A review of the present status, recent enhancements, and applicability of the SIESTA program is presented. Since its debut in the mid-nineties, SIESTA's flexibility, efficiency and free distribution has given advanced materials simulation capabilities to many groups worldwide. The core methodological scheme of SIESTA combines finite-support pseudoatomic orbitals as basis sets, norm-conserving pseudopotentials, and a real-space grid for the representation of charge density and potentials and the computation of their associated matrix elements. Here we describe the more recent implementations on top of that core scheme, which include: full spin-orbit interaction, non-repeated and multiple-contact ballistic electron transport, DFT+U and hybrid functionals, time-dependent DFT, novel reduced-scaling solvers, densityfunctional perturbation theory, efficient Van der Waals non-local density functionals, and enhanced molecular-dynamics options. In addition, a substantial effort has been made in enhancing interoperability and interfacing with other codes and utilities, such as WANNIER90 and the second-principles modelling it can be used for, an AiiDA plugin for workflow automatization, interface to Lua for steering SIESTA runs, and various postprocessing utilities. SIESTA has also been a) Electronic mail:
Traditional mean-variance financial portfolio optimization is based on two sets of parameters, estimates for the asset returns and the variance-covariance matrix. The allocations resulting from both traditional methods and heuristics are very dependent on these values. Given the unreliability of these forecasts, the expected risk and return for the portfolios in the efficient frontier often differ from the expected ones. In this work we present a resampling method based on time-stamping to control the problem. The approach, which is compatible with different evolutionary multiobjective algorithms, is tested with four different alternatives. We also introduce new metrics to assess the reliability of forecast efficient frontiers.
Abstract. The subject of financial portfolio optimization under real-world constraints is a difficult problem that can be tackled using multiobjective evolutionary algorithms. One of the most problematic issues is the dependence of the results on the estimates for a set of parameters, that is, the robustness of solutions. These estimates are often inaccurate and this may result on solutions that, in theory, offered an appropriate risk/return balance and, in practice, resulted being very poor. In this paper we suggest that using a resampling mechanism may filter out the most unstable. We test this idea on real data using SPEA2 as optimization algorithm and the results show that the use of resampling increases significantly the reliability of the resulting portfolios.
En este artículo se evalúan algunos factores que pudiesen alterar el pH del agua del río Chimbo ubicado en la provincia de Bolívar en Ecuador. La metodología a usar es la de Regresión lineal multiple haciéndo énfasis en el coeficiente de determinación R2 ajustado bajo el criterio de normalidad de datos. Se exponen y contrastan resultados para los distintos modelos estadísticos obtenidos bajo un software libre “R” y se discute la información de estos para el estudio de la calidad del agua en base a su pH. Finalmente, se establece que las variables que más influyen al pH son la alcalinidad, sulfato y cloruro presentes en el agua y se muestran algunas predicciones del pH del agua en base al mejor modelo obtenido.
Abstract. This work presents the application of a parallel cooperative optimization approach to the broadcast operation in mobile ad-hoc networks (manets). The optimization of the broadcast operation implies satisfying several objectives simultaneously, so a multi-objective approach has been designed. The optimization lies on searching the best configurations of the dfcn broadcast protocol for a given manet scenario. The cooperation of a team of multi-objective evolutionary algorithms has been performed with a novel optimization model. Such model is a hybrid parallel algorithm that combines a parallel islandbased scheme with a hyperheuristic approach. Results achieved by the algorithms in different stages of the search process are analyzed in order to grant more computational resources to the most suitable algorithms. The obtained results for a manets scenario, representing a mall, demonstrate the validity of the new proposed approach.
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