Predicting the concentration of residual methanol in industrial formalin using machine learning

In this thesis, a machine learning approach was used to develop a predictive model for residual methanol concentration in industrial formalin produced at the Akzo Nobel factory in Kristinehamn, Sweden. The MATLABTM computational environment supplemented with the Statistics and Machine LearningTM toolbox from the MathWorks were used to test various machine learning algorithms on the formalin production data from Akzo Nobel. As a result, the Gaussian Process Regression algorithm was found to provide the best results and was used to create the predictive model. The model was compiled to a stand-alone application with a graphical user interface using the MATLAB CompilerTM.

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.

An Artificial Intelligence Approach to Dyscalculia

Dyscalculia stands for a brain-based condition that makes it hard to make sense of numbers and mathematical concepts. Some adolescents with dyscalculia cannot grasp basic number concepts. They work hard to learn and memorize basic number facts. They may know what to do in mathematical classes but do not understand why they are doing it. In other words, they miss the logic behind it. However, it may be worked out in order to decrease its degree of severity. For example, disMAT, an app developed for android may help children to apply mathematical concepts, without much effort, that is turning in itself, a promising tool to dyscalculia treatment. Thus, this work focuses on the development of an Intelligent System to estimate children evidences of dyscalculia, based on data obtained on-the-fly with disMAT. The computational framework is built on top of a Logic Programming framework to Knowledge Representation and Reasoning, complemented with a Case-Based problem solving approach to computing, that allows for the handling of incomplete, unknown, or even contradictory information.

An Artificial Intelligence Approach to Individuals' Age Assessment

A link between patterns of pelvic growth and human life history is supported by the finding that, cross-culturally, variation in maturation rates of female pelvis are correlated with variation in ages of menarche and first reproduction, i.e., it is well known that the human dimensions of the pelvic bones depend on the gender and vary with the age. Indeed, one feature in which humans appear to be unique is the prolonged growth of the pelvis after the age of sexual maturity. Both the total superoinferior length and mediolateral breadth of the pelvis continues to grow markedly after puberty, and do not reach adult proportions until the late teens years. This continuation of growth is accomplished by relatively late fusion of the separate centers of ossification that form the bones of the pelvis. Hence, in this work we will focus on the development of an intelligent decision support system to predict individual’s age based on a pelvis' dimensions criteria. Some basic image processing techniques were applied in order to extract the relevant features from pelvic X-rays, being the computational framework built on top of a Logic Programming approach to Knowledge Representation and Reasoning that caters for the handling of incomplete, unknown, or even self-contradictory information, complemented with a Case Base approach to computing.

Um estudo de descritores e classificadores para reconhecimento de bagas de café.

RESUMO - Métodos de reconhecimento de frutos baseados na utilização de diferentes descritores e classificadores foram estudados. Foi utilizada uma base de dados de 3.393 imagens de café e não-café anteriormente criada e rotulada manualmente. Testes quantitativos demonstraram a identificação de bagas com 93% de precisão e 77% de cobertura utilizando descritores HoG adicionados a mediana dos componentes de cor do formato La*b*, aliados ao classificador Gradient Boosting. Esses resultados melhoram o método anteriormente proposto por Santos (2015), e demonstram a possibilidade de evolução de métodos que podem ser aplicados em metodologias de agricultura de precisão, monitoramento e predição de safra.

Machine learning per l'idrologia: applicazione del metodo random forests per la previsione degli eventi di piena fluviale con un approccio probabilistico

Le tecniche di Machine Learning sono molto utili in quanto consento di massimizzare l’utilizzo delle informazioni in tempo reale. Il metodo Random Forests può essere annoverato tra le tecniche di Machine Learning più recenti e performanti. Sfruttando le caratteristiche e le potenzialità di questo metodo, la presente tesi di dottorato affronta due casi di studio differenti; grazie ai quali è stato possibile elaborare due differenti modelli previsionali. Il primo caso di studio si è incentrato sui principali fiumi della regione Emilia-Romagna, caratterizzati da tempi di risposta molto brevi. La scelta di questi fiumi non è stata casuale: negli ultimi anni, infatti, in detti bacini si sono verificati diversi eventi di piena, in gran parte di tipo “flash flood”. Il secondo caso di studio riguarda le sezioni principali del fiume Po, dove il tempo di propagazione dell’onda di piena è maggiore rispetto ai corsi d’acqua del primo caso di studio analizzato. Partendo da una grande quantità di dati, il primo passo è stato selezionare e definire i dati in ingresso in funzione degli obiettivi da raggiungere, per entrambi i casi studio. Per l’elaborazione del modello relativo ai fiumi dell’Emilia-Romagna, sono stati presi in considerazione esclusivamente i dati osservati; a differenza del bacino del fiume Po in cui ai dati osservati sono stati affiancati anche i dati di previsione provenienti dalla catena modellistica Mike11 NAM/HD. Sfruttando una delle principali caratteristiche del metodo Random Forests, è stata stimata una probabilità di accadimento: questo aspetto è fondamentale sia nella fase tecnica che in fase decisionale per qualsiasi attività di intervento di protezione civile. L'elaborazione dei dati e i dati sviluppati sono stati effettuati in ambiente R. Al termine della fase di validazione, gli incoraggianti risultati ottenuti hanno permesso di inserire il modello sviluppato nel primo caso studio all’interno dell’architettura operativa di FEWS.

Machine Learning methods for hepatocellular malignancies segmentation and MVI prediction

The aim of this thesis project is to automatically localize HCC tumors in the human liver and subsequently predict if the tumor will undergo microvascular infiltration (MVI), the initial stage of metastasis development. The input data for the work have been partially supplied by Sant'Orsola Hospital and partially downloaded from online medical databases. Two Unet models have been implemented for the automatic segmentation of the livers and the HCC malignancies within it. The segmentation models have been evaluated with the Intersection-over-Union and the Dice Coefficient metrics. The outcomes obtained for the liver automatic segmentation are quite good (IOU = 0.82; DC = 0.35); the outcomes obtained for the tumor automatic segmentation (IOU = 0.35; DC = 0.46) are, instead, affected by some limitations: it can be state that the algorithm is almost always able to detect the location of the tumor, but it tends to underestimate its dimensions. The purpose is to achieve the CT images of the HCC tumors, necessary for features extraction. The 14 Haralick features calculated from the 3D-GLCM, the 120 Radiomic features and the patients' clinical information are collected to build a dataset of 153 features. Now, the goal is to build a model able to discriminate, based on the features given, the tumors that will undergo MVI and those that will not. This task can be seen as a classification problem: each tumor needs to be classified either as “MVI positive” or “MVI negative”. Techniques for features selection are implemented to identify the most descriptive features for the problem at hand and then, a set of classification models are trained and compared. Among all, the models with the best performances (around 80-84% ± 8-15%) result to be the XGBoost Classifier, the SDG Classifier and the Logist Regression models (without penalization and with Lasso, Ridge or Elastic Net penalization).

Tecniche di machine learning per type inference di linguaggi tipati dinamicamente

In questa tesi vengono discusse le principali tecniche di machine learning riguardanti l'inferenza di tipo nei linguaggi tipati dinamicamente come Python. In aggiunta è stato creato un dataset di progetti Python per l'addestramento di modelli capaci di analizzare il codice

Machine Learning Unsupervised Methods in the Design of an On-board Health Monitoring System for Satellite Applications

The dissertation starts by providing a description of the phenomena related to the increasing importance recently acquired by satellite applications. The spread of such technology comes with implications, such as an increase in maintenance cost, from which derives the interest in developing advanced techniques that favor an augmented autonomy of spacecrafts in health monitoring. Machine learning techniques are widely employed to lay a foundation for effective systems specialized in fault detection by examining telemetry data. Telemetry consists of a considerable amount of information; therefore, the adopted algorithms must be able to handle multivariate data while facing the limitations imposed by on-board hardware features. In the framework of outlier detection, the dissertation addresses the topic of unsupervised machine learning methods. In the unsupervised scenario, lack of prior knowledge of the data behavior is assumed. In the specific, two models are brought to attention, namely Local Outlier Factor and One-Class Support Vector Machines. Their performances are compared in terms of both the achieved prediction accuracy and the equivalent computational cost. Both models are trained and tested upon the same sets of time series data in a variety of settings, finalized at gaining insights on the effect of the increase in dimensionality. The obtained results allow to claim that both models, combined with a proper tuning of their characteristic parameters, successfully comply with the role of outlier detectors in multivariate time series data. Nevertheless, under this specific context, Local Outlier Factor results to be outperforming One-Class SVM, in that it proves to be more stable over a wider range of input parameter values. This property is especially valuable in unsupervised learning since it suggests that the model is keen to adapting to unforeseen patterns.

Novel Machine-Learning Based IC Testing Strategy

The final goal of the thesis should be a real-world application in the production test data environment. This includes the pre-processing of the data, building models and visualizing the results. To do this, different machine learning models, outlier prediction oriented, should be investigated using a real dataset. Finally, the different outlier prediction algorithms should be compared, and their performance discussed.

Rilevamento della qualità del manto stradale: un approccio sperimentale tramite Machine Learning

Il riconoscimento delle condizioni del manto stradale partendo esclusivamente dai dati raccolti dallo smartphone di un ciclista a bordo del suo mezzo è un ambito di ricerca finora poco esplorato. Per lo sviluppo di questa tesi è stata sviluppata un'apposita applicazione, che combinata a script Python permette di riconoscere differenti tipologie di asfalto. L’applicazione raccoglie i dati rilevati dai sensori di movimento integrati nello smartphone, che registra i movimenti mentre il ciclista è alla guida del suo mezzo. Lo smartphone è fissato in un apposito holder fissato sul manubrio della bicicletta e registra i dati provenienti da giroscopio, accelerometro e magnetometro. I dati sono memorizzati su file CSV, che sono elaborati fino ad ottenere un unico DataSet contenente tutti i dati raccolti con le features estratte mediante appositi script Python. A ogni record sarà assegnato un cluster deciso in base ai risultati prodotti da K-means, risultati utilizzati in seguito per allenare algoritmi Supervised. Lo scopo degli algoritmi è riconoscere la tipologia di manto stradale partendo da questi dati. Per l’allenamento, il DataSet è stato diviso in due parti: il training set dal quale gli algoritmi imparano a classificare i dati e il test set sul quale gli algoritmi applicano ciò che hanno imparato per dare in output la classificazione che ritengono idonea. Confrontando le previsioni degli algoritmi con quello che i dati effettivamente rappresentano si ottiene la misura dell’accuratezza dell’algoritmo.

Integrating Machine Learning Paradigms for Predictive Maintenance in the Fourth Industrial Revolution era

In the last decade, manufacturing companies have been facing two significant challenges. First, digitalization imposes adopting Industry 4.0 technologies and allows creating smart, connected, self-aware, and self-predictive factories. Second, the attention on sustainability imposes to evaluate and reduce the impact of the implemented solutions from economic and social points of view. In manufacturing companies, the maintenance of physical assets assumes a critical role. Increasing the reliability and the availability of production systems leads to the minimization of systems’ downtimes; In addition, the proper system functioning avoids production wastes and potentially catastrophic accidents. Digitalization and new ICT technologies have assumed a relevant role in maintenance strategies. They allow assessing the health condition of machinery at any point in time. Moreover, they allow predicting the future behavior of machinery so that maintenance interventions can be planned, and the useful life of components can be exploited until the time instant before their fault. This dissertation provides insights on Predictive Maintenance goals and tools in Industry 4.0 and proposes a novel data acquisition, processing, sharing, and storage framework that addresses typical issues machine producers and users encounter. The research elaborates on two research questions that narrow down the potential approaches to data acquisition, processing, and analysis for fault diagnostics in evolving environments. The research activity is developed according to a research framework, where the research questions are addressed by research levers that are explored according to research topics. Each topic requires a specific set of methods and approaches; however, the overarching methodological approach presented in this dissertation includes three fundamental aspects: the maximization of the quality level of input data, the use of Machine Learning methods for data analysis, and the use of case studies deriving from both controlled environments (laboratory) and real-world instances.

Machine learning tools for protein annotation: the cases of transmembrane β-barrel and myristoylated proteins

Biology is now a “Big Data Science” thanks to technological advancements allowing the characterization of the whole macromolecular content of a cell or a collection of cells. This opens interesting perspectives, but only a small portion of this data may be experimentally characterized. From this derives the demand of accurate and efficient computational tools for automatic annotation of biological molecules. This is even more true when dealing with membrane proteins, on which my research project is focused leading to the development of two machine learning-based methods: BetAware-Deep and SVMyr. BetAware-Deep is a tool for the detection and topology prediction of transmembrane beta-barrel proteins found in Gram-negative bacteria. These proteins are involved in many biological processes and primary candidates as drug targets. BetAware-Deep exploits the combination of a deep learning framework (bidirectional long short-term memory) and a probabilistic graphical model (grammatical-restrained hidden conditional random field). Moreover, it introduced a modified formulation of the hydrophobic moment, designed to include the evolutionary information. BetAware-Deep outperformed all the available methods in topology prediction and reported high scores in the detection task. Glycine myristoylation in Eukaryotes is the binding of a myristic acid on an N-terminal glycine. SVMyr is a fast method based on support vector machines designed to predict this modification in dataset of proteomic scale. It uses as input octapeptides and exploits computational scores derived from experimental examples and mean physicochemical features. SVMyr outperformed all the available methods for co-translational myristoylation prediction. In addition, it allows (as a unique feature) the prediction of post-translational myristoylation. Both the tools here described are designed having in mind best practices for the development of machine learning-based tools outlined by the bioinformatics community. Moreover, they are made available via user-friendly web servers. All this make them valuable tools for filling the gap between sequential and annotated data.

Development of advanced methods for the simulation of the reacting mixture formation in internal combustion engines with the use of machine learning algorithms

Besides increasing the share of electric and hybrid vehicles, in order to comply with more stringent environmental protection limitations, in the mid-term the auto industry must improve the efficiency of the internal combustion engine and the well to wheel efficiency of the employed fuel. To achieve this target, a deeper knowledge of the phenomena that influence the mixture formation and the chemical reactions involving new synthetic fuel components is mandatory, but complex and time intensive to perform purely by experimentation. Therefore, numerical simulations play an important role in this development process, but their use can be effective only if they can be considered accurate enough to capture these variations. The most relevant models necessary for the simulation of the reacting mixture formation and successive chemical reactions have been investigated in the present work, with a critical approach, in order to provide instruments to define the most suitable approaches also in the industrial context, which is limited by time constraints and budget evaluations. To overcome these limitations, new methodologies have been developed to conjugate detailed and simplified modelling techniques for the phenomena involving chemical reactions and mixture formation in non-traditional conditions (e.g. water injection, biofuels etc.). Thanks to the large use of machine learning and deep learning algorithms, several applications have been revised or implemented, with the target of reducing the computing time of some traditional tasks by orders of magnitude. Finally, a complete workflow leveraging these new models has been defined and used for evaluating the effects of different surrogate formulations of the same experimental fuel on a proof-of-concept GDI engine model.

A take on complexity: bio-molecules and human metabolism interaction modelling for health and nutrition with machine learning

The advent of omic data production has opened many new perspectives in the quest for modelling complexity in biophysical systems. With the capability of characterizing a complex organism through the patterns of its molecular states, observed at different levels through various omics, a new paradigm of investigation is arising. In this thesis, we investigate the links between perturbations of the human organism, described as the ensemble of crosstalk of its molecular states, and health. Machine learning plays a key role within this picture, both in omic data analysis and model building. We propose and discuss different frameworks developed by the author using machine learning for data reduction, integration, projection on latent features, pattern analysis, classification and clustering of omic data, with a focus on 1H NMR metabolomic spectral data. The aim is to link different levels of omic observations of molecular states, from nanoscale to macroscale, to study perturbations such as diseases and diet interpreted as changes in molecular patterns. The first part of this work focuses on the fingerprinting of diseases, linking cellular and systemic metabolomics with genomic to asses and predict the downstream of perturbations all the way down to the enzymatic network. The second part is a set of frameworks and models, developed with 1H NMR metabolomic at its core, to study the exposure of the human organism to diet and food intake in its full complexity, from epidemiological data analysis to molecular characterization of food structure.