Modelos de clasificación multi-etiqueta para datos heterogéneos: un enfoque basado en ensembles

In recent years, the multi-label classification task has gained the attention of the scientific community given its ability to solve real-world problems where each instance of the dataset may be associated with several class labels simultaneously. For example, in medical problems each patient may be affected by several diseases at the same time, and in multimedia categorization problems, each item might be related with different tags or topics. Thus, given the nature of these problems, dealing with them as traditional classification problems where just one class label is assigned to each instance, would lead to a lose of information. However, the fact of having more than one label associated with each instance leads to new classification challenges that should be addressed, such as modeling the compound dependencias among labels, the imbalance of the label space, and the high dimensionality of the output space. A large number of methods for multi-label classification has been proposed in the literature, including several ensemble-based methods. Ensemble learning is a technique which is based on combining the outputs of many diverse base models, in order to outperform each of the separate members. In multi-label classification, ensemble methods are those that combine the predictions of several multi-label classifiers, and these methods have shown to outperform simpler multi-label classifiers. Therefore, given its great performance, we focused our research on the study of ensemble-based methods for multi-label classification. The first objective of this dissertation is to perform an thorough review of the state-of-the-art ensembles of multi-label classifiers. Its aim is twofold: I) study different ensembles of multi-label classifiers proposed in the literature, and categorize them according to their characteristics proposing a novel taxonomy; and II) perform an experimental study to find the method or family of methods that performs better depending on the characteristics of the data, as well as provide then some guidelines to select the best method according to the characteristics of a given problem. Since most of the ensemble methods for multi-label classification are based on creating diverse members by randomly selecting instances, input features, or labels, our second and main objective is to propose novel ensemble methods for multi-label classification where the characteristics of the data are taken into account. For this purpose, we first propose an evolutionary algorithm able to build an ensemble of multi-label classifiers, where each of the individuals of the population is an entire ensemble. This approach is able to model the relationships among the labels with a relative low complexity and imbalance of the output space, also considering these characteristics to guide the learning process. Furthermore, it looks for an optimal structure of the ensemble not only considering its predictive performance, but also the number of times that each label appears in it. In this way, all labels are expected to appear a similar number of times in the ensemble, not neglecting any of them regardless of their frequency. Then, we develop a second evolutionary algorithm able to build ensembles of multi-label classifiers, but in this case each individual of the population is a hypothetical member of the ensemble, and not the entire ensemble. The fact of evolving members of the ensemble separately makes the algorithm less computationally complex and able to determine the quality of each member separately. However, a method to select the ensemble members needs to be defined. This process selects those classifiers that are both accurate but also diverse among them to form the ensemble, also controlling that all labels appear a similar number of times in the final ensemble. In all experimental studies, the methods are compared using rigorous experimental setups and statistical tests over many evaluation metrics and reference datasets in multi-label classification. The experiments confirm that the proposed methods obtain significantly better and more consistent performance than the stateof- the-art methods in multi-label classification. Furthermore, the second proposal is proven to be more efficient than the first one, given the use of separate classifiers as individuals.En los últimos años, el paradigma de clasificación multi-etiqueta ha ganado atención en la comunidad científica, dada su habilidad para resolver problemas reales donde cada instancia del conjunto de datos puede estar asociada con varias etiquetas de clase simultáneamente. Por ejemplo, en problemas médicos cada paciente puede estar afectado por varias enfermedades a la vez, o en problemas de categorización multimedia, cada ítem podría estar relacionado con varias etiquetas o temas. Dada la naturaleza de estos problemas, tratarlos como problemas de clasificación tradicional donde cada instancia puede tener asociada únicamente una etiqueta de clase, conllevaría una pérdida de información. Sin embargo, el hecho de tener más de una etiqueta asociada con cada instancia conlleva la aparición de nuevos retos que deben ser abordados, como modelar las dependencias entre etiquetas, el desbalanceo de etiquetas, y la alta dimensionalidad del espacio de salida. En la literatura se han propuesto un gran número de métodos para clasificación multi-etiqueta, incluyendo varios basados en ensembles. El aprendizaje basado en ensembles combina las salidas de varios modelos más simples y diversos entre sí, de cara a conseguir un mejor rendimiento que cada miembro por separado. En clasificación multi-etiqueta, se consideran ensembles aquellos métodos que combinan las predicciones de varios clasificadores multi-etiqueta, y estos métodos han mostrado conseguir un mejor rendimiento que los clasificadores multi-etiqueta sencillos. Por tanto, dado su buen rendimiento, centramos nuestra investigación en el estudio de métodos basados en ensembles para clasificación multi-etiqueta. El primer objetivo de esta tesis el realizar una revisión a fondo del estado del arte en ensembles de clasificadores multi-etiqueta. El objetivo de este estudio es doble: I) estudiar diferentes ensembles de clasificadores multi-etiqueta propuestos en la literatura, y categorizarlos de acuerdo a sus características proponiendo una nueva taxonomía; y II) realizar un estudio experimental para encontrar el método o familia de métodos que obtiene mejores resultados dependiendo de las características de los datos, así como ofrecer posteriormente algunas guías para seleccionar el mejor método de acuerdo a las características de un problema dado. Dado que la mayoría de ensembles para clasificación multi-etiqueta están basados en la creación de miembros diversos seleccionando aleatoriamente instancias, atributos, o etiquetas; nuestro segundo y principal objetivo es proponer nuevos modelos de ensemble para clasificación multi-etiqueta donde se tengan en cuenta las características de los datos. Para ello, primero proponemos un algoritmo evolutivo capaz de generar un ensemble de clasificadores multi-etiqueta, donde cada uno de los individuos de la población es un ensemble completo. Este enfoque es capaz de modelar las relaciones entre etiquetas con una complejidad y desbalanceo de etiquetas relativamente bajos, considerando también estas características para guiar el proceso de aprendizaje. Además, busca una estructura óptima para el ensemble, no solo considerando su capacidad predictiva, pero también teniendo en cuenta el número de veces que aparece cada etiqueta en él. De este modo, se espera que todas las etiquetas aparezcan un número de veces similar en el ensemble, sin despreciar ninguna de ellas independientemente de su frecuencia. Posteriormente, desarrollamos un segundo algoritmo evolutivo capaz de construir ensembles de clasificadores multi-etiqueta, pero donde cada individuo de la población es un hipotético miembro del ensemble, en lugar del ensemble completo. El hecho de evolucionar los miembros del ensemble por separado hace que el algoritmo sea menos complejo y capaz de determinar la calidad de cada miembro por separado. Sin embargo, también es necesario definir un método para seleccionar los miembros que formarán el ensemble. Este proceso selecciona aquellos clasificadores que sean tanto precisos como diversos entre ellos, también controlando que todas las etiquetas aparezcan un número similar de veces en el ensemble final. En todos los estudios experimentales realizados, los métodos han sido comparados utilizando rigurosas configuraciones experimentales y test estadísticos, involucrando varias métricas de evaluación y conjuntos de datos de referencia en clasificación multi-etiqueta. Los experimentos confirman que los métodos propuestos obtienen un rendimiento significativamente mejor y más consistente que los métodos en el estado del arte. Además, se demuestra que el segundo algoritmo propuesto es más eficiente que el primero, dado el uso de individuos representando clasificadores por separado

Multi-label classification models for heterogeneous data: an ensemble-based approach.

In recent years, the multi-label classification gained attention of the scientific community given its ability to solve real-world problems where each instance of the dataset may be associated with several class labels simultaneously, such as multimedia categorization or medical problems. The first objective of this dissertation is to perform a thorough review of the state-of-the-art ensembles of multi-label classifiers (EMLCs). Its aim is twofold: 1) study state-of-the-art ensembles of multi-label classifiers and categorize them proposing a novel taxonomy; and 2) perform an experimental study to give some tips and guidelines to select the method that perform the best according to the characteristics of a given problem. Since most of the EMLCs are based on creating diverse members by randomly selecting instances, input features, or labels, our main objective is to propose novel ensemble methods while considering the characteristics of the data. In this thesis, we propose two evolutionary algorithms to build EMLCs. The first proposal encodes an entire EMLC in each individual, where each member is focused on a small subset of the labels. On the other hand, the second algorithm encodes separate members in each individual, then combining the individuals of the population to build the ensemble. Finally, both methods are demonstrated to be more consistent and perform significantly better than state-of-the-art methods in multi-label classification

A hybrid algorithm for Bayesian network structure learning with application to multi-label learning

We present a novel hybrid algorithm for Bayesian network structure learning, called H2PC. It first reconstructs the skeleton of a Bayesian network and then performs a Bayesian-scoring greedy hill-climbing search to orient the edges. The algorithm is based on divide-and-conquer constraint-based subroutines to learn the local structure around a target variable. We conduct two series of experimental comparisons of H2PC against Max-Min Hill-Climbing (MMHC), which is currently the most powerful state-of-the-art algorithm for Bayesian network structure learning. First, we use eight well-known Bayesian network benchmarks with various data sizes to assess the quality of the learned structure returned by the algorithms. Our extensive experiments show that H2PC outperforms MMHC in terms of goodness of fit to new data and quality of the network structure with respect to the true dependence structure of the data. Second, we investigate H2PC's ability to solve the multi-label learning problem. We provide theoretical results to characterize and identify graphically the so-called minimal label powersets that appear as irreducible factors in the joint distribution under the faithfulness condition. The multi-label learning problem is then decomposed into a series of multi-class classification problems, where each multi-class variable encodes a label powerset. H2PC is shown to compare favorably to MMHC in terms of global classification accuracy over ten multi-label data sets covering different application domains. Overall, our experiments support the conclusions that local structural learning with H2PC in the form of local neighborhood induction is a theoretically well-motivated and empirically effective learning framework that is well suited to multi-label learning. The source code (in R) of H2PC as well as all data sets used for the empirical tests are publicly available.Comment: arXiv admin note: text overlap with arXiv:1101.5184 by other author

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

Learning Interpretable Rules for Multi-label Classification

Multi-label classification (MLC) is a supervised learning problem in which, contrary to standard multiclass classification, an instance can be associated with several class labels simultaneously. In this chapter, we advocate a rule-based approach to multi-label classification. Rule learning algorithms are often employed when one is not only interested in accurate predictions, but also requires an interpretable theory that can be understood, analyzed, and qualitatively evaluated by domain experts. Ideally, by revealing patterns and regularities contained in the data, a rule-based theory yields new insights in the application domain. Recently, several authors have started to investigate how rule-based models can be used for modeling multi-label data. Discussing this task in detail, we highlight some of the problems that make rule learning considerably more challenging for MLC than for conventional classification. While mainly focusing on our own previous work, we also provide a short overview of related work in this area.Comment: Preprint version. To appear in: Explainable and Interpretable Models in Computer Vision and Machine Learning. The Springer Series on Challenges in Machine Learning. Springer (2018). See http://www.ke.tu-darmstadt.de/bibtex/publications/show/3077 for further informatio

Deep learning for understanding multilabel imbalanced Chest X-ray datasets

Over the last few years, convolutional neural networks (CNNs) have dominated the field of computer vision thanks to their ability to extract features and their outstanding performance in classification problems, for example in the automatic analysis of X-rays. Unfortunately, these neural networks are considered black-box algorithms, i.e. it is impossible to understand how the algorithm has achieved the final result. To apply these algorithms in different fields and test how the methodology works, we need to use eXplainable AI techniques. Most of the work in the medical field focuses on binary or multiclass classification problems. However, in many real-life situations, such as chest X-rays, radiological signs of different diseases can appear at the same time. This gives rise to what is known as ”multilabel classification problems”. A disadvantage of these tasks is class imbalance, i.e. different labels do not have the same number of samples. The main contribution of this paper is a Deep Learning methodology for imbalanced, multilabel chest X-ray datasets. It establishes a baseline for the currently underutilised PadChest dataset and a new eXplainable AI technique based on heatmaps. This technique also includes probabilities and inter-model matching. The results of our system are promising, especially considering the number of labels used. Furthermore, the heatmaps match the expected areas, i.e. they mark the areas that an expert would use to make a decision.This work has been funded by Grant PLEC2021-007681 (XAI-DisInfodemics) and PID2020-117263GB-100 (FightDIS) funded by MCIN/AEI/ 10.13039/501100011033 and, as appropriate, by “ERDF A way of making Europe”, by the “European Union NextGenerationEU/PRTR”, by the research project CIVIC: Intelligent characterisation of the veracity of the information related to COVID-19, granted by BBVA FOUNDATION GRANTS FOR SCIENTIFIC RESEARCH TEAMS SARS-CoV-2 and COVID-19, by European Comission under IBERIFIER - Iberian Digital Media Research and Fact-Checking Hub (2020-EU-IA-0252), by “Convenio Plurianual with the Universidad Politécnica de Madrid in the actuation line of Programa de Excelencia para el Profesorado Universitario”, and by Comunidad Autónoma de Madrid under S2018/TCS-4566 (CYNAMON) grant. M. Sánchez-Montañés has been supported by grants PID2021-127946OB-I00 and PID2021-122347NB-I00 (funded by MCIN/AEI/ 10.13039/501100011033 and ERDF - “A way of making Europe”) and Comunidad Autónoma de Madrid, Spain (S2017/BMD-3688 MULTI-TARGET&VIEW-CM grant). J. Del Ser thanks the financial support of the Spanish Centro para el Desarrollo Tecnológico Industrial (CDTI, Ministry of Science and Innovation) through the “Red Cervera” Programme (AI4ES project), as well as the support of the Basque Government (consolidated research group MATHMODE, ref. IT1456-22

Data Mining

The availability of big data due to computerization and automation has generated an urgent need for new techniques to analyze and convert big data into useful information and knowledge. Data mining is a promising and leading-edge technology for mining large volumes of data, looking for hidden information, and aiding knowledge discovery. It can be used for characterization, classification, discrimination, anomaly detection, association, clustering, trend or evolution prediction, and much more in fields such as science, medicine, economics, engineering, computers, and even business analytics. This book presents basic concepts, ideas, and research in data mining