Ensemble of heterogeneous flexible neural trees using multiobjective genetic programming

Machine learning algorithms are inherently multiobjective in nature, where approximation error minimization and model's complexity simplification are two conflicting objectives. We proposed a multiobjective genetic programming (MOGP) for creating a heterogeneous flexible neural tree (HFNT), tree-like flexible feedforward neural network model. The functional heterogeneity in neural tree nodes was introduced to capture a better insight of data during learning because each input in a dataset possess different features. MOGP guided an initial HFNT population towards Pareto-optimal solutions, where the final population was used for making an ensemble system. A diversity index measure along with approximation error and complexity was introduced to maintain diversity among the candidates in the population. Hence, the ensemble was created by using accurate, structurally simple, and diverse candidates from MOGP final population. Differential evolution algorithm was applied to fine-tune the underlying parameters of the selected candidates. A comprehensive test over classification, regression, and time-series datasets proved the efficiency of the proposed algorithm over other available prediction methods. Moreover, the heterogeneous creation of HFNT proved to be efficient in making ensemble system from the final population

Metaheuristic design of feedforward neural networks: a review of two decades of research

Over the past two decades, the feedforward neural network (FNN) optimization has been a key interest among the researchers and practitioners of multiple disciplines. The FNN optimization is often viewed from the various perspectives: the optimization of weights, network architecture, activation nodes, learning parameters, learning environment, etc. Researchers adopted such different viewpoints mainly to improve the FNN's generalization ability. The gradient-descent algorithm such as backpropagation has been widely applied to optimize the FNNs. Its success is evident from the FNN's application to numerous real-world problems. However, due to the limitations of the gradient-based optimization methods, the metaheuristic algorithms including the evolutionary algorithms, swarm intelligence, etc., are still being widely explored by the researchers aiming to obtain generalized FNN for a given problem. This article attempts to summarize a broad spectrum of FNN optimization methodologies including conventional and metaheuristic approaches. This article also tries to connect various research directions emerged out of the FNN optimization practices, such as evolving neural network (NN), cooperative coevolution NN, complex-valued NN, deep learning, extreme learning machine, quantum NN, etc. Additionally, it provides interesting research challenges for future research to cope-up with the present information processing era

The diversity-accuracy duality in ensembles of classifiersd

Horizontal scaling of Machine Learning algorithms has the potential to tackle concerns over the scalability and sustainability of Deep Learning methods, viz. their consumption of energy and computational resources, as well their increasing inaccessibility to researchers. One way to enact horizontal scaling is by employing ensemble learning methods, since they enable distribution. There is a consensus on the point that diversity between individual learners leads to better performance, which is why we have focused on it as the criterion for distributing the base models of an ensemble. However, there is no standard agreement on how diversity should be defined and thus how to exploit it to construct a high-performing classifier. Therefore, we have proposed different definitions of diversity and innovative algorithms which promote it in a systematic way. We have first considered architectural diversity with an algorithm called WILDA: Wide Learning of Diverse Architectures. In a distributed fashion, this algorithm evolves a set of neural networks that are pretrained on the target task and diverse w.r.t. architectural feature descriptors. We have then generalised this notion by defining behavioural diversity on the basis of the divergence between the errors made by different models on a dataset. We have defined several diversity metrics and used them to guide a novelty search algorithm which builds an ensemble of behaviourally diverse classifiers. The algorithm promotes diversity in ensembles by explicitly searching for it, without selecting for accuracy. We have then extended this approach with a surrogate diversity model, which reduces the computational burden of this search by eliminating the need to train each network in the population with stochastic gradient descent at each step. These methods have enabled us to investigate the role that both architectural and behavioural diversity play in contributing to the performance of an ensemble. In order to study the relationship between diversity and accuracy in classifier ensembles, we have then proposed several methods that extend the novelty search with accuracy objectives. Surprisingly, we have observed that, with the highest-performing diversity metrics, there is an equivalence between searching for diversity objectives and searching for accuracy objectives. This contradicts widespread assumptions that a trade-off must be found by balancing diversity and accuracy objectives. We therefore posit the existence of a diversity-accuracy duality in ensembles of classifiers. An implication of this is the possibility of evolving diverse ensembles without detriment to their accuracy, since it is implicitly ensured.Open Acces

Evolutionary Computation and QSAR Research

[Abstract] The successful high throughput screening of molecule libraries for a specific biological property is one of the main improvements in drug discovery. The virtual molecular filtering and screening relies greatly on quantitative structure-activity relationship (QSAR) analysis, a mathematical model that correlates the activity of a molecule with molecular descriptors. QSAR models have the potential to reduce the costly failure of drug candidates in advanced (clinical) stages by filtering combinatorial libraries, eliminating candidates with a predicted toxic effect and poor pharmacokinetic profiles, and reducing the number of experiments. To obtain a predictive and reliable QSAR model, scientists use methods from various fields such as molecular modeling, pattern recognition, machine learning or artificial intelligence. QSAR modeling relies on three main steps: molecular structure codification into molecular descriptors, selection of relevant variables in the context of the analyzed activity, and search of the optimal mathematical model that correlates the molecular descriptors with a specific activity. Since a variety of techniques from statistics and artificial intelligence can aid variable selection and model building steps, this review focuses on the evolutionary computation methods supporting these tasks. Thus, this review explains the basic of the genetic algorithms and genetic programming as evolutionary computation approaches, the selection methods for high-dimensional data in QSAR, the methods to build QSAR models, the current evolutionary feature selection methods and applications in QSAR and the future trend on the joint or multi-task feature selection methods.Instituto de Salud Carlos III, PIO52048Instituto de Salud Carlos III, RD07/0067/0005Ministerio de Industria, Comercio y Turismo; TSI-020110-2009-53)Galicia. Consellería de Economía e Industria; 10SIN105004P

Advances in Evolutionary Algorithms

With the recent trends towards massive data sets and significant computational power, combined with evolutionary algorithmic advances evolutionary computation is becoming much more relevant to practice. Aim of the book is to present recent improvements, innovative ideas and concepts in a part of a huge EA field

Machine learning for network based intrusion detection: an investigation into discrepancies in findings with the KDD cup '99 data set and multi-objective evolution of neural network classifier ensembles from imbalanced data.

For the last decade it has become commonplace to evaluate machine learning techniques for network based intrusion detection on the KDD Cup '99 data set. This data set has served well to demonstrate that machine learning can be useful in intrusion detection. However, it has undergone some criticism in the literature, and it is out of date. Therefore, some researchers question the validity of the findings reported based on this data set. Furthermore, as identified in this thesis, there are also discrepancies in the findings reported in the literature. In some cases the results are contradictory. Consequently, it is difficult to analyse the current body of research to determine the value in the findings. This thesis reports on an empirical investigation to determine the underlying causes of the discrepancies. Several methodological factors, such as choice of data subset, validation method and data preprocessing, are identified and are found to affect the results significantly. These findings have also enabled a better interpretation of the current body of research. Furthermore, the criticisms in the literature are addressed and future use of the data set is discussed, which is important since researchers continue to use it due to a lack of better publicly available alternatives. Due to the nature of the intrusion detection domain, there is an extreme imbalance among the classes in the KDD Cup '99 data set, which poses a significant challenge to machine learning. In other domains, researchers have demonstrated that well known techniques such as Artificial Neural Networks (ANNs) and Decision Trees (DTs) often fail to learn the minor class(es) due to class imbalance. However, this has not been recognized as an issue in intrusion detection previously. This thesis reports on an empirical investigation that demonstrates that it is the class imbalance that causes the poor detection of some classes of intrusion reported in the literature. An alternative approach to training ANNs is proposed in this thesis, using Genetic Algorithms (GAs) to evolve the weights of the ANNs, referred to as an Evolutionary Neural Network (ENN). When employing evaluation functions that calculate the fitness proportionally to the instances of each class, thereby avoiding a bias towards the major class(es) in the data set, significantly improved true positive rates are obtained whilst maintaining a low false positive rate. These findings demonstrate that the issues of learning from imbalanced data are not due to limitations of the ANNs; rather the training algorithm. Moreover, the ENN is capable of detecting a class of intrusion that has been reported in the literature to be undetectable by ANNs. One limitation of the ENN is a lack of control of the classification trade-off the ANNs obtain. This is identified as a general issue with current approaches to creating classifiers. Striving to create a single best classifier that obtains the highest accuracy may give an unfruitful classification trade-off, which is demonstrated clearly in this thesis. Therefore, an extension of the ENN is proposed, using a Multi-Objective GA (MOGA), which treats the classification rate on each class as a separate objective. This approach produces a Pareto front of non-dominated solutions that exhibit different classification trade-offs, from which the user can select one with the desired properties. The multi-objective approach is also utilised to evolve classifier ensembles, which yields an improved Pareto front of solutions. Furthermore, the selection of classifier members for the ensembles is investigated, demonstrating how this affects the performance of the resultant ensembles. This is a key to explaining why some classifier combinations fail to give fruitful solutions