Espectroscopia no infravermelho próximo e métodos de calibração multivariada aplicados à determinação simultânea de parâmetros bioquímicos em plasma sanguíneo

In this work, the quantitative analysis of glucose, triglycerides and cholesterol (total and HDL) in both rat and human blood plasma was performed without any kind of pretreatment of samples, by using near infrared spectroscopy (NIR) combined with multivariate methods. For this purpose, different techniques and algorithms used to pre-process data, to select variables and to build multivariate regression models were compared between each other, such as partial least squares regression (PLS), non linear regression by artificial neural networks, interval partial least squares regression (iPLS), genetic algorithm (GA), successive projections algorithm (SPA), amongst others. Related to the determinations of rat blood plasma samples, the variables selection algorithms showed satisfactory results both for the correlation coefficients (R²) and for the values of root mean square error of prediction (RMSEP) for the three analytes, especially for triglycerides and cholesterol-HDL. The RMSEP values for glucose, triglycerides and cholesterol-HDL obtained through the best PLS model were 6.08, 16.07 e 2.03 mg dL-1, respectively. In the other case, for the determinations in human blood plasma, the predictions obtained by the PLS models provided unsatisfactory results with non linear tendency and presence of bias. Then, the ANN regression was applied as an alternative to PLS, considering its ability of modeling data from non linear systems. The root mean square error of monitoring (RMSEM) for glucose, triglycerides and total cholesterol, for the best ANN models, were 13.20, 10.31 e 12.35 mg dL-1, respectively. Statistical tests (F and t) suggest that NIR spectroscopy combined with multivariate regression methods (PLS and ANN) are capable to quantify the analytes (glucose, triglycerides and cholesterol) even when they are present in highly complex biological fluids, such as blood plasma

Determinação de parâmetros (sólidos solúveis, pH e acidez titulável) em ameixas intactas usando espectroscopia no infravermelho próximo e seleção de comprimento de onda

The aim of this study was to evaluate the potential of near-infrared reflectance spectroscopy (NIRS) as a rapid and non-destructive method to determine the soluble solid content (SSC), pH and titratable acidity of intact plums. Samples of plum with a total solids content ranging from 5.7 to 15%, pH from 2.72 to 3.84 and titratable acidity from 0.88 a 3.6% were collected from supermarkets in Natal-Brazil, and NIR spectra were acquired in the 714 2500 nm range. A comparison of several multivariate calibration techniques with respect to several pre-processing data and variable selection algorithms, such as interval Partial Least Squares (iPLS), genetic algorithm (GA), successive projections algorithm (SPA) and ordered predictors selection (OPS), was performed. Validation models for SSC, pH and titratable acidity had a coefficient of correlation (R) of 0.95 0.90 and 0.80, as well as a root mean square error of prediction (RMSEP) of 0.45ºBrix, 0.07 and 0.40%, respectively. From these results, it can be concluded that NIR spectroscopy can be used as a non-destructive alternative for measuring the SSC, pH and titratable acidity in plums

Um estudo algorítmico para otimização do plano de tratamento da radioterapia conformal

This work performs an algorithmic study of optimization of a conformal radiotherapy plan treatment. Initially we show: an overview about cancer, radiotherapy and the physics of interaction of ionizing radiation with matery. A proposal for optimization of a plan of treatment in radiotherapy is developed in a systematic way. We show the paradigm of multicriteria problem, the concept of Pareto optimum and Pareto dominance. A generic optimization model for radioterapic treatment is proposed. We construct the input of the model, estimate the dose given by the radiation using the dose matrix, and show the objective function for the model. The complexity of optimization models in radiotherapy treatment is typically NP which justifyis the use of heuristic methods. We propose three distinct methods: MOGA, MOSA e MOTS. The project of these three metaheuristic procedures is shown. For each procedures follows: a brief motivation, the algorithm itself and the method for tuning its parameters. The three method are applied to a concrete case and we confront their performances. Finally it is analyzed for each method: the quality of the Pareto sets, some solutions and the respective Pareto curves

Dilema da diversidade-acurácia: um estudo empírico no contexto de multiclassificadores

Multi-classifier systems, also known as ensembles, have been widely used to solve several problems, because they, often, present better performance than the individual classifiers that form these systems. But, in order to do so, it s necessary that the base classifiers to be as accurate as diverse among themselves this is also known as diversity/accuracy dilemma. Given its importance, some works have investigate the ensembles behavior in context of this dilemma. However, the majority of them address homogenous ensemble, i.e., ensembles composed only of the same type of classifiers. Thus, motivated by this limitation, this thesis, using genetic algorithms, performs a detailed study on the dilemma diversity/accuracy for heterogeneous ensembles

Algorítmo evolucionário para a distribuição de produtos de petróleo por redes de polidutos

The distribution of petroleum products through pipeline networks is an important problem that arises in production planning of refineries. It consists in determining what will be done in each production stage given a time horizon, concerning the distribution of products from source nodes to demand nodes, passing through intermediate nodes. Constraints concerning storage limits, delivering time, sources availability, limits on sending or receiving, among others, have to be satisfied. This problem can be viewed as a biobjective problem that aims at minimizing the time needed to for transporting the set of packages through the network and the successive transmission of different products in the same pipe is called fragmentation. This work are developed three algorithms that are applied to this problem: the first algorithm is discrete and is based on Particle Swarm Optimization (PSO), with local search procedures and path-relinking proposed as velocity operators, the second and the third algorithms deal of two versions based on the Non-dominated Sorting Genetic Algorithm II (NSGA-II). The proposed algorithms are compared to other approaches for the same problem, in terms of the solution quality and computational time spent, so that the efficiency of the developed methods can be evaluated

Seleção de atributos em comitês de classificadores utilizando algoritmos genéticos

Classifier ensembles are systems composed of a set of individual classifiers and a combination module, which is responsible for providing the final output of the system. In the design of these systems, diversity is considered as one of the main aspects to be taken into account since there is no gain in combining identical classification methods. The ideal situation is a set of individual classifiers with uncorrelated errors. In other words, the individual classifiers should be diverse among themselves. One way of increasing diversity is to provide different datasets (patterns and/or attributes) for the individual classifiers. The diversity is increased because the individual classifiers will perform the same task (classification of the same input patterns) but they will be built using different subsets of patterns and/or attributes. The majority of the papers using feature selection for ensembles address the homogenous structures of ensemble, i.e., ensembles composed only of the same type of classifiers. In this investigation, two approaches of genetic algorithms (single and multi-objective) will be used to guide the distribution of the features among the classifiers in the context of homogenous and heterogeneous ensembles. The experiments will be divided into two phases that use a filter approach of feature selection guided by genetic algorithm

Algoritomos transgenéticos aplicados ao problema da árvore geradora biobjetivo

The Multiobjective Spanning Tree is a NP-hard Combinatorial Optimization problem whose application arises in several areas, especially networks design. In this work, we propose a solution to the biobjective version of the problem through a Transgenetic Algorithm named ATIS-NP. The Computational Transgenetic is a metaheuristic technique from Evolutionary Computation whose inspiration relies in the conception of cooperation (and not competition) as the factor of main influence to evolution. The algorithm outlined is the evolution of a work that has already yielded two other transgenetic algorithms. In this sense, the algorithms previously developed are also presented. This research also comprises an experimental analysis with the aim of obtaining information related to the performance of ATIS-NP when compared to other approaches. Thus, ATIS-NP is compared to the algorithms previously implemented and to other transgenetic already presented for the problem under consideration. The computational experiments also address the comparison to two recent approaches from literature that present good results, a GRASP and a genetic algorithms. The efficiency of the method described is evaluated with basis in metrics of solution quality and computational time spent. Considering the problem is within the context of Multiobjective Optimization, quality indicators are adopted to infer the criteria of solution quality. Statistical tests evaluate the significance of results obtained from computational experiments