Document understanding using data mining and machine learning techniques

With the explosive growth of the volume and complexity of document data (e.g., news, blogs, web pages), it has become a necessity to semantically understand documents and deliver meaningful information to users. Areas dealing with these problems are crossing data mining, information retrieval, and machine learning. For example, document clustering and summarization are two fundamental techniques for understanding document data and have attracted much attention in recent years. Given a collection of documents, document clustering aims to partition them into different groups to provide efficient document browsing and navigation mechanisms. One unrevealed area in document clustering is that how to generate meaningful interpretation for the each document cluster resulted from the clustering process. Document summarization is another effective technique for document understanding, which generates a summary by selecting sentences that deliver the major or topic-relevant information in the original documents. How to improve the automatic summarization performance and apply it to newly emerging problems are two valuable research directions. To assist people to capture the semantics of documents effectively and efficiently, the dissertation focuses on developing effective data mining and machine learning algorithms and systems for (1) integrating document clustering and summarization to obtain meaningful document clusters with summarized interpretation, (2) improving document summarization performance and building document understanding systems to solve real-world applications, and (3) summarizing the differences and evolution of multiple document sources.

Combined Machine Learning Techniques for Decision Making Support in Medicine

Computational intelligent support for decision making is becoming increasingly popular and essential among medical professionals. Also, with the modern medical devices being capable to communicate with ICT, created models can easily find practical translation into software. Machine learning solutions for medicine range from the robust but opaque paradigms of support vector machines and neural networks to the also performant, yet more comprehensible, decision trees and rule-based models. So how can such different techniques be combined such that the professional obtains the whole spectrum of their particular advantages? The presented approaches have been conceived for various medical problems, while permanently bearing in mind the balance between good accuracy and understandable interpretation of the decision in order to truly establish a trustworthy ‘artificial’ second opinion for the medical expert.

Studies of CMS data access patterns with machine learning techniques

This thesis presents a study of the Grid data access patterns in distributed analysis in the CMS experiment at the LHC accelerator. This study ranges from the deep analysis of the historical patterns of access to the most relevant data types in CMS, to the exploitation of a supervised Machine Learning classification system to set-up a machinery able to eventually predict future data access patterns - i.e. the so-called dataset “popularity” of the CMS datasets on the Grid - with focus on specific data types. All the CMS workflows run on the Worldwide LHC Computing Grid (WCG) computing centers (Tiers), and in particular the distributed analysis systems sustains hundreds of users and applications submitted every day. These applications (or “jobs”) access different data types hosted on disk storage systems at a large set of WLCG Tiers. The detailed study of how this data is accessed, in terms of data types, hosting Tiers, and different time periods, allows to gain precious insight on storage occupancy over time and different access patterns, and ultimately to extract suggested actions based on this information (e.g. targetted disk clean-up and/or data replication). In this sense, the application of Machine Learning techniques allows to learn from past data and to gain predictability potential for the future CMS data access patterns. Chapter 1 provides an introduction to High Energy Physics at the LHC. Chapter 2 describes the CMS Computing Model, with special focus on the data management sector, also discussing the concept of dataset popularity. Chapter 3 describes the study of CMS data access patterns with different depth levels. Chapter 4 offers a brief introduction to basic machine learning concepts and gives an introduction to its application in CMS and discuss the results obtained by using this approach in the context of this thesis.

An investigation of two real time machine learning techniques that could enhance the adaptability of game AI agents

Developers strive to create innovative Artificial Intelligence (AI) behaviour in their games as a key selling point. Machine Learning is an area of AI that looks at how applications and agents can be programmed to learn their own behaviour without the need to manually design and implement each aspect of it. Machine learning methods have been utilised infrequently within games and are usually trained to learn offline before the game is released to the players. In order to investigate new ways AI could be applied innovatively to games it is wise to explore how machine learning methods could be utilised in real-time as the game is played, so as to allow AI agents to learn directly from the player or their environment. Two machine learning methods were implemented into a simple 2D Fighter test game to allow the agents to fully showcase their learned behaviour as the game is played. The methods chosen were: Q-Learning and an NGram based system. It was found that N-Grams and QLearning could significantly benefit game developers as they facilitate fast, realistic learning at run-time.

Machine learning techniques for implicit interaction using mobile sensors

Interactions in mobile devices normally happen in an explicit manner, which means that they are initiated by the users. Yet, users are typically unaware that they also interact implicitly with their devices. For instance, our hand pose changes naturally when we type text messages. Whilst the touchscreen captures finger touches, hand movements during this interaction however are unused. If this implicit hand movement is observed, it can be used as additional information to support or to enhance the users’ text entry experience. This thesis investigates how implicit sensing can be used to improve existing, standard interaction technique qualities. In particular, this thesis looks into enhancing front-of-device interaction through back-of-device and hand movement implicit sensing. We propose the investigation through machine learning techniques. We look into problems on how sensor data via implicit sensing can be used to predict a certain aspect of an interaction. For instance, one of the questions that this thesis attempts to answer is whether hand movement during a touch targeting task correlates with the touch position. This is a complex relationship to understand but can be best explained through machine learning. Using machine learning as a tool, such correlation can be measured, quantified, understood and used to make predictions on future touch position. Furthermore, this thesis also evaluates the predictive power of the sensor data. We show this through a number of studies. In Chapter 5 we show that probabilistic modelling of sensor inputs and recorded touch locations can be used to predict the general area of future touches on touchscreen. In Chapter 7, using SVM classifiers, we show that data from implicit sensing from general mobile interactions is user-specific. This can be used to identify users implicitly. In Chapter 6, we also show that touch interaction errors can be detected from sensor data. In our experiment, we show that there are sufficient distinguishable patterns between normal interaction signals and signals that are strongly correlated with interaction error. In all studies, we show that performance gain can be achieved by combining sensor inputs.

Application of Deep Learning techniques in the search for BSM Higgs bosons in the $\mu\mu$ final state in CMS

The Standard Model (SM) of particle physics predicts the existence of a Higgs field responsible for the generation of particles' mass. However, some aspects of this theory remain unsolved, supposing the presence of new physics Beyond the Standard Model (BSM) with the production of new particles at a higher energy scale compared to the current experimental limits. The search for additional Higgs bosons is, in fact, predicted by theoretical extensions of the SM including the Minimal Supersymmetry Standard Model (MSSM). In the MSSM, the Higgs sector consists of two Higgs doublets, resulting in five physical Higgs particles: two charged bosons $H^{\pm}$, two neutral scalars $h$ and $H$, and one pseudoscalar $A$. The work presented in this thesis is dedicated to the search of neutral non-Standard Model Higgs bosons decaying to two muons in the model independent MSSM scenario. Proton-proton collision data recorded by the CMS experiment at the CERN LHC at a center-of-mass energy of 13 TeV are used, corresponding to an integrated luminosity of $35.9\ \text{fb}^{-1}$. Such search is sensitive to neutral Higgs bosons produced either via gluon fusion process or in association with a $\text{b}\bar{\text{b}}$ quark pair. The extensive usage of Machine and Deep Learning techniques is a fundamental element in the discrimination between signal and background simulated events. A new network structure called parameterised Neural Network (pNN) has been implemented, replacing a whole set of single neural networks trained at a specific mass hypothesis value with a single neural network able to generalise well and interpolate in the entire mass range considered. The results of the pNN signal/background discrimination are used to set a model independent 95\% confidence level expected upper limit on the production cross section times branching ratio, for a generic $\phi$ boson decaying into a muon pair in the 130 to 1000 GeV range.

Development and characterization of deep learning techniques for neuroimaging data

Deep learning methods are extremely promising machine learning tools to analyze neuroimaging data. However, their potential use in clinical settings is limited because of the existing challenges of applying these methods to neuroimaging data. In this study, first a data leakage type caused by slice-level data split that is introduced during training and validation of a 2D CNN is surveyed and a quantitative assessment of the model’s performance overestimation is presented. Second, an interpretable, leakage-fee deep learning software written in a python language with a wide range of options has been developed to conduct both classification and regression analysis. The software was applied to the study of mild cognitive impairment (MCI) in patients with small vessel disease (SVD) using multi-parametric MRI data where the cognitive performance of 58 patients measured by five neuropsychological tests is predicted using a multi-input CNN model taking brain image and demographic data. Each of the cognitive test scores was predicted using different MRI-derived features. As MCI due to SVD has been hypothesized to be the effect of white matter damage, DTI-derived features MD and FA produced the best prediction outcome of the TMT-A score which is consistent with the existing literature. In a second study, an interpretable deep learning system aimed at 1) classifying Alzheimer disease and healthy subjects 2) examining the neural correlates of the disease that causes a cognitive decline in AD patients using CNN visualization tools and 3) highlighting the potential of interpretability techniques to capture a biased deep learning model is developed. Structural magnetic resonance imaging (MRI) data of 200 subjects was used by the proposed CNN model which was trained using a transfer learning-based approach producing a balanced accuracy of 71.6%. Brain regions in the frontal and parietal lobe showing the cerebral cortex atrophy were highlighted by the visualization tools.

Machine learning techniques for heavy-flavour baryon production measurements at the LHC

Il quark-gluon plasma (QGP) è uno stato della materia previsto dalla cromodinamica quantistica. L’esperimento ALICE a LHC ha tra i suoi obbiettivi principali lo studio della materia fortemente interagente e le proprietà del QGP attraverso collisioni di ioni pesanti ultra-relativistici. Per un’esaustiva comprensione di tali proprietà, le stesse misure effettuate su sistemi collidenti più piccoli (collisioni protone-protone e protone-ione) sono necessarie come riferimento. Le recenti analisi dei dati raccolti ad ALICE hanno mostrato che la nostra comprensione dei meccanismi di adronizzazione di quark pesanti non è completa, perchè i dati ottenuti in collisioni pp e p-Pb non sono riproducibili utilizzando modelli basati sui risultati ottenuti con collisioni e+e− ed ep. Per questo motivo, nuovi modelli teorici e fenomenologici, in grado di riprodurre le misure sperimentali, sono stati proposti. Gli errori associati a queste nuove misure sperimentali al momento non permettono di verificare in maniera chiara la veridicità dei diversi modelli proposti. Nei prossimi anni sarà quindi fondamentale aumentare la precisione di tali misure sperimentali; d’altra parte, stimare il numero delle diverse specie di particelle prodotte in una collisione può essere estremamente complicato. In questa tesi, il numero di barioni Lc prodotti in un campione di dati è stato ottenuto utilizzando delle tecniche di machine learning, in grado di apprendere pattern e imparare a distinguere candidate di segnale da quelle di fondo. Si sono inoltre confrontate tre diverse implementazioni di un algoritmo di Boosted Decision Trees (BDT) e si è utilizzata quella più performante per ricostruire il barione Lc in collisioni pp raccolte dall’esperimento ALICE.

ICE Emissions Estimation through Machine-learning techniques to support real-world R&D experiments

The emissions estimation, both during homologation and standard driving, is one of the new challenges that automotive industries have to face. The new European and American regulation will allow a lower and lower quantity of Carbon Monoxide emission and will require that all the vehicles have to be able to monitor their own pollutants production. Since numerical models are too computationally expensive and approximated, new solutions based on Machine Learning are replacing standard techniques. In this project we considered a real V12 Internal Combustion Engine to propose a novel approach pushing Random Forests to generate meaningful prediction also in extreme cases (extrapolation, very high frequency peaks, noisy instrumentation etc.). The present work proposes also a data preprocessing pipeline for strongly unbalanced datasets and a reinterpretation of the regression problem as a classification problem in a logarithmic quantized domain. Results have been evaluated for two different models representing a pure interpolation scenario (more standard) and an extrapolation scenario, to test the out of bounds robustness of the model. The employed metrics take into account different aspects which can affect the homologation procedure, so the final analysis will focus on combining all the specific performances together to obtain the overall conclusions.

Traditional education vs modern education. What is the impact of teaching techniques' evolution on students learning process?

The main objective of this article is to focus on the analysis of teaching techniques, ranging from the use of the blackboard and chalk in old traditional classes, using slides and overhead projectors in the eighties and use of presentation software in the nineties, to the video, electronic board and network resources nowadays. Furthermore, all the aforementioned, is viewed under the different mentalities in which the teacher conditions the student using the new teaching technique, improving soft skills but maybe leading either to encouragement or disinterest, and including the lack of educational knowledge consolidation at scientific, technology and specific levels. In the same way, we study the process of adaptation required for teachers, the differences in the processes of information transfer and education towards the student, and even the existence of teachers who are not any longer appealed by their work due which has become much simpler due to new technologies and the greater ease in the development of classes due to the criteria described on the new Grade Programs adopted by the European Higher Education Area. Moreover, it is also intended to understand the evolution of students’ profiles, from the eighties to present time, in order to understand certain attitudes, behaviours, accomplishments and acknowledgements acquired over the semesters within the degree Programs. As an Educational Innovation Group, another key question also arises. What will be the learning techniques in the future?. How these evolving matters will affect both positively and negatively on the mentality, attitude, behaviour, learning, achievement of goals and satisfaction levels of all elements involved in universities’ education? Clearly, this evolution from chalk to the electronic board, the three-dimensional view of our works and their sequence, greatly facilitates the understanding and adaptation later on to the business world, but does not answer to the unknowns regarding the knowledge and the full development of achievement’s indicators in basic skills of a degree. This is the underlying question which steers the roots of the presented research.

Techniques for batch reinforcement learning in robotics

This thesis addresses the Batch Reinforcement Learning methods in Robotics. This sub-class of Reinforcement Learning has shown promising results and has been the focus of recent research. Three contributions are proposed that aim to extend the state-of-art methods allowing for a faster and more stable learning process, such as required for learning in Robotics. The Q-learning update-rule is widely applied, since it allows to learn without the presence of a model of the environment. However, this update-rule is transition-based and does not take advantage of the underlying episodic structure of collected batch of interactions. The Q-Batch update-rule is proposed in this thesis, to process experiencies along the trajectories collected in the interaction phase. This allows a faster propagation of obtained rewards and penalties, resulting in faster and more robust learning. Non-parametric function approximations are explored, such as Gaussian Processes. This type of approximators allows to encode prior knowledge about the latent function, in the form of kernels, providing a higher level of exibility and accuracy. The application of Gaussian Processes in Batch Reinforcement Learning presented a higher performance in learning tasks than other function approximations used in the literature. Lastly, in order to extract more information from the experiences collected by the agent, model-learning techniques are incorporated to learn the system dynamics. In this way, it is possible to augment the set of collected experiences with experiences generated through planning using the learned models. Experiments were carried out mainly in simulation, with some tests carried out in a physical robotic platform. The obtained results show that the proposed approaches are able to outperform the classical Fitted Q Iteration.

Making distance learning E.R.O.T.I.C.: Applying interpretation principles to distance learning

Distance learners are self-directed learners traditionally taught via study books, collections of readings, and exercises to test understanding of learning packages. Despite advances in e-Learning environments and computer-based teaching interfaces, distance learners still lack opportunities to participate in exercises and debates available to classroom learners, particularly through non-text based learning techniques. Effective distance teaching requires flexible learning opportunities. Using arguments developed in interpretation literature, we argue that effective distance learning must also be Entertaining, Relevant, Organised, Thematic, Involving and Creative—E.R.O.T.I.C. (after Ham, 1992). We discuss an experiment undertaken with distance learners at The University of Queensland Gatton Campus, where we initiated an E.R.O.T.I.C. external teaching package aimed at engaging distance learners but using multimedia, including but not limited to text-based learning tools. Student responses to non-text media were positive.

Automatic learning for the classification of chemical reactions and in statistical thermodynamics

This Thesis describes the application of automatic learning methods for a) the classification of organic and metabolic reactions, and b) the mapping of Potential Energy Surfaces(PES). The classification of reactions was approached with two distinct methodologies: a representation of chemical reactions based on NMR data, and a representation of chemical reactions from the reaction equation based on the physico-chemical and topological features of chemical bonds. NMR-based classification of photochemical and enzymatic reactions. Photochemical and metabolic reactions were classified by Kohonen Self-Organizing Maps (Kohonen SOMs) and Random Forests (RFs) taking as input the difference between the 1H NMR spectra of the products and the reactants. The development of such a representation can be applied in automatic analysis of changes in the 1H NMR spectrum of a mixture and their interpretation in terms of the chemical reactions taking place. Examples of possible applications are the monitoring of reaction processes, evaluation of the stability of chemicals, or even the interpretation of metabonomic data. A Kohonen SOM trained with a data set of metabolic reactions catalysed by transferases was able to correctly classify 75% of an independent test set in terms of the EC number subclass. Random Forests improved the correct predictions to 79%. With photochemical reactions classified into 7 groups, an independent test set was classified with 86-93% accuracy. The data set of photochemical reactions was also used to simulate mixtures with two reactions occurring simultaneously. Kohonen SOMs and Feed-Forward Neural Networks (FFNNs) were trained to classify the reactions occurring in a mixture based on the 1H NMR spectra of the products and reactants. Kohonen SOMs allowed the correct assignment of 53-63% of the mixtures (in a test set). Counter-Propagation Neural Networks (CPNNs) gave origin to similar results. The use of supervised learning techniques allowed an improvement in the results. They were improved to 77% of correct assignments when an ensemble of ten FFNNs were used and to 80% when Random Forests were used. This study was performed with NMR data simulated from the molecular structure by the SPINUS program. In the design of one test set, simulated data was combined with experimental data. The results support the proposal of linking databases of chemical reactions to experimental or simulated NMR data for automatic classification of reactions and mixtures of reactions. Genome-scale classification of enzymatic reactions from their reaction equation. The MOLMAP descriptor relies on a Kohonen SOM that defines types of bonds on the basis of their physico-chemical and topological properties. The MOLMAP descriptor of a molecule represents the types of bonds available in that molecule. The MOLMAP descriptor of a reaction is defined as the difference between the MOLMAPs of the products and the reactants, and numerically encodes the pattern of bonds that are broken, changed, and made during a chemical reaction. The automatic perception of chemical similarities between metabolic reactions is required for a variety of applications ranging from the computer validation of classification systems, genome-scale reconstruction (or comparison) of metabolic pathways, to the classification of enzymatic mechanisms. Catalytic functions of proteins are generally described by the EC numbers that are simultaneously employed as identifiers of reactions, enzymes, and enzyme genes, thus linking metabolic and genomic information. Different methods should be available to automatically compare metabolic reactions and for the automatic assignment of EC numbers to reactions still not officially classified. In this study, the genome-scale data set of enzymatic reactions available in the KEGG database was encoded by the MOLMAP descriptors, and was submitted to Kohonen SOMs to compare the resulting map with the official EC number classification, to explore the possibility of predicting EC numbers from the reaction equation, and to assess the internal consistency of the EC classification at the class level. A general agreement with the EC classification was observed, i.e. a relationship between the similarity of MOLMAPs and the similarity of EC numbers. At the same time, MOLMAPs were able to discriminate between EC sub-subclasses. EC numbers could be assigned at the class, subclass, and sub-subclass levels with accuracies up to 92%, 80%, and 70% for independent test sets. The correspondence between chemical similarity of metabolic reactions and their MOLMAP descriptors was applied to the identification of a number of reactions mapped into the same neuron but belonging to different EC classes, which demonstrated the ability of the MOLMAP/SOM approach to verify the internal consistency of classifications in databases of metabolic reactions. RFs were also used to assign the four levels of the EC hierarchy from the reaction equation. EC numbers were correctly assigned in 95%, 90%, 85% and 86% of the cases (for independent test sets) at the class, subclass, sub-subclass and full EC number level,respectively. Experiments for the classification of reactions from the main reactants and products were performed with RFs - EC numbers were assigned at the class, subclass and sub-subclass level with accuracies of 78%, 74% and 63%, respectively. In the course of the experiments with metabolic reactions we suggested that the MOLMAP / SOM concept could be extended to the representation of other levels of metabolic information such as metabolic pathways. Following the MOLMAP idea, the pattern of neurons activated by the reactions of a metabolic pathway is a representation of the reactions involved in that pathway - a descriptor of the metabolic pathway. This reasoning enabled the comparison of different pathways, the automatic classification of pathways, and a classification of organisms based on their biochemical machinery. The three levels of classification (from bonds to metabolic pathways) allowed to map and perceive chemical similarities between metabolic pathways even for pathways of different types of metabolism and pathways that do not share similarities in terms of EC numbers. Mapping of PES by neural networks (NNs). In a first series of experiments, ensembles of Feed-Forward NNs (EnsFFNNs) and Associative Neural Networks (ASNNs) were trained to reproduce PES represented by the Lennard-Jones (LJ) analytical potential function. The accuracy of the method was assessed by comparing the results of molecular dynamics simulations (thermal, structural, and dynamic properties) obtained from the NNs-PES and from the LJ function. The results indicated that for LJ-type potentials, NNs can be trained to generate accurate PES to be used in molecular simulations. EnsFFNNs and ASNNs gave better results than single FFNNs. A remarkable ability of the NNs models to interpolate between distant curves and accurately reproduce potentials to be used in molecular simulations is shown. The purpose of the first study was to systematically analyse the accuracy of different NNs. Our main motivation, however, is reflected in the next study: the mapping of multidimensional PES by NNs to simulate, by Molecular Dynamics or Monte Carlo, the adsorption and self-assembly of solvated organic molecules on noble-metal electrodes. Indeed, for such complex and heterogeneous systems the development of suitable analytical functions that fit quantum mechanical interaction energies is a non-trivial or even impossible task. The data consisted of energy values, from Density Functional Theory (DFT) calculations, at different distances, for several molecular orientations and three electrode adsorption sites. The results indicate that NNs require a data set large enough to cover well the diversity of possible interaction sites, distances, and orientations. NNs trained with such data sets can perform equally well or even better than analytical functions. Therefore, they can be used in molecular simulations, particularly for the ethanol/Au (111) interface which is the case studied in the present Thesis. Once properly trained, the networks are able to produce, as output, any required number of energy points for accurate interpolations.

Adapter module for self-learning production systems

Dissertação para obtenção do Grau de Mestre em Engenharia Electrotécnica, Sistemas e Computadores

Neuroimaging techniques in Alzheimer's disease

Neuroimaging techniques provide valuable tools for diagnosing Alzheimer's disease (AD), monitoring disease progression and evaluating responses to treatment. There is currently a wide array of techniques available including computed tomography (CT), magnetic resonance imaging (MRI), positron emission tomography (PET), and, for recording electrical brain activity, electroencephalography (EEG). The choice of technique depends on the contrast between tissues of interest, spatial resolution, temporal resolution, requirements for functional data and the probable number of scans required. For example, while PET, CT and MRI can be used to differentiate between AD and other dementias, MRI is safer and provides better contrast of soft tissues. Neuroimaging is a technique spanning many disciplines and requires effective communication between doctors requesting a scan of a patient or group of patients and those with technical expertise. Consideration and discussion of the most suitable type of scan and the necessary settings to achieve the best results will help ensure appropriate techniques are chosen and used effectively. Neuroimaging techniques are currently expanding understanding of the structural and functional changes that occur in dementia. Further research may allow identification of early neurological signs ofAD, before clinical symptoms are evident, providing the opportunity to test preventative therapies. CombiningMRI and machine learning techniques may be a powerful approach to improve diagnosis ofAD and to predict clinical outcomes.