Related papers: FFTPL: An Analytic Placement Algorithm Using Fast …
We propose an efficient simulation algorithm based on the dissipative particle dynamics (DPD) method for studying electrohydrodynamic phenomena in electrolyte fluids. The fluid flow is mimicked with DPD particles while the evolution of the…
In this paper a sublinear time algorithm is presented for the reconstruction of functions that can be represented by just few out of a potentially large candidate set of Fourier basis functions in high spatial dimensions, a so-called…
Size, weight, and power constrained platforms impose constraints on computational resources that introduce unique challenges in implementing localization algorithms. We present a framework to perform fast localization on such platforms…
The Fast Fourier Transform (FFT) is one of the most widely used algorithms in high performance computing, with critical applications in spectral analysis for both signal processing and the numerical solution of partial differential…
Total energy electronic structure calculations, based on density functional theory or on the more empirical tight binding approach, are generally believed to scale as the cube of the number of electrons. By using the localisaton property of…
A Fixed-Parameter Tractable (\FPT) $\rho$-approximation algorithm for a minimization (resp. maximization) parameterized problem $P$ is an FPT algorithm that, given an instance $(x, k)\in P$ computes a solution of cost at most $k \cdot…
The Fourier-Galerkin method (in short FFTH) has gained popularity in numerical homogenisation because it can treat problems with a huge number of degrees of freedom. Because the method incorporates the fast Fourier transform (FFT) in the…
We have developed efficient numerical algorithms for solving 3D steady-state Poisson-Nernst-Planck (PNP) equations with excess chemical potentials described by the classical density functional theory (cDFT). The coupled PNP equations are…
This paper shows that it is possible to improve the computational cost, the memory requirements and the accuracy of Quick Fourier Transform (QFT) algorithm for power-of-two FFT (Fast Fourier Transform) just introducing a slight modification…
Many problems in beam physics and plasma physics require the solution of Poisson's equation with free-space boundary conditions. The algorithm proposed by Hockney and Eastwood is a popular scheme to solve this problem numerically, used by…
We consider the classic Facility Location problem on planar graphs (non-uniform, uncapacitated). Given an edge-weighted planar graph $G$, a set of clients $C\subseteq V(G)$, a set of facilities $F\subseteq V(G)$, and opening costs…
A Fourier-based Library of Unbounded Poisson Solvers (FLUPS) for 2D and 3D homogeneous distributed grids is presented. It is designed to handle every possible combination of periodic, symmetric, semi-unbounded and fully unbounded boundary…
We propose an implementation of the algorithm for the fast Fourier transform (FFT) as a quantum circuit consisting of a combination of some quantum gates. In our implementation, a data sequence is expressed by a tensor product of vector…
Novel implementations based on dense tensor storage are presented for the singlet-reference perfect quadruples (PQ) [Parkhill, Lawler, and Head-Gordon, J. Chem. Phys. 130, 084101 (2009)] and perfect hextuples (PH) [Parkhill and Head-Gordon,…
This work is concerned with solving high-dimensional Fokker-Planck equations with the novel perspective that solving the PDE can be reduced to independent instances of density estimation tasks based on the trajectories sampled from its…
We present an efficient algorithm for the all-electron periodic Coulomb matrix based on the Ewald summation combined with the Fourier-transformed Coulomb method. The short-range contributions involving compact densities are evaluated in…
The alignment of large language models (LLMs) with human preferences remains a key challenge. While post-training techniques like Reinforcement Learning from Human Feedback (RLHF) and Direct Preference Optimization (DPO) have achieved…
In recent work it is shown that importance sampling can be avoided in the particle filter through an innovation structure inspired by traditional nonlinear filtering combined with Mean-Field Game formalisms. The resulting feedback particle…
We present a novel algorithm, FAST-PT, for performing convolution or mode-coupling integrals that appear in nonlinear cosmological perturbation theory. The algorithm uses several properties of gravitational structure formation -- the…
We describe three approaches for computing a gravity signal from a density anomaly. The first approach consists of the classical "summation" technique, whilst the remaining two methods solve the Poisson problem for the gravitational…