagnóstico para modelos de regressão com erro de medida multiplicativo em uma das covariáveis. Para esses modelos, consideramos que a variável resposta possa pertencer ou à classe de modelos de regressão série de potências modificadas ou à família exponencial. O rol de distribuições pertencentes à família série de potências modificada é bem abrangente, portanto, neste trabalho, desenvolvemos a teoria de estimação e validação do modelo primeiramente de forma geral e, para exemplificar, apresentamos o modelo de regressão binomial negativa com erro de medida. Para o caso em que a variável resposta pertença à família exponencial, apresentamos o modelo de regressão beta com erro de medida multiplicativo. Todos os modelos propostos foram analisados através de estudos de simulação e aplicados a conjuntos de dados reais.
Addam, Mohamed. "Approximation du problème de diffusion en tomographie optique et problème inverse." Littoral, 2010. http://www.theses.fr/2010DUNK0278.
Full textThe purpose of this thesis is to develop and to study numerical methods for the solution of some Partial Differential Equations (PDE) such as the diffusion transport problem in optical tomography. The presented work can be partitioned into two parts. In the first part, we consider the direct problem and in the second part, we treat the inverse problem. For the direct problem, we assume that the optical parameters and the source functions are given. Here, the density of the luminous flow is considered as an unknown function to be approached numerically. Generally, to reconstruct the numerical signal, a mesh-technique (in the time variable) is necessary. To avoid such a discretisation, we will use a technique based on the Fourier transform and its inverse. These methods use the Gauss-Hermite quadrature as well as Galerkin method based on Bsplines, B-splines tensorial and radial basis functions (RBF). The B-splines are used in the one-dimension case while the tensorial B-splines are used when the domain is rectangular with a uniform mesh. When the domain is not rectangular any more, we use the radial basis functions. From the theoretical point of view, we will study the existence, the uniqueness and the regularity of the solution and then we propose some results on the estimation of the error in Sobolev-type spaces. In the second part of this work, we are interested in the diffusion inverse problem : a non-linear inverse problem. We suppose that the measures of the luminous flow in the edges of the domain and the source functions are given. We will give some theoretical results such as the continuity and the differentiability, in the Fréchet sense of the operator defined to measure the luminous flow detected on the edges of the domain. From the numerical point of view adds, we will be interested in the discreet case using B-splines and radial basis functions. We will use the Newton method to solve the non-linear inverse diffusion problem
Addam, Mohamed. "Approximation du problème diffusion en tomographie optique et problème inverse." Phd thesis, Université du Littoral Côte d'Opale, 2009. http://tel.archives-ouvertes.fr/tel-00579257.
Full textFookes, Clinton Brian. "Medical Image Registration and Stereo Vision Using Mutual Information." Queensland University of Technology, 2003. http://eprints.qut.edu.au/15876/.
Full textBoutry, Grégory. "Contributions à l'approximation et à l'algèbre linéaire numérique." Lille 1, 2003. https://pepite-depot.univ-lille.fr/RESTREINT/Th_Num/2003/50376-2003-301.pdf.
Full textTomaschewski, Fernanda Krüger. "Solução da equação Sn multigrupo de transporte dependente do tempo em meio heterogêneo." reponame:Biblioteca Digital de Teses e Dissertações da UFRGS, 2012. http://hdl.handle.net/10183/61142.
Full textIn this dissertation is presented an analytical solution for the approximation SN transport equation with the time dependent power, to homogeneous plates as to heterogeneous, assuming a multigroup model with isotropic scattering. The main idea involves the following steps, in this order: construction of a solution to the equation mentioned in a homogeneous plate by applying the technique of the double Laplace transform. In order to do this, is applied the Laplace transform in time variable, solving the resulting equation by the LTSN method. Finally is determined he solution sought for the angular flux using the theorem of inverted Laplace transform. By this procedure the solution is written in terms of a line integral in the time variable, which here is measured by the following numerical schemes: Gauss quadrature, Fourier series, Gaver-Stehfest and Gaver-Wynn-Rho. Once the solution for the homogeneous problem is known, is determined the solution for the multilayered slab assigning this homogeneous solution for a generic slab, which allow us to obtain the global solution for the one that is heterogeneous applying the boundary condition, and also imposing the continuity condition for the angular flux at interface. Finally is concluded, reporting numerical comparisons among the results attained by the Laplace transform inversion approaches considered, as well the assymptotic behavior of this solution when time goes to infinity.
Tchiotsop, Daniel. "Modélisations polynomiales des signaux ECG : applications à la compression." Thesis, Vandoeuvre-les-Nancy, INPL, 2007. http://www.theses.fr/2007INPL088N/document.
Full textDeveloping new ECG data compression methods has become more important with the implementation of telemedicine. In fact, compression schemes could considerably reduce the cost of medical data transmission through modern telecommunication networks. Our aim in this thesis is to elaborate compression algorithms for ECG data, using orthogonal polynomials. To start, we studied ECG physiological origin, analysed this signal patterns, including characteristic waves and some signal processing procedures generally applied ECG. We also made an exhaustive review of ECG data compression algorithms, putting special emphasis on methods based on polynomial approximations or polynomials interpolations. We next dealt with the theory of orthogonal polynomials. We tackled on the mathematical construction and studied various and interesting properties of orthogonal polynomials. The modelling of ECG signals with orthogonal polynomials includes two stages: Firstly, ECG signal should be divided into blocks after QRS detection. These blocks must match with cardiac cycles. The second stage is the decomposition of blocks into polynomial bases. Decomposition let to coefficients which will be used to synthesize reconstructed signal. Compression is the fact of using a small number of coefficients to represent a block made of large number of signal samples. We realised ECG signals decompositions into some orthogonal polynomials bases: Laguerre polynomials and Hermite polynomials did not bring out good signal reconstruction. Interesting results were recorded with Legendre polynomials and Tchebychev polynomials. Consequently, our first algorithm for ECG data compression was designed using Jacobi polynomials. This algorithm could be optimized by suppression of boundary effects, it then becomes universal and could be used to compress other types of signal such as audio and image signals. Although Laguerre polynomials and Hermite functions could not individually let to good signal reconstruction, we imagined an association of both systems of functions to realize ECG compression. For that matter, every block of ECG signal that matches with a cardiac cycle is split in two parts. The first part consisting of the baseline section of ECG is decomposed in a series of Laguerre polynomials. The second part made of P-QRS-T waves is modelled with Hermite functions. This second algorithm for ECG data compression is robust and very competitive
Meguellati, Fatima. "Estimation par approximation de Laplace dans les modèles GLM Mixtes : application à la gravité corporelle maximale des accidents de la route." Thesis, Lille 1, 2014. http://www.theses.fr/2014LIL10204/document.
Full textThis thesis is a contribution to the construction of statistical methods for the evaluation (modeling and estimation) of some indices used to analyze the injury severity of road crashes. We focus on four points during the development of the adopted methodology: the random variables (or factors) selection, the construction of mixed logistic-Normal model, the parameters estimation by Laplace approximation and PQL (penalized quasi-likelihood) and the performance comparison of the estimation methods. In a first contribution, a logistic-Normal model is constructed with "collision type" as random variable to analyze the maximum injury severity observed in a sample of crashed vehicles. Estimation methods based on the Laplace approximation of the log-likelihood are proposed to estimate and analyze the contribution of variables in the model. We compare, by simulation, this Laplacian approximation to those based on the adaptation of Gauss-Hermite polynomials (AGH). We show that the two approaches are equivalent with respect to the accuracy of the estimate although AGH is superior. A second contribution is to adapt some algorithms of PQL family to estimate the parameters of a second model and compare its performance to Laplace and AGH methods in terms of bias. Two examples of simulated data illustrate the obtained results. In a third and dense contribution, we identify several mixed logistic-Normal models with more than one random effect. The convergence of the algorithms (Laplace, AGH, and PQL) and the precision of the estimates are investigated. Simulations as well as a database of detailed crash data are used to analyze the models performance to detect vehicles containing users with maximum injury severity. Programming oriented R accompany all results. The thesis concludes with perspectives on GLM Mixed models selection criteria and the extension of these models to the multinomial family
Martin, Petitfrere. "EOS based simulations of thermal and compositional flows in porous media." Thesis, Pau, 2014. http://www.theses.fr/2014PAUU3036/document.
Full textThree to four phase equilibrium calculations are in the heart of tertiary recovery simulations. In gas/steam injection processes, additional phases emerging from the oil-gas system are added to the set and have a significant impact on the oil recovery. The most important computational effort in many chemical process simulators and in petroleum compositional reservoir simulations is required by phase equilibrium and thermodynamic property calculations. In field scale reservoir simulations, a huge number of phase equilibrium calculations is required. For all these reasons, the algorithms must be robust and time-saving. In the literature, few simulators based on equations of state (EoS) are applicable to thermal recovery processes such as steam injection. To the best of our knowledge, no fully compositional thermal simulation of the steam injection process has been proposed with extra-heavy oils; these simulations are essential and will offer improved tools for predictive studies of the heavy oil fields. Thus, in this thesis different algorithms of improved efficiency and robustness for multiphase equilibrium calculations are proposed, able to handle conditions encountered during the simulation of steam injection for heavy oil mixtures. Most of the phase equilibrium calculations are based on the Newton method and use conventional independent variables. These algorithms are first investigated and different improvements are proposed. Michelsen’s (Fluid Phase Equil. 9 (1982) 21-40) method for multiphase-split problems is modified to take full advantage of symmetry (in the construction of the Jacobian matrix and the resolution of the linear system). The reduction methods enable to reduce the space of study from nc (number of components) for conventional variables to M (M<
Ourique, Luiz Eduardo. "Eficiência probabilística de algoritmos numéricos." reponame:Biblioteca Digital de Teses e Dissertações da UFRGS, 1990. http://hdl.handle.net/10183/127095.
Full textFollowing the ideas of S. Smale, we study the probabilistic efficiency of numerical algorithms in ordinary differential equations. Special attention is directed to two classical examples: the algorithms of Runge-Kutta of two and four stages with their efficiency estimated in terms of gaussian measures. In both these cases detailed estimates are given. leading to an expression for the mean global error.
Tchiotsop, Daniel. "Modélisations polynomiales des signaux ECG. Application à la compression." Phd thesis, Institut National Polytechnique de Lorraine - INPL, 2007. http://tel.archives-ouvertes.fr/tel-00197549.
Full textAloui, Asma. "Approche combinée théorie-expérience pour la catalyse d’hydrogénation asymétrique." Thesis, Lyon 1, 2010. http://www.theses.fr/2010LYO10291/document.
Full textSeveral studies brought back the influence of the hydrogen pressure, more precisely the real hydrogen concentration dissolved in solution, on the enantioselectivity of the catalytic asymmetric hydrogenation for rhodium based catalysts. However to identify the enantiodetermining step(s), and to gain some further understanding on the hydrogen pressure-enantioselectivity relationship, the determination of the kinetic constants is required. We have thus embarked a project aiming such determination by coupling experimental work and theoretical chemistry. Two studies were undertaken on the asymmetric hydrogenation of both substrates by the Rh (I)/ (R,R)-Me-bpe catalyst. The experimental kinetic work study is based on the kinetic model suggested by Halpern in order to estimate the parameters kinetic of each elementary step, whereas that theoretical, consists in studying the various possible pathways by DFT calculation using the software of modelling Gaussian 03. The analysis of the obtained results made it possible to revisit the concepts’ key of the catalytic asymmetric hydrogenation and to hold a discussion about the reliability of the theoretical methods to envisage the experiment
Sauer, Laurete Zanol. "Solução da equação de transporte multigrupo com núcleo de espalhamento de Klein-Nishina : uma aplicação ao cálculo de dose." reponame:Biblioteca Digital de Teses e Dissertações da UFRGS, 1997. http://hdl.handle.net/10183/127097.
Full textIn this work we propose a solution to the multigroup transport equation with Klein-Nishina scattering kernel. The main ielea is the approximation of the integral energy term such that we obtain the final solution for eliscrete energy values. We solve the resulting system, in terrns of the spacial anel angular variable, using the LTSN methoel, that provieles an analytical solution to the cliscrete ordinates problem. vVe applieel the formulation on the calculation of the elosis anel we present numerical results for four anel five energy values.
Vu, Thi Lan Huong. "Analyse statistique locale de textures browniennes multifractionnaires anisotropes." Thesis, Aix-Marseille, 2019. http://www.theses.fr/2019AIXM0094.
Full textWe deal with some anisotropic extensions of the multifractional brownian fields that account for spatial phenomena whose properties of regularity and directionality may both vary in space. Our aim is to set statistical tests to decide whether an observed field of this kind is heterogeneous or not. The statistical methodology relies upon a field analysis by quadratic variations, which are averages of square field increments. Specific to our approach, these variations are computed locally in several directions. We establish an asymptotic result showing a linear gaussian relationship between these variations and parameters related to regularity and directional properties of the model. Using this result, we then design a test procedure based on Fisher statistics of linear gaussian models. Eventually we evaluate this procedure on simulated data. Finally, we design some algorithms for the segmentation of an image into regions of homogeneous textures. The first algorithm is based on a K-means procedure which has estimated parameters as input and takes into account their theoretical probability distributions. The second algorithm is based on an EM algorithm which involves continuous execution ateach 2-process loop (E) and (M). The values found in (E) and (M) at each loop will be used for calculations in the next loop. Eventually, we present an application of these algorithms in the context of a pluridisciplinary project which aims at optimizing the deployment of photo-voltaic panels on the ground. We deal with a preprocessing step of the project which concerns the segmentation of images from the satellite Sentinel-2 into regions where the cloud cover is homogeneous
Yang, Mingming. "Development of the partition of unity finite element method for the numerical simulation of interior sound field." Thesis, Compiègne, 2016. http://www.theses.fr/2016COMP2282/document.
Full textIn this work, we have introduced the underlying concept of PUFEM and the basic formulation related to the Helmholtz equation in a bounded domain. The plane wave enrichment process of PUFEM variables was shown and explained in detail. The main idea is to include a priori knowledge about the local behavior of the solution into the finite element space by using a set of wave functions that are solutions to the partial differential equations. In this study, the use of plane waves propagating in various directions was favored as it leads to efficient computing algorithms. In addition, we showed that the number of plane wave directions depends on the size of the PUFEM element and the wave frequency both in 2D and 3D. The selection approaches for these plane waves were also illustrated. For 3D problems, we have investigated two distribution schemes of plane wave directions which are the discretized cube method and the Coulomb force method. It has been shown that the latter allows to get uniformly spaced wave directions and enables us to acquire an arbitrary number of plane waves attached to each node of the PUFEM element, making the method more flexible.In Chapter 3, we investigated the numerical simulation of propagating waves in two dimensions using PUFEM. The main priority of this chapter is to come up with an Exact Integration Scheme (EIS), resulting in a fast integration algorithm for computing system coefficient matrices with high accuracy. The 2D PUFEM element was then employed to solve an acoustic transmission problem involving porous materials. Results have been verified and validated through the comparison with analytical solutions. Comparisons between the Exact Integration Scheme (EIS) and Gaussian quadrature showed the substantial gain offered by the EIS in terms of CPU time.A 3D Exact Integration Scheme was presented in Chapter 4, in order to accelerate and compute accurately (up to machine precision) of highly oscillatory integrals arising from the PUFEM matrix coefficients associated with the 3D Helmholtz equation. Through convergence tests, a criteria for selecting the number of plane waves was proposed. It was shown that this number only grows quadratically with the frequency thus giving rise to a drastic reduction in the total number of degrees of freedoms in comparison to classical FEM. The method has been verified for two numerical examples. In both cases, the method is shown to converge to the exact solution. For the cavity problem with a monopole source located inside, we tested two numerical models to assess their relative performance. In this scenario where the exact solution is singular, the number of wave directions has to be chosen sufficiently high to ensure that results have converged. In the last Chapter, we have investigated the numerical performances of the PUFEM for solving 3D interior sound fields and wave transmission problems in which absorbing materials are present. For the specific case of a locally reacting material modeled by a surface impedance. A numerical error estimation criteria is proposed by simply considering a purely imaginary impedance which is known to produce real-valued solutions. Based on this error estimate, it has been shown that the PUFEM can achieve accurate solutions while maintaining a very low computational cost, and only around 2 degrees of freedom per wavelength were found to be sufficient. We also extended the PUFEM for solving wave transmission problems between the air and a porous material modeled as an equivalent homogeneous fluid. A simple 1D problem was tested (standing wave tube) and the PUFEM solutions were found to be around 1% error which is sufficient for engineering purposes
Lo, Chiang-Wei, and 羅蔣偉. "Statistical Analysis for Multivariate Current Status Data with Gauss-quadrature Method." Thesis, 2013. http://ndltd.ncl.edu.tw/handle/90665935086248986836.
Full text靜宜大學
財務與計算數學系
101
The current status is obtained due to a unique examination time. Therefore, the researchers can only know whether the event has occurred before this time point or not. If the event has occurred before the examination time, the event time of interest is left-censored, otherwise it is right-censored. The multivariate current status data arise if the researches consider multiple events simultaneously. There are a lot of literature about the statistical analysis of the multivariable current status data, but their proposed approaches are usually computationally demanding. In this thesis, we propose the Gauss-quadrature method to approximate likelihood function, and to obtain the approximate maximum likelihood estimation. We can investigate the performance of this method through simulation and illustration of the approach by real data.
Κωστόπουλος, Δημήτριος. "Κανόνας ολοκλήρωσης του Gauss και ορθογώνια πολυώνυμα." Thesis, 2007. http://nemertes.lis.upatras.gr/jspui/handle/10889/573.
Full textA survey on gaussian quqdrature rules. Representation and estimates of its remainder. And about its convergence.
Gagnon, Jacob A. "A hierarchical spherical radial quadrature algorithm for multilevel GLMMs, GSMMs, and gene pathway analysis." 2010. https://scholarworks.umass.edu/dissertations/AAI3427529.
Full textYue, Tianyao. "Spectral Element Method for Pricing European Options and Their Greeks." Diss., 2012. http://hdl.handle.net/10161/6156.
Full textNumerical methods such as Monte Carlo method (MCM), finite difference method (FDM) and finite element method (FEM) have been successfully implemented to solve financial partial differential equations (PDEs). Sophisticated computational algorithms are strongly desired to further improve accuracy and efficiency.
The relatively new spectral element method (SEM) combines the exponential convergence of spectral method and the geometric flexibility of FEM. This dissertation carefully investigates SEM on the pricing of European options and their Greeks (Delta, Gamma and Theta). The essential techniques, Gauss quadrature rules, are thoroughly discussed and developed. The spectral element method and its error analysis are briefly introduced first and expanded in details afterwards.
Multi-element spectral element method (ME-SEM) for the Black-Scholes PDE is derived on European put options with and without dividend and on a condor option with a more complicated payoff. Under the same Crank-Nicolson approach for the time integration, the SEM shows significant accuracy increase and time cost reduction over the FDM. A novel discontinuous payoff spectral element method (DP-SEM) is invented and numerically validated on a European binary put option. The SEM is also applied to the constant elasticity of variance (CEV) model and verified with the MCM and the valuation formula. The Stochastic Alpha Beta Rho (SABR) model is solved with multi-dimensional spectral element method (MD-SEM) on a European put option. Error convergence for option prices and Greeks with respect to the number of grid points and the time step is analyzed and illustrated.
Dissertation
Zhang, Yilei Abbie. "Exploring the Importance of Accounting for Nonlinearity in Correlated Count Regression Systems from the Perspective of Causal Estimation and Inference." Diss., 2007. http://hdl.handle.net/1805/26379.
Full textThe main motivation for nearly all empirical economic research is to provide scientific evidence that can be used to assess causal relationships of interest. Essential to such assessments is the rigorous specification and accurate estimation of parameters that characterize the causal relationship between a presumed causal variable of interest, whose value is to be set and altered in the context of a relevant counterfactual and a designated outcome of interest. Relationships of this type are typically characterized by an effect parameter (EP) and estimation of the EP is the objective of the empirical analysis. The present research focuses on cases in which the regression outcome of interest is a vector that has count-valued elements (i.e., the model under consideration comprises a multi-equation system of equations). This research examines the importance of account for nonlinearity and cross-equation correlations in correlated count regression systems from the perspective of causal estimation and inference. We evaluate the efficiency and accuracy gains of estimating bivariate count valued systems-of-equations models by comparing three pairs of models: (1) Zellner’s Seemingly Unrelated Regression (SUR) versus Count-Outcome SUR - Conway Maxwell Poisson (CMP); (2) CMP SUR versus Single-Equation CMP Approach; (3) CMP SUR versus Poisson SUR. We show via simulation studies that it is more efficient to estimate jointly than equation-by-equation, it is more efficient to account for nonlinearity. We also apply our model and estimation method to real-world health care utilization data, where the dependent variables are correlated counts: count of physician office-visits, and count of non-physician health professional office-visits. The presumed causal variable is private health insurance status. Our model results in a reduction of at least 30% in standard errors for key policy EP (e.g., Average Incremental Effect). Our results are enabled by our development of a Stata program for approximating two-dimensional integrals via Gauss-Legendre Quadrature.
Zhang, Yilei. "Exploring the Importance of Accounting for Nonlinearity in Correlated Count Regression Systems from the Perspective of Causal Estimation and Inference." Diss., 2021. http://hdl.handle.net/1805/26379.
Full textThe main motivation for nearly all empirical economic research is to provide scientific evidence that can be used to assess causal relationships of interest. Essential to such assessments is the rigorous specification and accurate estimation of parameters that characterize the causal relationship between a presumed causal variable of interest, whose value is to be set and altered in the context of a relevant counterfactual and a designated outcome of interest. Relationships of this type are typically characterized by an effect parameter (EP) and estimation of the EP is the objective of the empirical analysis. The present research focuses on cases in which the regression outcome of interest is a vector that has count-valued elements (i.e., the model under consideration comprises a multi-equation system of equations). This research examines the importance of account for nonlinearity and cross-equation correlations in correlated count regression systems from the perspective of causal estimation and inference. We evaluate the efficiency and accuracy gains of estimating bivariate count valued systems-of-equations models by comparing three pairs of models: (1) Zellner’s Seemingly Unrelated Regression (SUR) versus Count-Outcome SUR - Conway Maxwell Poisson (CMP); (2) CMP SUR versus Single-Equation CMP Approach; (3) CMP SUR versus Poisson SUR. We show via simulation studies that it is more efficient to estimate jointly than equation-by-equation, it is more efficient to account for nonlinearity. We also apply our model and estimation method to real-world health care utilization data, where the dependent variables are correlated counts: count of physician office-visits, and count of non-physician health professional office-visits. The presumed causal variable is private health insurance status. Our model results in a reduction of at least 30% in standard errors for key policy EP (e.g., Average Incremental Effect). Our results are enabled by our development of a Stata program for approximating two-dimensional integrals via Gauss-Legendre Quadrature.
Otava, Martin. "Metody výpočtu maximálně věrohodných odhadů v zobecněném lineárním smíšeném modelu." Master's thesis, 2011. http://www.nusl.cz/ntk/nusl-300455.
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