Related papers: On the estimation of the evolutionary power spectr…
We describe a density-functional method which aims at computing the ground state electron density and the spectral function at the same time. One basic ingredient of our method is the construction of the spectral function from the first…
We derive simplified formulas for analyzing the stability of stochastic parametrically forced linear systems. This extends the results in [T. Blass and L.A. Romero, SIAM J. Control Optim. 51(2):1099--1127, 2013] where, assuming the…
A new tool for the Evolutionary Synthesis of Stellar Populations (EPS) is presented, which is based on three independent matrices, giving respectively: 1) the fuel consumption during each evolutionary phase as a function of stellar mass; 2)…
We develop the uniform sparse Fast Fourier Transform (usFFT), an efficient, non-intrusive, adaptive algorithm for the solution of elliptic partial differential equations with random coefficients. The algorithm is an adaption of the sparse…
This paper studies the performance of time-dependent density-functional theory (TDDFT) for calculating the dielectric function of semiconductors and insulators at finite momentum transfer, comparing against the standard Bethe-Salpeter…
In evolutionary dynamics, a key measure of a mutant trait's success is the probability that it takes over the population given some initial mutant-appearance distribution. This "fixation probability" is difficult to compute in general, as…
Some recent methods, like the Empirical Mode Decomposition (EMD), propose to decompose a signal accordingly to its contained information. Even though its adaptability seems useful for many applications, the main issue with this approach is…
For a twice continuously differentiable function $S$, we define the density function of its gradient (derivative in one dimension) $s = S^{\prime}$ as a random variable transformation of a uniformly distributed random variable using $s$ as…
We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…
Various ways to analyze the dynamical response of clusters and molecules to electromagnetic perturbations exist. Particularly rich information can be obtained from measuring the properties of electrons emitted in the course of the…
If the dynamics of an evolutionary differential equation system possess a low-dimensional, attracting, slow manifold, there are many advantages to using this manifold to perform computations for long term dynamics, locating features such as…
This article proposes an efficient Bayesian inference for piecewise exponential hazard (PEH) models, which allow the effect of a covariate on the survival time to vary over time. The proposed inference methodology is based on a particle…
We consider functional differential equations(FDEs) which are perturbations of smooth ordinary differential equations(ODEs). The FDE can involve multiple state-dependent delays or distributed delays (forward or backward). We show that,…
At the present time reliably established that probability density functions of gene expression of microarray experiments possess a number of universal properties. First of all these distributions have power asymptotic and secondly the shape…
In this paper, we will present an analysis on the fault erasure BP decoders based on the density evolution. In the fault BP decoder, messages exchanged in a BP process are stochastically corrupted due to unreliable logic gates and…
Stellarator boundary optimization faces a fundamental numerical challenge: the extreme disparity between low- and high-mode amplitudes creates an optimization landscape in which direct full-spectrum approaches typically converge to poor…
Recently, we proposed short-time Fourier transform (STFT)-based loss functions for training a neural speech waveform model. In this paper, we generalize the above framework and propose a training scheme for such models based on spectral…
We perform an extrapolative analysis of "fast-growth" free-energy-difference (DF) estimates of a computer-modeled, fully-solvated ethane<->methanol transformation. The results suggest that extrapolation can greatly reduce the systematic…
The determination of the elements of the S-matrix within the framework of time-dependent density-functional theory (TDDFT) has remained a widely open question. We explore two different methods to calculate state-to-state transition…
A method for numerical approximation of a new class of fractional parabolic stochastic evolution equations is introduced and analysed. This class of equations has recently been proposed as a space-time extension of the SPDE-method in…