Search results for "Entropy method"
showing 8 items of 8 documents
Maximum entropy method : an unconventional approach to explore observables related to the electron density in phengites
2009
The maximum entropy method (MEM) is used here to get an insight into the electron density [rho(r)] of phengites 2M (1) and 3T, paying special attention to the M1-formally empty site and charge distribution. Room temperature single crystal X-ray diffraction data have been used as experimental input for MEM. The results obtained by MEM have been compared with those from conventional structure refinement which, in turn, has provided the prior-electron density to start the entropy maximization process. MEM reveals a comparatively non-committal approach, able to produce information related to the M1-site fractional occupancy, and yields results consistent with those from the difference Fourier s…
About the reliability of the Maximum Entropy Method in reconstructing electron density: the case of MgO
2006
Abstract The reliability of the Maximum Entropy Method (MEM) to reconstruct finite temperature electron density (ED) is here discussed, investigating the case of periclase (MgO). A theoretical electron density has been generated by quantum mechanic calculations and folded with a function simulating atomic thermal motion, in order to produce a reference errorless ED [ρ(r)REF]. The Fourier coefficients of ρ(r)REF have been calculated, and used as “observed” diffraction intensities to reconstruct via MEM the original ED. The electron density attained by MEM [ρ(r)MEM] and ρ(r)REF have been compared with each other (pixel-by-pixel and critical points) to assess the ability of MEM to retrieve EDs…
EDA: EXAFS data-analysis software package
2021
The EXAFS data-analysis software package EDA consists of a suite of programs running under a Windows operating system environment that is designed to perform all steps of conventional EXAFS data analysis such as extraction of the XANES/EXAFS parts of the X-ray absorption coefficient, Fourier filtering and EXAFS fitting using the Gaussian and cumulant models. The package also includes two advanced approaches which allow the reconstruction of the radial distribution function (RDF) from EXAFS based on the regularization-like method and the calculation of configuration-averaged EXAFS using a set of atomic configurations obtained from molecular-dynamics or Monte Carlo simulations.---- / / / ----…
Load match optimisation of a residential building case study: A cross-entropy based electricity storage sizing algorithm
2015
Abstract The EU EPBD recast regulation marked the application of the net zero energy building (Net ZEB) concept in all fields of building construction in Europe as a building able to generate as much energy as it consumes over a selected time frame. A more detailed insight is however needed, as even if a building achieves a long-term energy balance between energy generated and consumed, smaller time scales must also be considered. For example, from the utility’s point of view, if a Net ZEB is a heavy consumer in the winter, it will appear to be quite similar to a conventional building, requiring the use of additional generation. The increase in the generation-load match means reducing the s…
Hybridizing the cross-entropy method: An application to the max-cut problem
2009
Cross-entropy has been recently proposed as a heuristic method for solving combinatorial optimization problems. We briefly review this methodology and then suggest a hybrid version with the goal of improving its performance. In the context of the well-known max-cut problem, we compare an implementation of the original cross-entropy method with our proposed version. The suggested changes are not particular to the max-cut problem and could be considered for future applications to other combinatorial optimization problems.
La sopravvivenza immediata delle start-up italiane del settore manifatturiero sanitario: un'analisi multilevel
2017
The immediate survival of the Italian start-up businesses in healthcare industry: a multilevel analysis Objectives: The purpose of this contribution is to provide novel evidence about the main determinants of the short-run survival of pharmaceutical and medical device manufacturing start-up firms in Italy. In order to assess both the firm-specific determinants and the observed and unobserved regional and contextual characteristics, we model the three-year firm survival probability by means of a multilevel logistic framework. Methods and Results: The empirical analysis focuses on an internationally comparable database of the population of firms built up and managed by the Italian National In…
Prediction of river discharges at confluences based on Entropy theory and surface-velocity measurements
2022
Hydrodynamic features of the confluence zone of large rivers are complicated because of their three-dimensional flow structure. The confluence between the Rio Negro and the Rio Solimões, characterised by black and white waters, respectively, ranks among the largest river junctions on Earth. An Entropy-based investigation was carried out to assess the discharge and analyse the 2D structure of velocity distribution for large river flows relying on monitoring of near-surface velocity only. The estimated flow data where compared with in-situ ADCP data gathered across some transects of the Negro and Solimões rivers during both low and relatively high flow conditions. Results are illustrated thro…
Information dynamics: Temporal behavior of uncertainty measures
2008
We carry out a systematic study of uncertainty measures that are generic to dynamical processes of varied origins, provided they induce suitable continuous probability distributions. The major technical tool are the information theory methods and inequalities satisfied by Fisher and Shannon information measures. We focus on a compatibility of these inequalities with the prescribed (deterministic, random or quantum) temporal behavior of pertinent probability densities.