Related papers: A straightforward a posteriori method for reductio…
Discrete mixture models are routinely used for density estimation and clustering. While conducting inferences on the cluster-specific parameters, current frequentist and Bayesian methods often encounter problems when clusters are placed too…
The reduced basis method is a model reduction technique yielding substantial savings of computational time when a solution to a parametrized equation has to be computed for many values of the parameter. Certification of the approximation is…
In this paper, we present and analyze a posteriori error estimates in the energy norm of a quadratic finite element method for the frictionless unilateral contact problem. The reliability and the efficiency of a posteriori error estimator…
We derive a posteriori error estimators for an optimal control problem governed by a convection-reaction-diffusion equation; control constraints are also considered. We consider a family of low-order stabilized finite element methods to…
The present work proposes an approach to obtain a basis-set correction based on density-functional theory (DFT) for the computation of molecular properties in wave-function theory (WFT). This approach allows one to accelerate the basis-set…
Recovery type a posteriori error estimators are popular, particularly in the engineering community, for their computationally inexpensive, easy to implement, and generally asymptotically exactness. Unlike the residual type error estimators,…
We propose an a posteriori error estimator for high-order $p$- or $hp$-finite element discretizations of selfadjoint linear elliptic eigenvalue problems that is appropriate for estimating the error in the approximation of an eigenvalue…
In this paper we present an algorithm for adaptive sparse grid approximations of quantities of interest computed from discretized partial differential equations. We use adjoint-based a posteriori error estimates of the physical…
This work studies a posteriori error estimates and their use for time-dependent acoustic scattering problems, formulated as a time-dependent boundary integral equation based on a single-layer ansatz. The integral equation is discretized by…
We develop all of the components needed to construct an adaptive finite element code that can be used to approximate fractional partial differential equations, on non-trivial domains in $d\geq 1$ dimensions. Our main approach consists of…
Pair atomic density fitting (PADF) is a promising strategy to reduce the scaling with system size of quantum chemical methods for the calculation of the correlation energy like the direct random phase approximation (RPA) or second-order…
A posteriori error estimates are constructed for the three-field variational formulation of the Biot problem involving the displacements, the total pressure and the fluid pressure. The discretization under focus is the…
An integro-differential equation of hyperbolic type, with mixed boundary conditions, is considered. A continuous space-time finite element method of degree one is formulated. A posteriori error representations based on space-time cells is…
We consider the a posteriori error estimation for an atomistic-to-continuum cou- pling scheme for a generic one-dimensional many-body next-nearest-neighbour interaction model in 1D. We derive and rigorously prove the efficiency of the…
For data assumed to come from a finite mixture with an unknown number of components, it has become common to use Dirichlet process mixtures (DPMs) not only for density estimation, but also for inferences about the number of components. The…
In our work, we consider the classical density-based approach to the topology optimization. We propose to modify the discretized cost functional using a posteriori error estimator for the finite element method. It can be regarded as a new…
We consider energy norm a posteriori error analysis of conforming finite element approximations of singularly perturbed reaction-diffusion problems on simplicial meshes in arbitrary space dimension. Using an equilibrated flux…
Separating the Coulomb potential into short-range and long-range components enables the use of different electron repulsion integral algorithms for each component. The short-range part can be efficiently computed using the analytical…
We provide a posteriori error estimates in the energy norm for temporal semi-discretisations of wave maps into spheres that are based on the angular momentum formulation. Our analysis is based on novel weak-strong stability estimates which…
We recently developed a scheme to use low-cost calculations to find a single twist angle where the couple cluster doubles energy of a single calculation matches the twist-averaged coupled cluster doubles energy in a finite unit cell. We…