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The purpose of this article is to propose ODE based approaches for the numerical evaluation of matrix functions $f(A)$, a question of major interest in the numerical linear algebra. To this end, we model $f(A)$ as the solution at a finite…
The need to evaluate Logarithmic integrals is ubiquitous in essentially all quantitative areas including mathematical sciences, physical sciences. Some recent developments in Physics namely Feynman diagrams deals with the evaluation of…
We describe a family of iterative algorithms that involve the repeated execution of discrete and inverse discrete Fourier transforms. One interesting member of this family is motivated by the discrete Fourier transform uncertainty principle…
Accurate computational predictions of metal-organic frameworks (MOFs) and their properties is crucial for discovering optimal compositions and applying them in relevant technological areas. This work benchmarks density functional theory…
We demonstrate a phenomenon of condensation of the Fourier transform $\widehat{f}$ of a function $f$ defined on the real line $\mathbb{R}$ which decreases rapidly on one half of the line. For instance, we prove that if $f$ is…
Over the last decade, there has been significant improvement in the understanding and modeling of the decay of fission fragments by both prompt and delayed emission. These model improvements open the door for performing consistent…
We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…
We introduce a very natural generalization of the well-known problem of simultaneous congruences. Instead of searching for a positive integer $s$ that is specified by $n$ fixed remainders modulo integer divisors $a_1,\dots,a_n$ we consider…
Although many programs have been published for fully numerical Hartree--Fock (HF) or density functional (DF) calculations on atoms, we are not aware of any that support hybrid DFs, which are popular within the quantum chemistry community…
This work is focussed on the inversion task of inferring the distribution over parameters of interest leading to multiple sets of observations. The potential to solve such distributional inversion problems is driven by increasing…
Decompilers are useful tools used in reverse engineering to understand compiled source code. Reconstructing source code from compiled binaries is a challenging task, because high-level syntax, identifiers, and custom data types are…
The Sinc quadrature and the Sinc indefinite integration are approximation formulas for definite integration and indefinite integration, respectively, which can be applied on any interval by using an appropriate variable transformation.…
Estimation of response functions is an important task in dynamic medical imaging. This task arises for example in dynamic renal scintigraphy, where impulse response or retention functions are estimated, or in functional magnetic resonance…
We extend the idea of automated debiased machine learning to the dynamic treatment regime and more generally to nested functionals. We show that the multiply robust formula for the dynamic treatment regime with discrete treatments can be…
Communication compression is essential for scalable distributed training of modern machine learning models, but it often degrades convergence due to the noise it introduces. Error Feedback (EF) mechanisms are widely adopted to mitigate this…
In a large class of statistical inverse problems it is necessary to suppose that the transformation that is inverted is known. Although, in many applications, it is unrealistic to make this assumption, the problem is often insoluble without…
In this work, neutral stochastic functional differential equations with infinite delay (NSFDEwID) has been studied. The existence and uniqueness of solutions to NSFDEwID at the state space $ C_{r} $ under the local weak monotone condition,…
We present numerical methods based on the fast Fourier transform (FFT) to solve convolution integral equations on a semi-infinite interval (Wiener-Hopf equation) or on a finite interval (Fredholm equation). We extend and improve a FFT-based…
Integrable $\lambda$-deformed $\sigma$-models are characterized by an underlying current algebra/coset model CFT deformed, at the infinitesimal level, by current/parafermion bilinears. We promote the deformation parameters to dynamical…
The convergence of a family of AMF-Runge-Kutta methods (in short AMF-RK) for the time integration of evolutionary Partial Differential Equations (PDEs) of Advection Diffusion Reaction type semi-discretized in space is considered. The…