Weighting Policies for Robust Unsupervised Ensemble Learning

The unsupervised ensemble learning, or consensus clustering, consists of finding the optimal com- bination strategy of individual partitions that is robust in comparison to the selection of an algorithmic clustering pool. Despite its strong properties, this approach assigns the same weight to the contribution of each clustering to the final solution. We propose a weighting policy for this problem that is based on internal clustering quality measures and compare against other modern approaches. Results on publicly available datasets show that weights can significantly improve the accuracy performance while retaining the robust properties. Since the issue of determining an appropriate number of clusters, which is a primary input for many clustering methods is one of the significant challenges, we have used the same methodology to predict correct or the most suitable number of clusters as well. Among various methods, using internal validity indexes in conjunction with a suitable algorithm is one of the most popular way to determine the appropriate number of cluster. Thus, we use weighted consensus clustering along with four different indexes which are Silhouette (SH), Calinski-Harabasz (CH), Davies-Bouldin (DB), and Consensus (CI) indexes. Our experiment indicates that weighted consensus clustering together with chosen indexes is a useful method to determine right or the most appropriate number of clusters in comparison to individual clustering methods (e.g., k-means) and consensus clustering. Lastly, to decrease the variance of proposed weighted consensus clustering, we borrow the idea of Markowitz portfolio theory and implement its core idea to clustering domain. We aim to optimize the combination of individual clustering methods to minimize the variance of clustering accuracy. This is a new weighting policy to produce partition with a lower variance which might be crucial for a decision maker. Our study shows that using the idea of Markowitz portfolio theory will create a partition with a less variation in comparison to traditional consensus clustering and proposed weighted consensus clustering

Contribution to the knowledge of hierarchical clustering algorithms and consensus clustering. Studies applied to personal recognition by hands biometrics

In exploratory data analysis, hierarchical clustering algorithms with its features can provide different clusterings when applied to the same data set. In the presence of several clusterings, each one identifying a specific data structure, consensus clustering provide a contribution to deal with this issue. The work reported here is composed by two parts: In the first part, we intend to explore the profile of base hierarchical clusterings, according to their variabilities, to obtain the consensus clustering. As a first result of our researches, we identified the consensus clustering technique as having better performance than the others, depending on the characteristics of hierarchical clusterings used as base. This result allows us to identify a sufficient condition for the existence of consensus clustering, as well as define a new strategy to evaluate the consensus clustering. It also leads to study a new property of hierarchical clustering algorithms. In the second part, we explore a real-world application. In a first analysis, we use data sets derived by biometrics extracted from hands for personal recognition. We show that the hierarchical clusterings obtained by SEP/COP algorithms, can provide results with great accuracy when applied to these data sets. Furthermore, we found an increased 100% of recognition rate, comparing to the ones found in literature. In a second analysis, we consider the application of consensus clustering techniques to the problem of the identification of people's parenting by the hands biometrics. The results obtained indicate that hand’s photography has information that allows the identification of people’s family members but, according to our data, we didn't have very positive results (we observed a probability of 95% of the parents, and 94% of a sibling to be in the half of the more similar hands) that we believe it’s due to the poor quality of the photographs we used. However, the results indicate that the technique has potential, and if the collection of photographs is made using a scanner with fixed pins, the hand may be an interesting alternative for the identification of parenting of missing children when it is applied the consensus clustering

Unsupervised Algorithms for Microarray Sample Stratification

The amount of data made available by microarrays gives researchers the opportunity to delve into the complexity of biological systems. However, the noisy and extremely high-dimensional nature of this kind of data poses significant challenges. Microarrays allow for the parallel measurement of thousands of molecular objects spanning different layers of interactions. In order to be able to discover hidden patterns, the most disparate analytical techniques have been proposed. Here, we describe the basic methodologies to approach the analysis of microarray datasets that focus on the task of (sub)group discovery.Peer reviewe

Ensemble clustering via heuristic optimisation

This thesis was submitted for the degree of Doctor of Philosophy and was awarded by Brunel UniversityTraditional clustering algorithms have different criteria and biases, and there is no single algorithm that can be the best solution for a wide range of data sets. This problem often presents a significant obstacle to analysts in revealing meaningful information buried among the huge amount of data. Ensemble Clustering has been proposed as a way to avoid the biases and improve the accuracy of clustering. The difficulty in developing Ensemble Clustering methods is to combine external information (provided by input clusterings) with internal information (i.e. characteristics of given data) effectively to improve the accuracy of clustering. The work presented in this thesis focuses on enhancing the clustering accuracy of Ensemble Clustering by employing heuristic optimisation techniques to achieve a robust combination of relevant information during the consensus clustering stage. Two novel heuristic optimisation-based Ensemble Clustering methods, Multi-Optimisation Consensus Clustering (MOCC) and K-Ants Consensus Clustering (KACC), are developed and introduced in this thesis. These methods utilise two heuristic optimisation algorithms (Simulated Annealing and Ant Colony Optimisation) for their Ensemble Clustering frameworks, and have been proved to outperform other methods in the area. The extensive experimental results, together with a detailed analysis, will be presented in this thesis

Validação de heterogeneidade estrutural em dados de Crio-ME por comitês de agrupadores

Orientadores: Fernando José Von Zuben, Rodrigo Villares PortugalDissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Elétrica e de ComputaçãoResumo: Análise de Partículas Isoladas é uma técnica que permite o estudo da estrutura tridimensional de proteínas e outros complexos macromoleculares de interesse biológico. Seus dados primários consistem em imagens de microscopia eletrônica de transmissão de múltiplas cópias da molécula em orientações aleatórias. Tais imagens são bastante ruidosas devido à baixa dose de elétrons utilizada. Reconstruções 3D podem ser obtidas combinando-se muitas imagens de partículas em orientações similares e estimando seus ângulos relativos. Entretanto, estados conformacionais heterogêneos frequentemente coexistem na amostra, porque os complexos moleculares podem ser flexíveis e também interagir com outras partículas. Heterogeneidade representa um desafio na reconstrução de modelos 3D confiáveis e degrada a resolução dos mesmos. Entre os algoritmos mais populares usados para classificação estrutural estão o agrupamento por k-médias, agrupamento hierárquico, mapas autoorganizáveis e estimadores de máxima verossimilhança. Tais abordagens estão geralmente entrelaçadas à reconstrução dos modelos 3D. No entanto, trabalhos recentes indicam ser possível inferir informações a respeito da estrutura das moléculas diretamente do conjunto de projeções 2D. Dentre estas descobertas, está a relação entre a variabilidade estrutural e manifolds em um espaço de atributos multidimensional. Esta dissertação investiga se um comitê de algoritmos de não-supervisionados é capaz de separar tais "manifolds conformacionais". Métodos de "consenso" tendem a fornecer classificação mais precisa e podem alcançar performance satisfatória em uma ampla gama de conjuntos de dados, se comparados a algoritmos individuais. Nós investigamos o comportamento de seis algoritmos de agrupamento, tanto individualmente quanto combinados em comitês, para a tarefa de classificação de heterogeneidade conformacional. A abordagem proposta foi testada em conjuntos sintéticos e reais contendo misturas de imagens de projeção da proteína Mm-cpn nos estados "aberto" e "fechado". Demonstra-se que comitês de agrupadores podem fornecer informações úteis na validação de particionamentos estruturais independetemente de algoritmos de reconstrução 3DAbstract: Single Particle Analysis is a technique that allows the study of the three-dimensional structure of proteins and other macromolecular assemblies of biological interest. Its primary data consists of transmission electron microscopy images from multiple copies of the molecule in random orientations. Such images are very noisy due to the low electron dose employed. Reconstruction of the macromolecule can be obtained by averaging many images of particles in similar orientations and estimating their relative angles. However, heterogeneous conformational states often co-exist in the sample, because the molecular complexes can be flexible and may also interact with other particles. Heterogeneity poses a challenge to the reconstruction of reliable 3D models and degrades their resolution. Among the most popular algorithms used for structural classification are k-means clustering, hierarchical clustering, self-organizing maps and maximum-likelihood estimators. Such approaches are usually interlaced with the reconstructions of the 3D models. Nevertheless, recent works indicate that it is possible to infer information about the structure of the molecules directly from the dataset of 2D projections. Among these findings is the relationship between structural variability and manifolds in a multidimensional feature space. This dissertation investigates whether an ensemble of unsupervised classification algorithms is able to separate these "conformational manifolds". Ensemble or "consensus" methods tend to provide more accurate classification and may achieve satisfactory performance across a wide range of datasets, when compared with individual algorithms. We investigate the behavior of six clustering algorithms both individually and combined in ensembles for the task of structural heterogeneity classification. The approach was tested on synthetic and real datasets containing a mixture of images from the Mm-cpn chaperonin in the "open" and "closed" states. It is shown that cluster ensembles can provide useful information in validating the structural partitionings independently of 3D reconstruction methodsMestradoEngenharia de ComputaçãoMestre em Engenharia Elétric

Multiple Partitioning of Multiplex Signed Networks: Application to European Parliament Votes

For more than a decade, graphs have been used to model the voting behavior taking place in parliaments. However, the methods described in the literature suffer from several limitations. The two main ones are that 1) they rely on some temporal integration of the raw data, which causes some information loss, and/or 2) they identify groups of antagonistic voters, but not the context associated to their occurrence. In this article, we propose a novel method taking advantage of multiplex signed graphs to solve both these issues. It consists in first partitioning separately each layer, before grouping these partitions by similarity. We show the interest of our approach by applying it to a European Parliament dataset.Comment: Social Networks, 2020, 60, 83 - 10

Doctor of Philosophy

dissertationWith the tremendous growth of data produced in the recent years, it is impossible to identify patterns or test hypotheses without reducing data size. Data mining is an area of science that extracts useful information from the data by discovering patterns and structures present in the data. In this dissertation, we will largely focus on clustering which is often the first step in any exploratory data mining task, where items that are similar to each other are grouped together, making downstream data analysis robust. Different clustering techniques have different strengths, and the resulting groupings provide different perspectives on the data. Due to the unsupervised nature i.e., the lack of domain experts who can label the data, validation of results is very difficult. While there are measures that compute "goodness" scores for clustering solutions as a whole, there are few methods that validate the assignment of individual data items to their clusters. To address these challenges we focus on developing a framework that can generate, compare, combine, and evaluate different solutions to make more robust and significant statements about the data. In the first part of this dissertation, we present fast and efficient techniques to generate and combine different clustering solutions. We build on some recent ideas on efficient representations of clusters of partitions to develop a well founded metric that is spatially aware to compare clusterings. With the ability to compare clusterings, we describe a heuristic to combine different solutions to produce a single high quality clustering. We also introduce a Markov chain Monte Carlo approach to sample different clusterings from the entire landscape to provide the users with a variety of choices. In the second part of this dissertation, we build certificates for individual data items and study their influence on effective data reduction. We present a geometric approach by defining regions of influence for data items and clusters and use this to develop adaptive sampling techniques to speedup machine learning algorithms. This dissertation is therefore a systematic approach to study the landscape of clusterings in an attempt to provide a better understanding of the data

Learning the Consensus of Multiple Correspondences between Data Structures

En aquesta tesi presentem un marc de treball per aprendre el consens donades múltiples correspondències. S'assumeix que les diferents parts involucrades han generat aquestes correspondències per separat, i el nostre sistema actua com un mecanisme que calibra diferents característiques i considera diferents paràmetres per aprendre les millors assignacions i així, conformar una correspondència amb la major precisió possible a costa d'un cost computacional raonable. Aquest marc de treball de consens és presentat en una forma gradual, començant pels desenvolupaments més bàsics que utilitzaven exclusivament conceptes ben definits o únicament un parell de correspondències, fins al model final que és capaç de considerar múltiples correspondències, amb la capacitat d'aprendre automàticament alguns paràmetres de ponderació. Cada pas d'aquest marc de treball és avaluat fent servir bases de dades de naturalesa variada per demostrar efectivament que és possible tractar diferents escenaris de matching. Addicionalment, dos avanços suplementaris relacionats amb correspondències es presenten en aquest treball. En primer lloc, una nova mètrica de distància per correspondències s'ha desenvolupat, la qual va derivar en una nova estratègia per a la cerca de mitjanes ponderades. En segon lloc, un marc de treball específicament dissenyat per a generar correspondències al camp del registre d'imatges s'ha modelat, on es considera que una de les imatges és una imatge completa, i l'altra és una mostra petita d'aquesta. La conclusió presenta noves percepcions de com el nostre marc de treball de consens pot ser millorada, i com els dos desenvolupaments paral·lels poden convergir amb el marc de treball de consens.En esta tesis presentamos un marco de trabajo para aprender el consenso dadas múltiples correspondencias. Se asume que las distintas partes involucradas han generado dichas correspondencias por separado, y nuestro sistema actúa como un mecanismo que calibra distintas características y considera diferentes parámetros para aprender las mejores asignaciones y así, conformar una correspondencia con la mayor precisión posible a expensas de un costo computacional razonable. El marco de trabajo de consenso es presentado en una forma gradual, comenzando por los acercamientos más básicos que utilizaban exclusivamente conceptos bien definidos o únicamente un par de correspondencias, hasta el modelo final que es capaz de considerar múltiples correspondencias, con la capacidad de aprender automáticamente algunos parámetros de ponderación. Cada paso de este marco de trabajo es evaluado usando bases de datos de naturaleza variada para demostrar efectivamente que es posible tratar diferentes escenarios de matching. Adicionalmente, dos avances suplementarios relacionados con correspondencias son presentados en este trabajo. En primer lugar, una nueva métrica de distancia para correspondencias ha sido desarrollada, la cual derivó en una nueva estrategia para la búsqueda de medias ponderadas. En segundo lugar, un marco de trabajo específicamente diseñado para generar correspondencias en el campo del registro de imágenes ha sido establecida, donde se considera que una de las imágenes es una imagen completa, y la otra es una muestra pequeña de ésta. La conclusión presenta nuevas percepciones de cómo nuestro marco de trabajo de consenso puede ser mejorada, y cómo los dos desarrollos paralelos pueden converger con éste.In this work, we present a framework to learn the consensus given multiple correspondences. It is assumed that the several parties involved have generated separately these correspondences, and our system acts as a mechanism that gauges several characteristics and considers different parameters to learn the best mappings and thus, conform a correspondence with the highest possible accuracy at the expense of a reasonable computational cost. The consensus framework is presented in a gradual form, starting from the most basic approaches that used exclusively well-known concepts or only two correspondences, until the final model which is able to consider multiple correspondences, with the capability of automatically learning some weighting parameters. Each step of the framework is evaluated using databases of varied nature to effectively demonstrate that it is capable to address different matching scenarios. In addition, two supplementary advances related on correspondences are presented in this work. Firstly, a new distance metric for correspondences has been developed, which lead to a new strategy for the weighted mean correspondence search. Secondly, a framework specifically designed for correspondence generation in the image registration field has been established, where it is considered that one of the images is a full image, and the other one is a small sample of it. The conclusion presents insights of how our consensus framework can be enhanced, and how these two parallel developments can converge with it