Otimização multi-objetivo em aprendizado de máquina

Orientador: Fernando José Von ZubenTese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Elétrica e de ComputaçãoResumo: Regressão logística multinomial regularizada, classificação multi-rótulo e aprendizado multi-tarefa são exemplos de problemas de aprendizado de máquina em que objetivos conflitantes, como funções de perda e penalidades que promovem regularização, devem ser simultaneamente minimizadas. Portanto, a perspectiva simplista de procurar o modelo de aprendizado com o melhor desempenho deve ser substituída pela proposição e subsequente exploração de múltiplos modelos de aprendizado eficientes, cada um caracterizado por um compromisso (trade-off) distinto entre os objetivos conflitantes. Comitês de máquinas e preferências a posteriori do tomador de decisão podem ser implementadas visando explorar adequadamente este conjunto diverso de modelos de aprendizado eficientes, em busca de melhoria de desempenho. A estrutura conceitual multi-objetivo para aprendizado de máquina é suportada por três etapas: (1) Modelagem multi-objetivo de cada problema de aprendizado, destacando explicitamente os objetivos conflitantes envolvidos; (2) Dada a formulação multi-objetivo do problema de aprendizado, por exemplo, considerando funções de perda e termos de penalização como objetivos conflitantes, soluções eficientes e bem distribuídas ao longo da fronteira de Pareto são obtidas por um solver determinístico e exato denominado NISE (do inglês Non-Inferior Set Estimation); (3) Esses modelos de aprendizado eficientes são então submetidos a um processo de seleção de modelos que opera com preferências a posteriori, ou a filtragem e agregação para a síntese de ensembles. Como o NISE é restrito a problemas de dois objetivos, uma extensão do NISE capaz de lidar com mais de dois objetivos, denominada MONISE (do inglês Many-Objective NISE), também é proposta aqui, sendo uma contribuição adicional que expande a aplicabilidade da estrutura conceitual proposta. Para atestar adequadamente o mérito da nossa abordagem multi-objetivo, foram realizadas investigações mais específicas, restritas à aprendizagem de modelos lineares regularizados: (1) Qual é o mérito relativo da seleção a posteriori de um único modelo de aprendizado, entre os produzidos pela nossa proposta, quando comparado com outras abordagens de modelo único na literatura? (2) O nível de diversidade dos modelos de aprendizado produzidos pela nossa proposta é superior àquele alcançado por abordagens alternativas dedicadas à geração de múltiplos modelos de aprendizado? (3) E quanto à qualidade de predição da filtragem e agregação dos modelos de aprendizado produzidos pela nossa proposta quando aplicados a: (i) classificação multi-classe, (ii) classificação desbalanceada, (iii) classificação multi-rótulo, (iv) aprendizado multi-tarefa, (v) aprendizado com multiplos conjuntos de atributos? A natureza determinística de NISE e MONISE, sua capacidade de lidar adequadamente com a forma da fronteira de Pareto em cada problema de aprendizado, e a garantia de sempre obter modelos de aprendizado eficientes são aqui pleiteados como responsáveis pelos resultados promissores alcançados em todas essas três frentes de investigação específicasAbstract: Regularized multinomial logistic regression, multi-label classification, and multi-task learning are examples of machine learning problems in which conflicting objectives, such as losses and regularization penalties, should be simultaneously minimized. Therefore, the narrow perspective of looking for the learning model with the best performance should be replaced by the proposition and further exploration of multiple efficient learning models, each one characterized by a distinct trade-off among the conflicting objectives. Committee machines and a posteriori preferences of the decision-maker may be implemented to properly explore this diverse set of efficient learning models toward performance improvement. The whole multi-objective framework for machine learning is supported by three stages: (1) The multi-objective modelling of each learning problem, explicitly highlighting the conflicting objectives involved; (2) Given the multi-objective formulation of the learning problem, for instance, considering loss functions and penalty terms as conflicting objective functions, efficient solutions well-distributed along the Pareto front are obtained by a deterministic and exact solver named NISE (Non-Inferior Set Estimation); (3) Those efficient learning models are then subject to a posteriori model selection, or to ensemble filtering and aggregation. Given that NISE is restricted to two objective functions, an extension for many objectives, named MONISE (Many Objective NISE), is also proposed here, being an additional contribution and expanding the applicability of the proposed framework. To properly access the merit of our multi-objective approach, more specific investigations were conducted, restricted to regularized linear learning models: (1) What is the relative merit of the a posteriori selection of a single learning model, among the ones produced by our proposal, when compared with other single-model approaches in the literature? (2) Is the diversity level of the learning models produced by our proposal higher than the diversity level achieved by alternative approaches devoted to generating multiple learning models? (3) What about the prediction quality of ensemble filtering and aggregation of the learning models produced by our proposal on: (i) multi-class classification, (ii) unbalanced classification, (iii) multi-label classification, (iv) multi-task learning, (v) multi-view learning? The deterministic nature of NISE and MONISE, their ability to properly deal with the shape of the Pareto front in each learning problem, and the guarantee of always obtaining efficient learning models are advocated here as being responsible for the promising results achieved in all those three specific investigationsDoutoradoEngenharia de ComputaçãoDoutor em Engenharia Elétrica2014/13533-0FAPES

Enhancing the predictive performance of ensemble models through novel multi-objective strategies: evidence from credit risk and business model innovation survey data

This paper proposes novel multi-objective optimization strategies to develop a weighted ensemble model. The comparison of the performance of the proposed strategies against simulated data suggests that the multi-objective strategy based on joint entropy is superior to other proposed strategies. For the application, generalization, and practical implications of the proposed approaches, we implemented the model on two real datasets related to the prediction of credit risk default and the adoption of the innovative business model by firms. The scope of this paper can be extended in ordering the solutions of the proposed multi- objective strategies and can be generalized for other similar predictive task

An efficiency curve for evaluating imbalanced classifiers considering intrinsic data characteristics: Experimental analysis

Balancing the accuracy rates of the majority and minority classes is challenging in imbalanced classification. Furthermore, data characteristics have a significant impact on the performance of imbalanced classifiers, which are generally neglected by existing evaluation methods. The objective of this study is to introduce a new criterion to comprehensively evaluate imbalanced classifiers. Specifically, we introduce an efficiency curve that is established using data envelopment analysis without explicit inputs (DEA-WEI), to determine the trade-off between the benefits of improved minority class accuracy and the cost of reduced majority class accuracy. In sequence, we analyze the impact of the imbalanced ratio and typical imbalanced data characteristics on the efficiency of the classifiers. Empirical analyses using 68 imbalanced data reveal that traditional classifiers such as C4.5 and the k-nearest neighbor are more effective on disjunct data, whereas ensemble and undersampling techniques are more effective for overlapping and noisy data. The efficiency of cost-sensitive classifiers decreases dramatically when the imbalanced ratio increases. Finally, we investigate the reasons for the different efficiencies of classifiers on imbalanced data and recommend steps to select appropriate classifiers for imbalanced data based on data characteristics.National Natural Science Foundation of China (NSFC) 71874023 71725001 71771037 7197104

Pareto optimal-based feature selection framework for biomarker identification

Numerous computational techniques have been applied to identify the vital features of gene expression datasets in aiming to increase the efficiency of biomedical applications. The classification of microarray data samples is an important task to correctly recognise diseases by identifying small but clinically meaningful genes. However, identification of disease representative genes or biomarkers in high dimensional microarray gene-expression datasets remains a challenging task. This thesis investigates the viability of Pareto optimisation in identifying relevant subsets of biomarkers in high-dimensional microarray datasets. A robust Pareto Optimal based feature selection framework for biomarker discovery is then proposed. First, a two-stage feature selection approach using ensemble filter methods and Pareto Optimality is proposed. The integration of the multi-objective approach employing Pareto Optimality starts with well-known filter methods applied to various microarray gene-expression datasets. Although filter methods provide ranked lists of features, they do not give information about optimum subsets of features, which are namely genes in this study. To address this limitation, the Pareto Optimality is incorporated along with filter methods. The robustness of the proposed framework is successfully demonstrated on several well-known microarray gene expression datasets and it is shown to achieve comparable or up to 100% predictive accuracy with comparatively fewer features. Better performance results are obtained in comparison with other approaches, which are single-objective approaches. Furthermore, cross-validation and k-fold approaches are integrated into the framework, which can enhance the over-fitting problem and the gene selection process is subsequently more accurate under various conditions. Then the proposed framework is developed in several phases. The Sequential Forward Selection method (SFS) is first used to represent wrapper techniques, and the developed Pareto Optimality based framework is applied multiple times and tested on different data types. Given the nature of most real-life data, imbalanced classes are examined using the proposed framework. The classifier achieves high performance at a similar level of different cases using the proposed Pareto Optimal based feature selection framework, which has a novel structure for imbalanced classes. Comparable or better gene subset sizes are obtained using the proposed framework. Finally, handling missing data within the proposed framework is investigated and it is demonstrated that different data imputation methods can also help in the effective integration of various feature selection methods

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

SMOTE for Learning from Imbalanced Data: Progress and Challenges, Marking the 15-year Anniversary

The Synthetic Minority Oversampling Technique (SMOTE) preprocessing algorithm is considered \de facto" standard in the framework of learning from imbalanced data. This is due to its simplicity in the design of the procedure, as well as its robustness when applied to di erent type of problems. Since its publication in 2002, SMOTE has proven successful in a variety of applications from several di erent domains. SMOTE has also inspired several approaches to counter the issue of class imbalance, and has also signi cantly contributed to new supervised learning paradigms, including multilabel classi cation, incremental learning, semi-supervised learning, multi-instance learning, among others. It is standard benchmark for learning from imbalanced data. It is also featured in a number of di erent software packages | from open source to commercial. In this paper, marking the fteen year anniversary of SMOTE, we re ect on the SMOTE journey, discuss the current state of a airs with SMOTE, its applications, and also identify the next set of challenges to extend SMOTE for Big Data problems.This work have been partially supported by the Spanish Ministry of Science and Technology under projects TIN2014-57251-P, TIN2015-68454-R and TIN2017-89517-P; the Project 887 BigDaP-TOOLS - Ayudas Fundaci on BBVA a Equipos de Investigaci on Cient ca 2016; and the National Science Foundation (NSF) Grant IIS-1447795

Revisiting Data Complexity Metrics Based on Morphology for Overlap and Imbalance: Snapshot, New Overlap Number of Balls Metrics and Singular Problems Prospect

Data Science and Machine Learning have become fundamental assets for companies and research institutions alike. As one of its fields, supervised classification allows for class prediction of new samples, learning from given training data. However, some properties can cause datasets to be problematic to classify. In order to evaluate a dataset a priori, data complexity metrics have been used extensively. They provide information regarding different intrinsic characteristics of the data, which serve to evaluate classifier compatibility and a course of action that improves performance. However, most complexity metrics focus on just one characteristic of the data, which can be insufficient to properly evaluate the dataset towards the classifiers' performance. In fact, class overlap, a very detrimental feature for the classification process (especially when imbalance among class labels is also present) is hard to assess. This research work focuses on revisiting complexity metrics based on data morphology. In accordance to their nature, the premise is that they provide both good estimates for class overlap, and great correlations with the classification performance. For that purpose, a novel family of metrics have been developed. Being based on ball coverage by classes, they are named after Overlap Number of Balls. Finally, some prospects for the adaptation of the former family of metrics to singular (more complex) problems are discussed.Comment: 23 pages, 9 figures, preprin