Fast Fourier Transform Simulation Techniques for Coulomb Gases

An improved approach to updating the electric field in simulations of Coulomb gases using the local lattice technique introduced by Maggs and Rossetto, is described and tested. Using the Fast Fourier Transform (FFT) an independent configuration of electric fields subject to Gauss' law constraint can be generated in a single update step. This FFT based method is shown to outperform previous approaches to updating the electric field in the simulation of a basic test problem in electrostatics of strongly correlated systems.Comment: 5 pages, 3 figure

Rapid evaluation of radial basis functions

Over the past decade, the radial basis function method has been shown to produce high quality solutions to the multivariate scattered data interpolation problem. However, this method has been associated with very high computational cost, as compared to alternative methods such as finite element or multivariate spline interpolation. For example. the direct evaluation at M locations of a radial basis function interpolant with N centres requires O(M N) floating-point operations. In this paper we introduce a fast evaluation method based on the Fast Gauss Transform and suitable quadrature rules. This method has been applied to the Hardy multiquadric, the inverse multiquadric and the thin-plate spline to reduce the computational complexity of the interpolant evaluation to O(M + N) floating point operations. By using certain localisation properties of conditionally negative definite functions this method has several performance advantages against traditional hierarchical rapid summation methods which we discuss in detail

Fast Computation of Sums of Gaussians in High Dimensions

Evaluating sums of multivariate Gaussian kernels is a key computational task in many problems in computational statistics and machine learning. The computational cost of the direct evaluation of such sums scales as the product of the number of kernel functions and the evaluation points. The fast Gauss transform proposed by Greengard and Strain (1991) is a $\epsilon$-exact approximation algorithm that reduces the computational complexity of the evaluation of the sum of $N$ Gaussians at $M$ points in $d$ dimensions from $\mathcal{O}(MN)$ to $\mathcal{O}(M+N)$. However, the constant factor in $\mathcal{O}(M+N)$ grows exponentially with increasing dimensionality $d$, which makes the algorithm impractical for dimensions greater than three. In this paper we present a new algorithm where the constant factor is reduced to asymptotically polynomial order. The reduction is based on a new multivariate Taylor's series expansion (which can act both as a local as well as a far field expansion) scheme combined with the efficient space subdivision using the $k$-center algorithm. The proposed method differs from the original fast Gauss transform in terms of a different factorization, efficient space subdivision, and the use of point-wise error bounds. Algorithm details, error bounds, procedure to choose the parameters and numerical experiments are presented. As an example we shows how the proposed method can be used for very fast $\epsilon$-exact multivariate kernel density estimation