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We consider a mixed variational formulation recently proposed for the coupling of the Brinkman--Forchheimer and Darcy equations and develop the first reliable and efficient residual-based a posteriori error estimator for the 2D version of…

Numerical Analysis · Mathematics 2024-12-02 Sergio Caucao , Paulo Zúñiga

A novel residual-type {\it a posteriori} error analysis technique is developed for multipoint flux mixed finite element methods for flow in porous media in two or three space dimensions. The derived {\it a posteriori} error estimator for…

Numerical Analysis · Mathematics 2013-12-24 Shaohong Du , Shuyu Sun , Xiaoping Xie

We present an efficient algorithm for one- and two-component relativistic exact-decoupling calculations. Spin-orbit coupling is thus taken into account for the evaluation of relativistically transformed (one-electron) Hamiltonian. As the…

Chemical Physics · Physics 2013-05-10 Daoling Peng , Nils Middendorf , Florian Weigend , Markus Reiher

In this paper, we study the adaptive planewave discretization for a cluster of eigenvalues of second-order elliptic partial differential equations. We first design an a posteriori error estimator and prove both the upper and lower bounds.…

Numerical Analysis · Mathematics 2022-10-28 Xiaoying Dai , Yan Pan , Bin Yang , Aihui Zhou

In a general setting, we study a posteriori estimates used in finite element analysis to measure the error between a solution and its approximation. The latter is not necessarily generated by a finite element method. We show that the error…

Numerical Analysis · Mathematics 2025-07-09 Thomas Führer , Sergio Rojas

This article is a review on basic concepts and tools devoted to a posteriori error estimation for problems solved with the Finite Element Method. For the sake of simplicity and clarity, we mostly focus on linear elliptic diffusion problems,…

Numerical Analysis · Mathematics 2021-10-06 Ludovic Chamoin , Frederic Legoll

A new technique of residual-type a posteriori error analysis is developed for the lowest-order Raviart-Thomas mixed finite element discretizations of convection-diffusion-reaction equations in two- or three-dimension. Both centered mixed…

Numerical Analysis · Mathematics 2015-03-26 Shaohong Du , Xiaoping Xie

We present the working equations for a reduced-scaling method of evaluating the perturbative triples (T) energy in coupled-cluster theory, through the tensor hypercontraction (THC) of the triples amplitudes ($t_{ijk}^{abc}$). Through our…

Chemical Physics · Physics 2024-06-12 Andy Jiang , Justin M. Turney , Henry F. Schaefer

An explicit and computable error estimator for the $hp$ version of the virtual element method (VEM), together with lower and upper bounds with respect to the exact energy error, is presented. Such error estimator is employed to provide $hp$…

Numerical Analysis · Mathematics 2019-06-21 L. Beirão da Veiga , G. Manzini , L. Mascotto

In this article, we develop a posteriori error analysis of a nonconforming finite element method for a linear quadratic elliptic distributed optimal control problem with two different set of constraints, namely (i) integral state constraint…

Optimization and Control · Mathematics 2021-08-09 Kamana Porwal , Pratibha Shakya

Inverse problems use physical measurements along with a computational model to estimate the parameters or state of a system of interest. Errors in measurements and uncertainties in the computational model lead to inaccurate estimates. This…

Numerical Analysis · Mathematics 2015-02-02 Vishwas Rao , Adrian Sandu

We combine a systematic approach for deriving general a posteriori error estimates for convex minimization problems based on convex duality relations with a recently derived generalized Marini formula. The a posteriori error estimates are…

Numerical Analysis · Mathematics 2022-04-25 Sören Bartels , Alex Kaltenbach

For adaptive mixed finite element methods (AMFEM), we first introduce the data oscillation to analyze, without the restriction that the inverse of the coefficient matrix of the partial differential equations (PDEs) is a piecewise polynomial…

Numerical Analysis · Mathematics 2011-01-07 Shaohong Du , Xiaoping Xie

We propose a novel a-posteriori error estimation technique where the target quantities of interest are ratios of high-dimensional integrals, as occur e.g. in PDE constrained Bayesian inversion and PDE constrained optimal control subject to…

Numerical Analysis · Mathematics 2023-07-07 Marcello Longo , Christoph Schwab , Andreas Stein

The (T) and [T] perturbative corrections are derived for multicomponent coupled-cluster theory with single and double excitations (CCSD). Benchmarking shows that multicomponent CCSD methods that include the perturbative corrections are more…

Chemical Physics · Physics 2022-07-01 Dylan Fowler , Kurt R. Brorsen

In this paper we develop methods for selection of templates and use these templates to recluster an already performed Dempster-Shafer clustering taking into account intelligence to template fit during the reclustering phase. By this process…

Artificial Intelligence · Computer Science 2007-05-23 Johan Schubert

In recent years, large-scale Bayesian learning draws a great deal of attention. However, in big-data era, the amount of data we face is growing much faster than our ability to deal with it. Fortunately, it is observed that large-scale…

Machine Learning · Computer Science 2022-02-15 Qianqian Song

This paper addresses the local recovery of conservative fluxes and the a posteriori error analysis for an elliptic interface problem with discontinuous coefficients. The transmission conditions on the interface are imposed by means of…

Numerical Analysis · Mathematics 2026-04-03 Daniela capatina , Aimene Gouasmi

We consider elliptic problems with complicated, discontinuous diffusion tensor $A_{\scriptscriptstyle 0} $. One of the standard approaches to numerically treat such problems is to simplify the coefficient by some approximation, say…

Numerical Analysis · Mathematics 2017-04-07 M. Weymuth , S. Sauter , S. Repin

In our work, we consider the classical density-based approach to topology optimization. We propose the modification of the discretized cost/objective functional using a posteriori error estimator for the finite element method. It can be…

Numerical Analysis · Mathematics 2018-02-28 Vladislav Pimanov , Ivan Oseledets