Abstract:
This paper focuses on automated procedures to reduce the dimensionality of protein structure prediction datasets by simplifying the way in which the primary sequence of a protein is represented. The potential benefits of this procedure are faster and easier learning process as well as the generation of more compact and human-readable classifiers. The dimensionality reduction procedure we propose consists on the reduction of the 20-letter amino acid (AA) alphabet, which is normally used to specify a protein sequence, into a lower cardinality alphabet. This reduction comes about by a clustering of AA types accordingly to their physical and chemical similarity. Our automated reduction procedure is guided by a fitness function based on the Mutual Information between the AA-based input attributes of the dataset and the protein structure feature that being predicted.

To search for the optimal reduction, the Extended Compact Genetic Algorithm (ECGA) was used, and afterwards the results of this process were fed into (and validated by) BioHEL, a genetics-based machine learning technique. BioHEL used the reduced alphabet to induce rules for protein structure prediction features. BioHEL results are compared to two standard machine learning systems. Our results show that it is possible to reduce the size of the alphabet used for prediction from twenty to just three letters resulting in more compact, i.e. interpretable, rules. Also, a protein-wise accuracy performance measure suggests that the loss of accuracy accrued by this substantial alphabet reduction is not statistically significant when compared to the full alphabet.

Abstract:
One benefit of using probabilistic model-building genetic algorithms is the possibility of creating cheap and accurate surrogate models. Learning classifier systems—and genetics-based machine learning in general—can greatly benefit from such surrogates which can replace the costly matching procedure of a rule against large data sets. In this paper we investigate the accuracy of such surrogate fitness function when coupled with the probabilistic models evolved by the ?-ary extended compact classifier system (?eCCS). We present results showing how functional alignment between the probabilistic model of ?eCCS and the surrogate fitness is required. We also present a transformation of populations of rules based on the dependency structure matrix genetic algorithm (DSMGA) that allows building accurate models of overlapping building blocks—a necessary condition to accurately estimate the fitness of the evolved rules.

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Abstract:
This paper presents a learning methodology based on a substructural classification model to solve decomposable classification problems. The proposed method consists of three important components: (1) a structural model that represents salient interactions between attributes for a given data, (2) a surrogate model which provides a functional approximation of the output as a function of attributes, and (3) a classification model which predicts the class for new inputs. The structural model is used to infer the functional form of the surrogate and its coefficients are estimated using linear regression methods. The classification model uses a maximally-accurate, least-complex surrogate to predict the output for given inputs. The structural model that yields an optimal classification model is searched using an iterative greedy search heuristic. Results show that the proposed method successfully detects key variable interactions in hierarchical problems, group them in linkages groups, and build maximally accurate classification models. The initial results on non-trivial hierarchical test problems indicate that the proposed method holds promise and have also shed light on several improvements to enhance the capabilities of the proposed method.

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Abstract:
In this paper, we derive models of the selection pressure in XCS for proportionate (roulette wheel) selection and tournament selection. We show that these models can explain the empirical results that have been previously presented in the literature. We validate the models on simple problems showing that, (i) when the model assumptions hold, the theory perfectly matches the empirical evidence; (ii) when the model assumptions do not hold, the theory can still provide qualitative explanations of the experimental results.