相关论文: Fast periodic Gaussian density fitting by range se…

We introduce highly local basis sets for electronic structure which are very efficient for correlation calculations near the complete basis set limit. Our approach is based on gausslets, recently introduced wavelet-like smooth orthogonal…

The 3D Gaussian Splatting technique has significantly advanced the construction of radiance fields from multi-view images, enabling real-time rendering. While point-based rasterization effectively reduces computational demands for…

3D Gaussian Splatting (3DGS) has recently advanced radiance field reconstruction by offering superior capabilities for novel view synthesis and real-time rendering speed. However, its strategy of blending optimization and adaptive density…

We introduce a fast algorithm for Gaussian process regression in low dimensions, applicable to a widely-used family of non-stationary kernels. The non-stationarity of these kernels is induced by arbitrary spatially-varying vertical and…

Embodied intelligence requires precise reconstruction and rendering to simulate large-scale real-world data. Although 3D Gaussian Splatting (3DGS) has recently demonstrated high-quality results with real-time performance, it still faces…

We recently introduced an efficient methodology to perform density-corrected Hartree-Fock density functional theory (DC(HF)-DFT) calculations and an extension to it we called "corrected" HF DFT (C(HF)-DFT). In this work, we take a further…

We describe and test numerically an adaptive meshless generalized finite difference method based on radial basis functions that competes well with the finite element method on standard benchmark problems with reentrant corners of the…

A challenge in modeling time-dependent strong-field processes such as high-harmonic generation for many-body systems, is how to effectively represent the electronic continuum. We apply Rothe's method to the time-dependent Hartree-Fock…

We introduce a novel two-step approach for estimating a probability density function (pdf) given its samples, with the second and important step coming from a geometric formulation. The procedure involves obtaining an initial estimate of…

Model Hamiltonians with long-range interaction yield energies that are corrected taking into account the universal behavior of the electron-electron interaction at short range. Although the intention of the paper is to explore the…

With the help of our recently developed massively parallel DGDFT (Discontinuous Galerkin Density Functional Theory) methodology, we perform large-scale Kohn-Sham density functional theory calculations on phosphorene nanoribbons with…

The evaluation of exact (Hartree--Fock, HF) exchange operator is a crucial ingredient for the accurate description of electronic structure in periodic systems through ab initio and hybrid density functional approaches. An efficient…

The paper introduces a new meshfree pseudospectral method based on Gaussian radial basis functions (RBFs) collocation to solve fractional Poisson equations. Hypergeometric functions are used to represent the fractional Laplacian of Gaussian…

Current tools for multivariate density estimation struggle when the density is concentrated near a nonlinear subspace or manifold. Most approaches require choice of a kernel, with the multivariate Gaussian by far the most commonly used.…

This chapter concerns with the recent development of a new DFT methodology for accurate, reliable prediction of many-electron systems. Background, need for such a scheme, major difficulties encountered, as well as their potential remedies…

The dispersion measure (DM) of fast radio bursts (FRBs) provides a unique way to probe ionised baryons in the intergalactic medium (IGM). Cosmological models with different parameters lead to different DM-redshift ($\mathrm{DM}-z$)…

We propose a novel method for measuring the discrepancy between a set of samples and a desired posterior distribution for Bayesian inference. Classical methods for assessing sample quality like the effective sample size are not appropriate…

The Jeffreys divergence is a renown symmetrization of the oriented Kullback-Leibler divergence broadly used in information sciences. Since the Jeffreys divergence between Gaussian mixture models is not available in closed-form, various…

This study introduces a novel self-supervised learning approach for volumetric segmentation of defect indications captured by phased array ultrasonic testing data from Carbon Fiber Reinforced Polymers (CFRPs). By employing this…

We present a spectrally accurate, efficient FFT-based method for the three-dimensional free-space Poisson equation with smooth, compactly supported sources. The method adopts a super-potential formulation: we first compute the convolution…