Related papers: Modification of coupled integral equations method …
Many applications require that we learn the parameters of a model from data. EM is a method used to learn the parameters of probabilistic models for which the data for some of the variables in the models is either missing or hidden. There…
Integro-differential-algebraic equations (IDAE)s are widely used in applications of engineering and analysis. When there are hidden constraints in an IDAE, structural analysis is necessary. But if derivatives of dependent variables appear…
ADAPT-VQE stands out as a robust algorithm for constructing compact ans\"atze for molecular simulation. It enables to significantly reduce the circuit depth with respect to other methods, such as UCCSD, while achieving higher accuracy and…
In this paper a novel method to solve the constant coefficient wave equation, subject to interface jump conditions, is presented. In general, such problems pose issues for standard finite difference solvers, as the inherent discontinuity in…
In this paper, we develop the constrained energy minimizing generalized multiscale finite element method (CEM-GMsFEM) with mixed boundary conditions (Dirichlet and Neumann) for the elasticity equations in high contrast media. By a special…
We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…
The prediction of a dielectric breakdown in a high-voltage device is based on criteria that evaluate the electric field along field lines. Therefore it is necessary to efficiently compute the electric field at arbitrary points in space. A…
The cluster-in-molecule (CIM) local correlation approach with an accurate distant pair correlation energy correction is presented. For large systems, the inclusion of distant pair correlation energies is essential for the accurate…
The particle-in-cell (PIC) method has been widely used for plasma simulation, because of its noise-reduction capability and moderate computational cost. The immersed finite element (IFE) method is efficient for solving interface problems on…
We have developed a set of techniques for performing large scale ab initio calculations using multigrid accelerations and a real-space grid as a basis. The multigrid methods permit efficient calculations on ill-conditioned systems with long…
Generalized additive index models (GAIMs) offer a flexible semiparametric framework for capturing complex data relationships, balancing the interpretability of parametric models with the flexibility of nonparametric approaches. However,…
A novel locally statistical active contour model (ACM) for image segmentation in the presence of intensity inhomogeneity is presented in this paper. The inhomogeneous objects are modeled as Gaussian distributions of different means and…
The accurate and efficient evaluation of potentials is of great importance for the numerical solution of partial differential equations. When the integration domain of the potential is irregular and is discretized by an unstructured mesh,…
The calculation of potential energy surfaces for quantum dynamics can be a time consuming task -- especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm…
When building a cylindrical algebraic decomposition (CAD) savings can be made in the presence of an equational constraint (EC): an equation logically implied by a formula. The present paper is concerned with how to use multiple ECs,…
Trimming techniques are efficient ways to generate complex geometries in Computer-Aided Design(CAD). In this paper, an improved isogeometric analysis(IGA) method for trimmed geometries is proposed. We will show that the proposed method…
The construction of modified equations is an important step in the backward error analysis of symplectic integrator for Hamiltonian systems. In the context of partial differential equations, the standard construction leads to modified…
In this paper, we propose a physical layer security scheme that exploits a novel index modulation (IM) technique for coordinate interleaved orthogonal designs (CIOD). Utilizing the diversity gain of CIOD transmission, the proposed scheme,…
A computational fluid model is developed to study waves and instabilities. A new technique involving initial perturbations in configuration space have been implemented to excite the plasma waves; i.e. the perturbations acting similar to a…
Electric circuits are usually described by charge- and flux-oriented modified nodal analysis. In this paper, we derive models as port-Hamiltonian systems on several levels: overall systems, multiply coupled systems and systems within…