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In this work, we present the \emph{twiddless fast Fourier transform (TFFT)}, a novel algorithm for computing the $N$-point discrete Fourier transform (DFT). The TFFT's divide strategy builds on recent results that decimate an $N$-point…
We present second-order molecular cluster perturbation theory (MCPT(2)), a linear scaling methodology to calculate arbitrarily large systems with explicit calculation of individual wavefunctions in a coupled-cluster framework. This new…
We propose a numerical method to spline-interpolate discrete signals and then apply the integral transforms to the corresponding analytical spline functions. This represents a robust and computationally efficient technique for estimating…
We propose a quadrature-based formula for computing the exponential function of matrices with a non-oscillatory integral on an infinite interval and an oscillatory integral on a finite interval. In the literature, existing quadrature-based…
In this work, we explore a numerical approach for performing the inverse Laplace transformation, with an emphasis on achieving stability and robustness under noisy conditions. Our quadrature-based method integrates reparameterization, data…
We consider a damped oscillator mode that is resonantly driven and is coupled to an arbitrary target system via the position quadrature operator. For such a composite open quantum system, we develop a numerical method to compute the reduced…
We present a numerical method to solve the optimal transport problem with a quadratic cost when the source and target measures are periodic probability densities. This method is based on a numerical resolution of the corresponding…
Diffuse scattering is a rich source of information about disorder in crystalline materials, which can be modelled using atomistic techniques such as Monte Carlo and molecular dynamics simulations. Modern X-ray and neutron scattering…
We consider the problem of resolving overlapping pulses from noisy multi-snapshot measurements, which has been a problem central to various applications including medical imaging and array signal processing. ESPRIT algorithm has been used…
The Wiener-Khinchin theorem for the Fourier-Laplace transformation (WKT-FLT) provides a robust method to calculate numerically single-side Fourier transforms of arbitrary autocorrelation functions from molecular simulations. However, the…
Perturbation theory (PT) calculation of large-scale structure has been used to interpret the observed non-linear statistics of large-scale structure at the quasi-linear regime. In particular, the so-called standard perturbation theory (SPT)…
The dynamics of the nuclear-spin quantum computer with large number (L=1000) of qubits is considered using a perturbation approach, based on approximate diagonalization of exponentially large sparse matrices. Small parameters are introduced…
We propose a new compressive imaging method for reconstructing 2D or 3D objects from their scattered wave-field measurements. Our method relies on a novel, nonlinear measurement model that can account for the multiple scattering phenomenon,…
We use a numerical code for accurate computation of the amplitude of linear density perturbations and gravitational waves generated by single-field inflation models to study the accuracy of existing analytic results based on the slow-roll…
We present a fast algorithm for computing the diffracted field from arbitrary binary (sharp-edged) planar apertures and occulters in the scalar Fresnel approximation, for up to moderately high Fresnel numbers ($\lesssim 10^3$). It uses a…
In this article, we develop comprehensive frequency domain methods for estimating and inferring the second-order structure of spatial point processes. The main element here is on utilizing the discrete Fourier transform (DFT) of the point…
We explore two classes of exponential integrators in this letter to design nonlinear Fourier transform (NFT) algorithms with a desired accuracy-complexity trade-off and a convergence order of $4$ on an equispaced grid. The integrating…
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 propose a simple drop-in noise-tolerant replacement for the standard finite difference procedure used ubiquitously in blackbox optimization. In our approach, parameter perturbation directions are defined by a family of structured…
Many models of high energy physics suggest that the cosmological dark sector consists of not just one, but a spectrum of ultralight scalar particles with logarithmically distributed masses. To study the potential signatures of low…