Related papers: Extrapolation for meson screening masses from imag…
In this paper, we describe a numerical approach to evaluate Feynman loop integrals. In this approach the key technique is a combination of a numerical integration method and a numerical extrapolation method. Since the computation is carried…
The finite-lattice method of series expansions has been combined with a new extrapolation procedure to extend the low-temperature series for the specific heat, spontaneous magnetisation and susceptibility of the spin-1 Ising model on the…
The gradual insertion method for direct calculation of the chemical potential by molecular simulation is applied in the NpT ensemble to different quadrupolar two-centre Lennard-Jones fluids at high density state points. The results agree…
Several strategies have been developed recently to ensure valid inference after model selection; some of these are easy to compute, while others fare better in terms of inferential power. In this paper, we consider a selective inference…
A new method, based on the simulated annealing algorithm and aimed at the inverse problem in the analysis of intergalactic (interstellar) complex spectra of hydrogen and metal lines, is presented. We consider the process of line formation…
We propose an enhanced approach to the extrapolation of mean potential forces acting on atoms of solute macromolecules due to their interactions with solvent atoms in complex biochemical liquids. It improves and extends previous…
The inverse problem for a disordered system involves determining the interparticle interaction parameters consistent with a given set of experimental data. Recently, Rutledge has shown (Phys. Rev. E63, 021111 (2001)) that such problems can…
In this paper we discuss $\l$-policy iteration, a method for exact and approximate dynamic programming. It is intermediate between the classical value iteration (VI) and policy iteration (PI) methods, and it is closely related to optimistic…
The Mean Spherical Approximation (MSA) is a commonly-used thermodynamic theory for computing the energetics of ions in the primitive model (i.e., charged hard-sphere ions in a background dielectric). For the excess chemical potential,…
The fermion sign problem constitutes a fundamental computational bottleneck across a plethora of research fields in physics, quantum chemistry and related disciplines. Recently, it has been suggested to alleviate the sign problem in…
This paper discusses new simulation algorithms for stochastic chemical kinetics that exploit the linearity of the chemical master equation and its matrix exponential exact solution. These algorithms make use of various approximations of the…
From ultracold atoms to quantum chromodynamics, reliable ab initio studies of strongly interacting fermions require numerical methods, typically in some form of quantum Monte Carlo calculation. Unfortunately, (non)relativistic systems at…
A discussion of the overlap problem of reweighting approaches to evaluating critical phenomenon in fermionic systems is motivated by highlighting the divergence of the joint probability density function of a general ratio. By identifying…
Estimating a Gibbs density function given a sample is an important problem in computational statistics and statistical learning. Although the well established maximum likelihood method is commonly used, it requires the computation of the…
The central approximation made in classical molecular dynamics simulation of materials is the interatomic potential used to calculate the forces on the atoms. Great effort and ingenuity is required to construct viable functional forms and…
We calculate the screening masses of pseudoscalar mesons in a hot and strongly magnetized medium within the framework of the SU(3) Nambu-Jona--Lasinio model, using a magnetic field-independent regularization scheme. Inverse magnetic…
For the purpose of minimizing the number of sample model evaluations, we propose and study algorithms that utilize (sequential) versions of likelihood-to-evidence ratio neural estimation.We apply our algorithms to a supersymmetric…
The interpolation-regression approximation is a powerful tool in numerical analysis for reconstructing functions defined on square or triangular domains from their evaluations at a regular set of nodes. The importance of this technique lies…
In some fields such as Mathematics Mechanization, automated reasoning and Trustworthy Computing etc., exact results are needed. Symbolic computations are used to obtain the exact results. Symbolic computations are of high complexity. In…
We present a novel method to significantly speed up cosmological parameter sampling. The method relies on constructing an interpolation of the CMB-log-likelihood based on sparse grids, which is used as a shortcut for the…