相关论文: Interpolative Separable Density Fitting through Ce…

For a wide range of clinical applications, such as adaptive treatment planning or intraoperative image update, feature-based deformable registration (FDR) approaches are widely employed because of their simplicity and low computational…

An extreme-point symmetric mode decomposition (ESMD) method is proposed to improve the Hilbert-Huang Transform (HHT) through the following prospects: (1) The sifting process is implemented by the aid of 1, 2, 3 or more inner interpolating…

In this work, image analysis techniques used in astrophysics to detect low-contrast signals have been adapted in the processing of Computed Tomography (CT) images, combining Centroidal Voronoi Tessellation (CVT) and machine learning…

The collocation method uses the Rhie-Chow scheme to find the cell interface velocity by pressure-weighted interpolation. The accuracy of this interpolation method in unsteady flows has not been fully clarified. This study constructs a…

A Cartesian grid method combined with a simplified gas kinetic scheme is presented for subsonic and supersonic viscous flow simulation on complex geometries. Under the Cartesian mesh, the computational grid points are classified into four…

Reliable computational methodologies and basis sets for modeling x-ray spectra are essential for extracting and interpreting electronic and structural information from experimental x-ray spectra. In particular, the trade-off between…

In reaction path optimization, such as the calculation of a minimum energy path (MEP) between given reactant and product configurations of atoms, it is advantageous to start with an initial guess where close proximity of atoms is avoided…

In this work, a cut high-dimensional model representation (cut-HDMR) expansion based on multiple anchors is constructed via the clustering method. Specifically, a set of random input realizations is drawn from the parameter space and…

We present a cost-reduced approach for the distinguishable cluster approximation to coupled cluster with singles, doubles and iterative triples (DC-CCSDT) based on a tensor decomposition of the triples amplitudes. The triples amplitudes and…

Ultra-fast electronic phenomena originating from finite temperature, such as nonlinear optical excitation, can be simulated with high fidelity via real-time time dependent density functional theory (rt-TDDFT) calculations with hybrid…

Intramolecular symmetry-adapted perturbation theory (ISAPT) is a method to compute and decompose the noncovalent interaction energy between two molecular fragments A and B connected via a linker C. The existing ISAPT algorithm displays…

Simulations of single- and multi-species compressible flows with shock waves and discontinuities are conducted using a weighted compact nonlinear scheme (WCNS) with a newly developed sixth order localized dissipative interpolation. In…

Tensor decomposition has been widely used in machine learning and high-volume data analysis. However, large-scale tensor factorization often consumes huge memory and computing cost. Meanwhile, modernized computing hardware such as tensor…

We present a coarse-grid projection (CGP) method for accelerating incompressible flow computations, which is applicable to methods involving Poisson equations as incompressibility constraints. The CGP methodology is a modular approach that…

Among the diverse platforms of quantum light sources, epitaxially grown semiconductor quantum dots (QDs) are one of the most attractive workhorses for realizing various quantum photonic technologies owing to their outstanding brightness and…

Probabilistic circuits (PCs) enable exact and tractable inference but employ data independent mixture weights that limit their ability to capture local geometry of the data manifold. We propose Voronoi tessellations (VT) as a natural way to…

Two harmonic extraction based Jacobi--Davidson (JD) type algorithms are proposed to compute a partial generalized singular value decomposition (GSVD) of a large regular matrix pair. They are called cross product-free (CPF) and inverse-free…

Visible and infrared image fusion (VIF) aims to combine information from visible and infrared images into a single fused image. Previous VIF methods usually employ a color space transformation to keep the hue and saturation from the…

This paper introduces the hierarchical interpolative factorization for elliptic partial differential equations (HIF-DE) in two (2D) and three dimensions (3D). This factorization takes the form of an approximate generalized LU/LDL…

Accurately incorporating non-local transport into radiation-hydrodynamics codes, and indeed any fluid system, has long been elusive. To date, a simplified and accurate theory that can be easily integrated has not been available. This…