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CRANFIELD UNIVERSITY Eleni Anthippi Chatzimichali ...

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3.3.2 Nonlinear Models<br />

In order to test the performance and the applicability of the new heuristic for<br />

real-world cases, a simulation based on the methodology presented thus far was<br />

conducted using the HPLC dataset. The simulation aims towards the comparison<br />

between the grid-search and the Box complex algorithm for the optimisation of<br />

ensembles of nonlinear SVMs (RBF) via bootstrapping. In order for all results to be<br />

directly comparable, the exact same train, test and validation datasets were used for<br />

both algorithms. The algorithms are assessed based on their average train and test<br />

accuracies as well as the execution times.<br />

In Section 2.2.4 a combination of a coarse grid-search followed by a finer grid-search<br />

was proposed as a means of optimising the RBF hyperparameters . The<br />

percentages of correctly classified samples ( ) of these models were presented in<br />

Figure 2-6. In addition, a new ensemble of SVM classifiers was optimised and tested<br />

using an exhaustive grid-based search with a refined resolution of , which<br />

allowed greater grid granularity. The Box complex algorithm was also employed for<br />

the minimisation of the average bootstrapping test error during the training process of<br />

the SVMs. In this case, the inequality constraints correspond to the minimum and<br />

maximum predefined value boundaries that were set for the RBF hyperparameters<br />

( ) in Section 2.2.4, where { } and { }. The<br />

formation of the initial complex begins with the selection of a random feasible point<br />

that must satisfy the minimum and maximum hyperparameter constraints as presented<br />

in Figure 3-5.<br />

A classification model has been selected at random out of the ensemble of classifiers<br />

(100 independent classifiers) for demonstrative purposes as a means of visually<br />

assessing the optimisation outcome of the two techniques. Figure 3-5 illustrates stepby-step<br />

the Box complex simplices towards finding the optimal combination of<br />

hyperparameters. In addition, the high-resolution grid plot that constitutes the<br />

background of each figure, derives from the grid-search optimisation with a resolution<br />

equal to ; each grid point corresponds to an average training error of 100<br />

independent bootstrap iterations for a predefined combination of hyperparameters.<br />

68

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