相关论文: Interpolative Separable Density Fitting through Ce…

In this paper we present a novel particle method for the Vlasov--Poisson equation. Unlike in conventional particle methods, the particles are not interpreted as point charges, but as point values of the distribution function. In between the…

A high order finite difference method is proposed for unstructured meshes to simulate compressible inviscid/viscous flows with/without discontinuities. In this method, based on the strong form equation, the divergence of the flux on each…

Applications in materials and biological imaging are limited by the ability to collect high-resolution data over large areas in practical amounts of time. One solution to this problem is to collect low-resolution data and interpolate to…

We present a new open source code for massive parallel computation of Voronoi tessellations(VT hereafter) in large data sets. The code is focused for astrophysical purposes where VT densities and neighbors are widely used. There are several…

In this work, we approach the problem of resource allocation in a team of agents through the framework of Centroidal Voronoi Tessellations. CVTs provide a natural way to embed a desired global trend in the team through probability…

The paper presents a strategy to construct an incremental Singular Value Decomposition (SVD) for time-evolving, spatially 3D discrete data sets. A low memory access procedure for reducing and deploying the snapshot data is presented.…

A multilevel kernel-based interpolation method, suitable for moderately high-dimensional function interpolation problems, is proposed. The method, termed multilevel sparse kernel-based interpolation (MLSKI, for short), uses both level-wise…

In this paper we demonstrate the performance of several density-based methods in predicting the inversion of S$_1$ and T$_1$ states of a few N-heterocyclic fused ring molecules (popularly known as INVEST molecules) with an eye to identify a…

Orbital-free density functional theory as an extension of traditional Thomas-Fermi theory has attracted a lot of interest in the past decade because of developments in both more accurate kinetic energy functionals and highly efficient…

As a generalization of the two-dimensional Fourier transform (2D FT) and 2D fractional Fourier transform, the 2D nonseparable linear canonical transform (2D NsLCT) is useful in optics, signal and image processing. To reduce the digital…

We present an efficient computational approach to perform real-space electronic structure calculations using an adaptive higher-order finite-element discretization of Kohn-Sham density-functional theory (DFT). To this end, we develop an…

This paper presents a general high-order kernel regularization technique applicable to all four integral operators of Calder\'on calculus associated with linear elliptic PDEs in two and three spatial dimensions. Like previous density…

The five-dimensional quadrupole collective model based on energy density functionals (EDF) has often been employed to treat long-range correlations associated with shape fluctuations in nuclei. Our goal is to derive the collective inertial…

We propose a Fast Fourier Transform based Periodic Interpolation Method (FFT-PIM), a flexible and computationally efficient approach for computing the scalar potential given by a superposition sum in a unit cell of an infinitely periodic…

Swarm robotics, or very large-scale robotics (VLSR), has many meaningful applications for complicated tasks. However, the complexity of motion control and energy costs stack up quickly as the number of robots increases. In addressing this…

Computationally hard problems, including combinatorial optimization, can be mapped into the problem of finding the ground-state of an Ising Hamiltonian. Building physical systems with collective computational ability and distributed…

Coarse grid projection (CGP) is a multiresolution technique for accelerating numerical calculations associated with a set of nonlinear evolutionary equations along with the stiff Poisson equations. In this article we use CGP for the first…

We propose a method to interpolate Signed Distance Function (SDF) data from a discrete set of samples. Unlike prior work, our approach ensures that the new SDF data values are fully consistent with the input and each other, such that the…

Electronic structure calculation of atoms and molecules, in the past few decades has largely been dominated by density functional methods. This is primarily due to the fact that this can account for electron correlation effects in a…

We present a novel approach for inspecting variable data prints (VDP) with an ultra-low false alarm rate (0.005%) and potential applicability to other real-world problems. The system is based on a comparison between two images: a reference…