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.

A machine learning approach for recognising woody plants on railway trackbeds

The purpose of this work in progress study was to test the concept of recognising plants using images acquired by image sensors in a controlled noise-free environment. The presence of vegetation on railway trackbeds and embankments presents potential problems. Woody plants (e.g. Scots pine, Norway spruce and birch) often establish themselves on railway trackbeds. This may cause problems because legal herbicides are not effective in controlling them; this is particularly the case for conifers. Thus, if maintenance administrators knew the spatial position of plants along the railway system, it may be feasible to mechanically harvest them. Primary data were collected outdoors comprising around 700 leaves and conifer seedlings from 11 species. These were then photographed in a laboratory environment. In order to classify the species in the acquired image set, a machine learning approach known as Bag-of-Features (BoF) was chosen. Irrespective of the chosen type of feature extraction and classifier, the ability to classify a previously unseen plant correctly was greater than 85%. The maintenance planning of vegetation control could be improved if plants were recognised and localised. It may be feasible to mechanically harvest them (in particular, woody plants). In addition, listed endangered species growing on the trackbeds can be avoided. Both cases are likely to reduce the amount of herbicides, which often is in the interest of public opinion. Bearing in mind that natural objects like plants are often more heterogeneous within their own class rather than outside it, the results do indeed present a stable classification performance, which is a sound prerequisite in order to later take the next step to include a natural background. Where relevant, species can also be listed under the Endangered Species Act.

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

Analysis and Evaluation of Tiny Machine Learning applications

The aim of TinyML is to bring the capability of Machine Learning to ultra-low-power devices, typically under a milliwatt, and with this it breaks the traditional power barrier that prevents the widely distributed machine intelligence. TinyML allows greater reactivity and privacy by conducting inference on the computer and near-sensor while avoiding the energy cost associated with wireless communication, which is far higher at this scale than that of computing. In addition, TinyML’s efficiency makes a class of smart, battery-powered, always-on applications that can revolutionize the collection and processing of data in real time. This emerging field, which is the end of a lot of innovation, is ready to speed up its growth in the coming years. In this thesis, we deploy three model on a microcontroller. For the model, datasets are retrieved from an online repository and are preprocessed as per our requirement. The model is then trained on the split of preprocessed data at its best to get the most accuracy out of it. Later the trained model is converted to C language to make it possible to deploy on the microcontroller. Finally, we take step towards incorporating the model into the microcontroller by implementing and evaluating an interface for the user to utilize the microcontroller’s sensors. In our thesis, we will have 4 chapters. The first will give us an introduction of TinyML. The second chapter will help setup the TinyML Environment. The third chapter will be about a major use of TinyML in Wake Word Detection. The final chapter will deal with Gesture Recognition in TinyML.

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.

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.

A machine learning based method to detect genomic imbalances exploiting X chromosome exome reads

Whole Exome Sequencing (WES) is rapidly becoming the first-tier test in clinics, both thanks to its declining costs and the development of new platforms that help clinicians in the analysis and interpretation of SNV and InDels. However, we still know very little on how CNV detection could increase WES diagnostic yield. A plethora of exome CNV callers have been published over the years, all showing good performances towards specific CNV classes and sizes, suggesting that the combination of multiple tools is needed to obtain an overall good detection performance. Here we present TrainX, a ML-based method for calling heterozygous CNVs in WES data using EXCAVATOR2 Normalized Read Counts. We select males and females’ non pseudo-autosomal chromosome X alignments to construct our dataset and train our model, make predictions on autosomes target regions and use HMM to call CNVs. We compared TrainX against a set of CNV tools differing for the detection method (GATK4 gCNV, ExomeDepth, DECoN, CNVkit and EXCAVATOR2) and found that our algorithm outperformed them in terms of stability, as we identified both deletions and duplications with good scores (0.87 and 0.82 F1-scores respectively) and for sizes reaching the minimum resolution of 2 target regions. We also evaluated the method robustness using a set of WES and SNP array data (n=251), part of the Italian cohort of Epi25 collaborative, and were able to retrieve all clinical CNVs previously identified by the SNP array. TrainX showed good accuracy in detecting heterozygous CNVs of different sizes, making it a promising tool to use in a diagnostic setting.

Applying machine learning: a multi-role perspective

Machine (and deep) learning technologies are more and more present in several fields. It is undeniable that many aspects of our society are empowered by such technologies: web searches, content filtering on social networks, recommendations on e-commerce websites, mobile applications, etc., in addition to academic research. Moreover, mobile devices and internet sites, e.g., social networks, support the collection and sharing of information in real time. The pervasive deployment of the aforementioned technological instruments, both hardware and software, has led to the production of huge amounts of data. Such data has become more and more unmanageable, posing challenges to conventional computing platforms, and paving the way to the development and widespread use of the machine and deep learning. Nevertheless, machine learning is not only a technology. Given a task, machine learning is a way of proceeding (a way of thinking), and as such can be approached from different perspectives (points of view). This, in particular, will be the focus of this research. The entire work concentrates on machine learning, starting from different sources of data, e.g., signals and images, applied to different domains, e.g., Sport Science and Social History, and analyzed from different perspectives: from a non-data scientist point of view through tools and platforms; setting a problem stage from scratch; implementing an effective application for classification tasks; improving user interface experience through Data Visualization and eXtended Reality. In essence, not only in a quantitative task, not only in a scientific environment, and not only from a data-scientist perspective, machine (and deep) learning can do the difference.

Development of machine learning methods for multi-modal biomarkers detection and integration

In medicine, innovation depends on a better knowledge of the human body mechanism, which represents a complex system of multi-scale constituents. Unraveling the complexity underneath diseases proves to be challenging. A deep understanding of the inner workings comes with dealing with many heterogeneous information. Exploring the molecular status and the organization of genes, proteins, metabolites provides insights on what is driving a disease, from aggressiveness to curability. Molecular constituents, however, are only the building blocks of the human body and cannot currently tell the whole story of diseases. This is why nowadays attention is growing towards the contemporary exploitation of multi-scale information. Holistic methods are then drawing interest to address the problem of integrating heterogeneous data. The heterogeneity may derive from the diversity across data types and from the diversity within diseases. Here, four studies conducted data integration using customly designed workflows that implement novel methods and views to tackle the heterogeneous characterization of diseases. The first study devoted to determine shared gene regulatory signatures for onco-hematology and it showed partial co-regulation across blood-related diseases. The second study focused on Acute Myeloid Leukemia and refined the unsupervised integration of genomic alterations, which turned out to better resemble clinical practice. In the third study, network integration for artherosclerosis demonstrated, as a proof of concept, the impact of network intelligibility when it comes to model heterogeneous data, which showed to accelerate the identification of new potential pharmaceutical targets. Lastly, the fourth study introduced a new method to integrate multiple data types in a unique latent heterogeneous-representation that facilitated the selection of important data types to predict the tumour stage of invasive ductal carcinoma. The results of these four studies laid the groundwork to ease the detection of new biomarkers ultimately beneficial to medical practice and to the ever-growing field of Personalized Medicine.

Data surveillance for infectious diseases: models, complex networks and machine learning

In this thesis, we investigate the role of applied physics in epidemiological surveillance through the application of mathematical models, network science and machine learning. The spread of a communicable disease depends on many biological, social, and health factors. The large masses of data available make it possible, on the one hand, to monitor the evolution and spread of pathogenic organisms; on the other hand, to study the behavior of people, their opinions and habits. Presented here are three lines of research in which an attempt was made to solve real epidemiological problems through data analysis and the use of statistical and mathematical models. In Chapter 1, we applied language-inspired Deep Learning models to transform influenza protein sequences into vectors encoding their information content. We then attempted to reconstruct the antigenic properties of different viral strains using regression models and to identify the mutations responsible for vaccine escape. In Chapter 2, we constructed a compartmental model to describe the spread of a bacterium within a hospital ward. The model was informed and validated on time series of clinical measurements, and a sensitivity analysis was used to assess the impact of different control measures. Finally (Chapter 3) we reconstructed the network of retweets among COVID-19 themed Twitter users in the early months of the SARS-CoV-2 pandemic. By means of community detection algorithms and centrality measures, we characterized users’ attention shifts in the network, showing that scientific communities, initially the most retweeted, lost influence over time to national political communities. In the Conclusion, we highlighted the importance of the work done in light of the main contemporary challenges for epidemiological surveillance. In particular, we present reflections on the importance of nowcasting and forecasting, the relationship between data and scientific research, and the need to unite the different scales of epidemiological surveillance.

Developing a radiomic based machine learning model to identify patients with resected non-small-cell lung cancer at high risk of relapse

Background There is a wide variation of recurrence risk of Non-small-cell lung cancer (NSCLC) within the same Tumor Node Metastasis (TNM) stage, suggesting that other parameters are involved in determining this probability. Radiomics allows extraction of quantitative information from images that can be used for clinical purposes. The primary objective of this study is to develop a radiomic prognostic model that predicts a 3 year disease free-survival (DFS) of resected Early Stage (ES) NSCLC patients. Material and Methods 56 pre-surgery non contrast Computed Tomography (CT) scans were retrieved from the PACS of our institution and anonymized. Then they were automatically segmented with an open access deep learning pipeline and reviewed by an experienced radiologist to obtain 3D masks of the NSCLC. Images and masks underwent to resampling normalization and discretization. From the masks hundreds Radiomic Features (RF) were extracted using Py-Radiomics. Hence, RF were reduced to select the most representative features. The remaining RF were used in combination with Clinical parameters to build a DFS prediction model using Leave-one-out cross-validation (LOOCV) with Random Forest. Results and Conclusion A poor agreement between the radiologist and the automatic segmentation algorithm (DICE score of 0.37) was found. Therefore, another experienced radiologist manually segmented the lesions and only stable and reproducible RF were kept. 50 RF demonstrated a high correlation with the DFS but only one was confirmed when clinicopathological covariates were added: Busyness a Neighbouring Gray Tone Difference Matrix (HR 9.610). 16 clinical variables (which comprised TNM) were used to build the LOOCV model demonstrating a higher Area Under the Curve (AUC) when RF were included in the analysis (0.67 vs 0.60) but the difference was not statistically significant (p=0,5147).