Stationary probability density of stochastic search processes in global optimization

A method for the construction of approximate analytical expressions for the stationary marginal densities of general stochastic search processes is proposed. By the marginal densities, regions of the search space that with high probability contain the global optima can be readily defined. The density estimation procedure involves a controlled number of linear operations, with a computational cost per iteration that grows linearly with problem size

Hierarchical adaptive polynomial chaos expansions

Polynomial chaos expansions (PCE) are widely used in the framework of uncertainty quantification. However, when dealing with high dimensional complex problems, challenging issues need to be faced. For instance, high-order polynomials may be required, which leads to a large polynomial basis whereas usually only a few of the basis functions are in fact significant. Taking into account the sparse structure of the model, advanced techniques such as sparse PCE (SPCE), have been recently proposed to alleviate the computational issue. In this paper, we propose a novel approach to SPCE, which allows one to exploit the model's hierarchical structure. The proposed approach is based on the adaptive enrichment of the polynomial basis using the so-called principle of heredity. As a result, one can reduce the computational burden related to a large pre-defined candidate set while obtaining higher accuracy with the same computational budget

Gravitation Field Algorithm with Optimal Detection for Unconstrained Optimization

This work is supported by the National Natural Science Foundation of China (Grant Nos. 61472159, 61572227), Development Project of Jilin Province of China (Nos. 20160204022GX, 20160414009GH, 2017C033).Postprin

Comparison of chemical clustering methods using graph- and fingerprint-based similarity measures

This paper compares several published methods for clustering chemical structures, using both graph- and fingerprint-based similarity measures. The clusterings from each method were compared to determine the degree of cluster overlap. Each method was also evaluated on how well it grouped structures into clusters possessing a non-trivial substructural commonality. The methods which employ adjustable parameters were tested to determine the stability of each parameter for datasets of varying size and composition. Our experiments suggest that both graph- and fingerprint-based similarity measures can be used effectively for generating chemical clusterings; it is also suggested that the CAST and Yin–Chen methods, suggested recently for the clustering of gene expression patterns, may also prove effective for the clustering of 2D chemical structures

A phenotypic analysis of three population-based metaheuristics

Metaheuristics are used as very good optimization methods and they imitate natural, biologic, social and cultural process. In this work, we evaluate and compare three different metaheuristics which are population-based: Genetic Algorithms, CHC and Scatter Search. They work with a set of solutions in contrast to trajectory-based metaheuristics which use an only solution. From a comparative analysis, we can infer that Genetic Algorithms and CHC algorithms can solve satisfactorily problems with a growing complexity. While Scatter Search provides high quality solutions but its computational effort is very high too.Workshop de Agentes y Sistemas Inteligentes (WASI)Red de Universidades con Carreras en Informática (RedUNCI

Estimation of constant and time-varying dynamic parameters of HIV infection in a nonlinear differential equation model

Modeling viral dynamics in HIV/AIDS studies has resulted in a deep understanding of pathogenesis of HIV infection from which novel antiviral treatment guidance and strategies have been derived. Viral dynamics models based on nonlinear differential equations have been proposed and well developed over the past few decades. However, it is quite challenging to use experimental or clinical data to estimate the unknown parameters (both constant and time-varying parameters) in complex nonlinear differential equation models. Therefore, investigators usually fix some parameter values, from the literature or by experience, to obtain only parameter estimates of interest from clinical or experimental data. However, when such prior information is not available, it is desirable to determine all the parameter estimates from data. In this paper we intend to combine the newly developed approaches, a multi-stage smoothing-based (MSSB) method and the spline-enhanced nonlinear least squares (SNLS) approach, to estimate all HIV viral dynamic parameters in a nonlinear differential equation model. In particular, to the best of our knowledge, this is the first attempt to propose a comparatively thorough procedure, accounting for both efficiency and accuracy, to rigorously estimate all key kinetic parameters in a nonlinear differential equation model of HIV dynamics from clinical data. These parameters include the proliferation rate and death rate of uninfected HIV-targeted cells, the average number of virions produced by an infected cell, and the infection rate which is related to the antiviral treatment effect and is time-varying. To validate the estimation methods, we verified the identifiability of the HIV viral dynamic model and performed simulation studies.Comment: Published in at http://dx.doi.org/10.1214/09-AOAS290 the Annals of Applied Statistics (http://www.imstat.org/aoas/) by the Institute of Mathematical Statistics (http://www.imstat.org