Data Privacy Preservation in Collaborative Filtering Based Recommender Systems

This dissertation studies data privacy preservation in collaborative filtering based recommender systems and proposes several collaborative filtering models that aim at preserving user privacy from different perspectives. The empirical study on multiple classical recommendation algorithms presents the basic idea of the models and explores their performance on real world datasets. The algorithms that are investigated in this study include a popularity based model, an item similarity based model, a singular value decomposition based model, and a bipartite graph model. Top-N recommendations are evaluated to examine the prediction accuracy. It is apparent that with more customers\u27 preference data, recommender systems can better profile customers\u27 shopping patterns which in turn produces product recommendations with higher accuracy. The precautions should be taken to address the privacy issues that arise during data sharing between two vendors. Study shows that matrix factorization techniques are ideal choices for data privacy preservation by their nature. In this dissertation, singular value decomposition (SVD) and nonnegative matrix factorization (NMF) are adopted as the fundamental techniques for collaborative filtering to make privacy-preserving recommendations. The proposed SVD based model utilizes missing value imputation, randomization technique, and the truncated SVD to perturb the raw rating data. The NMF based models, namely iAux-NMF and iCluster-NMF, take into account the auxiliary information of users and items to help missing value imputation and privacy preservation. Additionally, these models support efficient incremental data update as well. A good number of online vendors allow people to leave their feedback on products. It is considered as users\u27 public preferences. However, due to the connections between users\u27 public and private preferences, if a recommender system fails to distinguish real customers from attackers, the private preferences of real customers can be exposed. This dissertation addresses an attack model in which an attacker holds real customers\u27 partial ratings and tries to obtain their private preferences by cheating recommender systems. To resolve this problem, trustworthiness information is incorporated into NMF based collaborative filtering techniques to detect the attackers and make reasonably different recommendations to the normal users and the attackers. By doing so, users\u27 private preferences can be effectively protected

Machine Learning and Integrative Analysis of Biomedical Big Data.

Recent developments in high-throughput technologies have accelerated the accumulation of massive amounts of omics data from multiple sources: genome, epigenome, transcriptome, proteome, metabolome, etc. Traditionally, data from each source (e.g., genome) is analyzed in isolation using statistical and machine learning (ML) methods. Integrative analysis of multi-omics and clinical data is key to new biomedical discoveries and advancements in precision medicine. However, data integration poses new computational challenges as well as exacerbates the ones associated with single-omics studies. Specialized computational approaches are required to effectively and efficiently perform integrative analysis of biomedical data acquired from diverse modalities. In this review, we discuss state-of-the-art ML-based approaches for tackling five specific computational challenges associated with integrative analysis: curse of dimensionality, data heterogeneity, missing data, class imbalance and scalability issues

Mineral identification using data-mining in hyperspectral infrared imagery

Les applications de l’imagerie infrarouge dans le domaine de la géologie sont principalement des applications hyperspectrales. Elles permettent entre autre l’identification minérale, la cartographie, ainsi que l’estimation de la portée. Le plus souvent, ces acquisitions sont réalisées in-situ soit à l’aide de capteurs aéroportés, soit à l’aide de dispositifs portatifs. La découverte de minéraux indicateurs a permis d’améliorer grandement l’exploration minérale. Ceci est en partie dû à l’utilisation d’instruments portatifs. Dans ce contexte le développement de systèmes automatisés permettrait d’augmenter à la fois la qualité de l’exploration et la précision de la détection des indicateurs. C’est dans ce cadre que s’inscrit le travail mené dans ce doctorat. Le sujet consistait en l’utilisation de méthodes d’apprentissage automatique appliquées à l’analyse (au traitement) d’images hyperspectrales prises dans les longueurs d’onde infrarouge. L’objectif recherché étant l’identification de grains minéraux de petites tailles utilisés comme indicateurs minéral -ogiques. Une application potentielle de cette recherche serait le développement d’un outil logiciel d’assistance pour l’analyse des échantillons lors de l’exploration minérale. Les expériences ont été menées en laboratoire dans la gamme relative à l’infrarouge thermique (Long Wave InfraRed, LWIR) de 7.7m à 11.8 m. Ces essais ont permis de proposer une méthode pour calculer l’annulation du continuum. La méthode utilisée lors de ces essais utilise la factorisation matricielle non négative (NMF). En utlisant une factorisation du premier ordre on peut déduire le rayonnement de pénétration, lequel peut ensuite être comparé et analysé par rapport à d’autres méthodes plus communes. L’analyse des résultats spectraux en comparaison avec plusieurs bibliothèques existantes de données a permis de mettre en évidence la suppression du continuum. Les expérience ayant menés à ce résultat ont été conduites en utilisant une plaque Infragold ainsi qu’un objectif macro LWIR. L’identification automatique de grains de différents matériaux tels que la pyrope, l’olivine et le quartz a commencé. Lors d’une phase de comparaison entre des approches supervisées et non supervisées, cette dernière s’est montrée plus approprié en raison du comportement indépendant par rapport à l’étape d’entraînement. Afin de confirmer la qualité de ces résultats quatre expériences ont été menées. Lors d’une première expérience deux algorithmes ont été évalués pour application de regroupements en utilisant l’approche FCC (False Colour Composite). Cet essai a permis d’observer une vitesse de convergence, jusqu’a vingt fois plus rapide, ainsi qu’une efficacité significativement accrue concernant l’identification en comparaison des résultats de la littérature. Cependant des essais effectués sur des données LWIR ont montré un manque de prédiction de la surface du grain lorsque les grains étaient irréguliers avec présence d’agrégats minéraux. La seconde expérience a consisté, en une analyse quantitaive comparative entre deux bases de données de Ground Truth (GT), nommée rigid-GT et observed-GT (rigide-GT: étiquet manuel de la région, observée-GT:étiquetage manuel les pixels). La précision des résultats était 1.5 fois meilleur lorsque l’on a utlisé la base de données observed-GT que rigid-GT. Pour les deux dernières epxérience, des données venant d’un MEB (Microscope Électronique à Balayage) ainsi que d’un microscopie à fluorescence (XRF) ont été ajoutées. Ces données ont permis d’introduire des informations relatives tant aux agrégats minéraux qu’à la surface des grains. Les résultats ont été comparés par des techniques d’identification automatique des minéraux, utilisant ArcGIS. Cette dernière a montré une performance prometteuse quand à l’identification automatique et à aussi été utilisée pour la GT de validation. Dans l’ensemble, les quatre méthodes de cette thèse représentent des méthodologies bénéfiques pour l’identification des minéraux. Ces méthodes présentent l’avantage d’être non-destructives, relativement précises et d’avoir un faible coût en temps calcul ce qui pourrait les qualifier pour être utilisée dans des conditions de laboratoire ou sur le terrain.The geological applications of hyperspectral infrared imagery mainly consist in mineral identification, mapping, airborne or portable instruments, and core logging. Finding the mineral indicators offer considerable benefits in terms of mineralogy and mineral exploration which usually involves application of portable instrument and core logging. Moreover, faster and more mechanized systems development increases the precision of identifying mineral indicators and avoid any possible mis-classification. Therefore, the objective of this thesis was to create a tool to using hyperspectral infrared imagery and process the data through image analysis and machine learning methods to identify small size mineral grains used as mineral indicators. This system would be applied for different circumstances to provide an assistant for geological analysis and mineralogy exploration. The experiments were conducted in laboratory conditions in the long-wave infrared (7.7μm to 11.8μm - LWIR), with a LWIR-macro lens (to improve spatial resolution), an Infragold plate, and a heating source. The process began with a method to calculate the continuum removal. The approach is the application of Non-negative Matrix Factorization (NMF) to extract Rank-1 NMF and estimate the down-welling radiance and then compare it with other conventional methods. The results indicate successful suppression of the continuum from the spectra and enable the spectra to be compared with spectral libraries. Afterwards, to have an automated system, supervised and unsupervised approaches have been tested for identification of pyrope, olivine and quartz grains. The results indicated that the unsupervised approach was more suitable due to independent behavior against training stage. Once these results obtained, two algorithms were tested to create False Color Composites (FCC) applying a clustering approach. The results of this comparison indicate significant computational efficiency (more than 20 times faster) and promising performance for mineral identification. Finally, the reliability of the automated LWIR hyperspectral infrared mineral identification has been tested and the difficulty for identification of the irregular grain’s surface along with the mineral aggregates has been verified. The results were compared to two different Ground Truth(GT) (i.e. rigid-GT and observed-GT) for quantitative calculation. Observed-GT increased the accuracy up to 1.5 times than rigid-GT. The samples were also examined by Micro X-ray Fluorescence (XRF) and Scanning Electron Microscope (SEM) in order to retrieve information for the mineral aggregates and the grain’s surface (biotite, epidote, goethite, diopside, smithsonite, tourmaline, kyanite, scheelite, pyrope, olivine, and quartz). The results of XRF imagery compared with automatic mineral identification techniques, using ArcGIS, and represented a promising performance for automatic identification and have been used for GT validation. In overall, the four methods (i.e. 1.Continuum removal methods; 2. Classification or clustering methods for mineral identification; 3. Two algorithms for clustering of mineral spectra; 4. Reliability verification) in this thesis represent beneficial methodologies to identify minerals. These methods have the advantages to be a non-destructive, relatively accurate and have low computational complexity that might be used to identify and assess mineral grains in the laboratory conditions or in the field

Efficient feature reduction and classification methods

Durch die steigende Anzahl verfügbarer Daten in unterschiedlichsten Anwendungsgebieten nimmt der Aufwand vieler Data-Mining Applikationen signifikant zu. Speziell hochdimensionierte Daten (Daten die über viele verschiedene Attribute beschrieben werden) können ein großes Problem für viele Data-Mining Anwendungen darstellen. Neben höheren Laufzeiten können dadurch sowohl für überwachte (supervised), als auch nicht überwachte (unsupervised) Klassifikationsalgorithmen weitere Komplikationen entstehen (z.B. ungenaue Klassifikationsgenauigkeit, schlechte Clustering-Eigenschaften, …). Dies führt zu einem Bedarf an effektiven und effizienten Methoden zur Dimensionsreduzierung. Feature Selection (die Auswahl eines Subsets von Originalattributen) und Dimensionality Reduction (Transformation von Originalattribute in (Linear)-Kombinationen der Originalattribute) sind zwei wichtige Methoden um die Dimension von Daten zu reduzieren. Obwohl sich in den letzten Jahren vielen Studien mit diesen Methoden beschäftigt haben, gibt es immer noch viele offene Fragestellungen in diesem Forschungsgebiet. Darüber hinaus ergeben sich in vielen Anwendungsbereichen durch die immer weiter steigende Anzahl an verfügbaren und verwendeten Attributen und Features laufend neue Probleme. Das Ziel dieser Dissertation ist es, verschiedene Fragenstellungen in diesem Bereich genau zu analysieren und Verbesserungsmöglichkeiten zu entwickeln. Grundsätzlich, werden folgende Ansprüche an Methoden zur Feature Selection und Dimensionality Reduction gestellt: Die Methoden sollten effizient (bezüglich ihres Rechenaufwandes) sein und die resultierenden Feature-Sets sollten die Originaldaten möglichst kompakt repräsentieren können. Darüber hinaus ist es in vielen Anwendungsgebieten wichtig, die Interpretierbarkeit der Originaldaten beizubehalten. Letztendlich sollte der Prozess der Dimensionsreduzierung keinen negativen Effekt auf die Klassifikationsgenauigkeit haben - sondern idealerweise, diese noch verbessern. Offene Problemstellungen in diesem Bereich betreffen unter anderem den Zusammenhang zwischen Methoden zur Dimensionsreduzierung und der resultierenden Klassifikationsgenauigkeit, wobei sowohl eine möglichst kompakte Repräsentation der Daten, als auch eine hohe Klassifikationsgenauigkeit erzielt werden sollen. Wie bereits erwähnt, ergibt sich durch die große Anzahl an Daten auch ein erhöhter Rechenaufwand, weshalb schnelle und effektive Methoden zur Dimensionsreduzierung entwickelt werden müssen, bzw. existierende Methoden verbessert werden müssen. Darüber hinaus sollte natürlich auch der Rechenaufwand der verwendeten Klassifikationsmethoden möglichst gering sein. Des Weiteren ist die Interpretierbarkeit von Feature Sets zwar möglich, wenn Feature Selection Methoden für die Dimensionsreduzierung verwendet werden, im Fall von Dimensionality Reduction sind die resultierenden Feature Sets jedoch meist Linearkombinationen der Originalfeatures. Daher ist es schwierig zu überprüfen, wie viel Information einzelne Originalfeatures beitragen. Im Rahmen dieser Dissertation konnten wichtige Beiträge zu den oben genannten Problemstellungen präsentiert werden: Es wurden neue, effiziente Initialisierungsvarianten für die Dimensionality Reduction Methode Nonnegative Matrix Factorization (NMF) entwickelt, welche im Vergleich zu randomisierter Initialisierung und im Vergleich zu State-of-the-Art Initialisierungsmethoden zu einer schnelleren Reduktion des Approximationsfehlers führen. Diese Initialisierungsvarianten können darüber hinaus mit neu entwickelten und sehr effektiven Klassifikationsalgorithmen basierend auf NMF kombiniert werden. Um die Laufzeit von NMF weiter zu steigern wurden unterschiedliche Varianten von NMF Algorithmen auf Multi-Prozessor Systemen vorgestellt, welche sowohl Task- als auch Datenparallelismus unterstützen und zu einer erheblichen Reduktion der Laufzeit für NMF führen. Außerdem wurde eine effektive Verbesserung der Matlab Implementierung des ALS Algorithmus vorgestellt. Darüber hinaus wurde eine Technik aus dem Bereich des Information Retrieval -- Latent Semantic Indexing -- erfolgreich als Klassifikationsalgorithmus für Email Daten angewendet. Schließlich wurde eine ausführliche empirische Studie über den Zusammenhang verschiedener Feature Reduction Methoden (Feature Selection und Dimensionality Reduction) und der resultierenden Klassifikationsgenauigkeit unterschiedlicher Lernalgorithmen präsentiert. Der starke Einfluss unterschiedlicher Methoden zur Dimensionsreduzierung auf die resultierende Klassifikationsgenauigkeit unterstreicht dass noch weitere Untersuchungen notwendig sind um das komplexe Zusammenspiel von Dimensionsreduzierung und Klassifikation genau analysieren zu können.The sheer volume of data today and its expected growth over the next years are some of the key challenges in data mining and knowledge discovery applications. Besides the huge number of data samples that are collected and processed, the high dimensional nature of data arising in many applications causes the need to develop effective and efficient techniques that are able to deal with this massive amount of data. In addition to the significant increase in the demand of computational resources, those large datasets might also influence the quality of several data mining applications (especially if the number of features is very high compared to the number of samples). As the dimensionality of data increases, many types of data analysis and classification problems become significantly harder. This can lead to problems for both supervised and unsupervised learning. Dimensionality reduction and feature (subset) selection methods are two types of techniques for reducing the attribute space. While in feature selection a subset of the original attributes is extracted, dimensionality reduction in general produces linear combinations of the original attribute set. In both approaches, the goal is to select a low dimensional subset of the attribute space that covers most of the information of the original data. During the last years, feature selection and dimensionality reduction techniques have become a real prerequisite for data mining applications. There are several open questions in this research field, and due to the often increasing number of candidate features for various application areas (e.\,g., email filtering or drug classification/molecular modeling) new questions arise. In this thesis, we focus on some open research questions in this context, such as the relationship between feature reduction techniques and the resulting classification accuracy and the relationship between the variability captured in the linear combinations of dimensionality reduction techniques (e.\,g., PCA, SVD) and the accuracy of machine learning algorithms operating on them. Another important goal is to better understand new techniques for dimensionality reduction, such as nonnegative matrix factorization (NMF), which can be applied for finding parts-based, linear representations of nonnegative data. This ``sum-of-parts'' representation is especially useful if the interpretability of the original data should be retained. Moreover, performance aspects of feature reduction algorithms are investigated. As data grow, implementations of feature selection and dimensionality reduction techniques for high-performance parallel and distributed computing environments become more and more important. In this thesis, we focus on two types of open research questions: methodological advances without any specific application context, and application-driven advances for a specific application context. Summarizing, new methodological contributions are the following: The utilization of nonnegative matrix factorization in the context of classification methods is investigated. In particular, it is of interest how the improved interpretability of NMF factors due to the non-negativity constraints (which is of central importance in various problem settings) can be exploited. Motivated by this problem context two new fast initialization techniques for NMF based on feature selection are introduced. It is shown how approximation accuracy can be increased and/or how computational effort can be reduced compared to standard randomized seeding of the NMF and to state-of-the-art initialization strategies suggested earlier. For example, for a given number of iterations and a required approximation error a speedup of 3.6 compared to standard initialization, and a speedup of 3.4 compared to state-of-the-art initialization strategies could be achieved. Beyond that, novel classification methods based on the NMF are proposed and investigated. We can show that they are not only competitive in terms of classification accuracy with state-of-the-art classifiers, but also provide important advantages in terms of computational effort (especially for low-rank approximations). Moreover, parallelization and distributed execution of NMF is investigated. Several algorithmic variants for efficiently computing NMF on multi-core systems are studied and compared to each other. In particular, several approaches for exploiting task and/or data-parallelism in NMF are studied. We show that for some scenarios new algorithmic variants clearly outperform existing implementations. Last, but not least, a computationally very efficient adaptation of the implementation of the ALS algorithm in Matlab 2009a is investigated. This variant reduces the runtime significantly (in some settings by a factor of 8) and also provides several possibilities to be executed concurrently. In addition to purely methodological questions, we also address questions arising in the adaptation of feature selection and classification methods to two specific application problems: email classification and in silico screening for drug discovery. Different research challenges arise in the contexts of these different application areas, such as the dynamic nature of data for email classification problems, or the imbalance in the number of available samples of different classes for drug discovery problems. Application-driven advances of this thesis comprise the adaptation and application of latent semantic indexing (LSI) to the task of email filtering. Experimental results show that LSI achieves significantly better classification results than the widespread de-facto standard method for this special application context. In the context of drug discovery problems, several groups of well discriminating descriptors could be identified by utilizing the ``sum-of-parts`` representation of NMF. The number of important descriptors could be further increased when applying sparseness constraints on the NMF factors

Nonconvex Optimization Algorithms for Structured Matrix Estimation in Large-Scale Data Applications

Το πρόβλημα της εκτίμησης δομημένου πίνακα ανήκει στην κατηγορία των προβλημάτων εύρεσης αναπαραστάσεων χαμηλής διάστασης (low-dimensional embeddings) σε δεδομένα υψηλής διάστασης. Στις μέρες μας συναντάται σε μια πληθώρα εφαρμογών που σχετίζονται με τις ερευνητικές περιοχές της επεξεργασίας σήματος και της μηχανικής μάθησης. Στην παρούσα διατριβή προτείνονται νέοι μαθηματικοί φορμαλισμοί σε τρία διαφορετικά προβλήματα εκτίμησης δομημένων πινάκων από δεδομένα μεγάλης κλίμακας. Πιο συγκεκριμένα, μελετώνται τα ερευνητικά προβλήματα α) της εκτίμησης πίνακα που είναι ταυτόχρονα αραιός, χαμηλού βαθμού και μη-αρνητικός, β) της παραγοντοποίησης πίνακα χαμηλού βαθμού, και γ) της ακολουθιακής (online) εκτίμησης πίνακα υποχώρου (subspace matrix) χαμηλού βαθμού από ελλιπή δεδομένα. Για όλα τα προβλήματα αυτά προτείνονται καινoτόμοι και αποδοτικοί αλγόριθμοι βελτιστοποίησης (optimization algorithms). Βασική υπόθεση που υιοθετείται σε κάθε περίπτωση είναι πως τα δεδομένα έχουν παραχθεί με βάση ένα γραμμικό μοντέλο. Το σύνολο των προσεγγίσεων που ακολουθούνται χαρακτηρίζονται από μη-κυρτότητα. Όπως γίνεται φανερό στην παρούσα διατριβή, η ιδιότητα αυτή, παρά τις δυσκολίες που εισάγει στην θεωρητική τεκμηρίωση των προτεινόμενων μεθόδων (σε αντίθεση με τις κυρτές προσεγγίσεις στις οποίες η θεωρητική ανάλυση είναι σχετικά ευκολότερη), οδηγεί σε σημαντικά οφέλη όσον αφορά την απόδοσή τους σε πλήθος πραγματικών εφαρμογών. Για την εκτίμηση πίνακα που είναι ταυτόχρονα αραιός, χαμηλού βαθμού και μη-αρνητικός, προτείνονται στην παρούσα διατριβή τρεις νέοι αλγόριθμοι, από τους οποίους οι δύο πρώτοι ελαχιστοποιούν μια κοινή συνάρτηση κόστους και ο τρίτος μια ελαφρώς διαφορετική συνάρτηση κόστους. Κοινό χαρακτηριστικό και των δύο αυτών συναρτήσεων είναι ότι κατά βάση αποτελούνται από έναν όρο προσαρμογής στα δεδομένα και δύο όρους κανονικοποίησης, οι οποίοι χρησιμοποιούνται για την επιβολή αραιότητας και χαμηλού βαθμού, αντίστοιχα. Στην πρώτη περίπτωση αυτό επιτυγχάνεται με την αξιοποίηση του αθροίσματος της επανασταθμισμένης l1 νόρμας (reweighted l1 norm) και της επανασταθμισμένης πυρηνικής νόρμας (reweighted nuclear norm), οι οποίες ευθύνονται για το μη- κυρτό χαρακτήρα της προκύπτουσας συνάρτησης κόστους. Από τους δύο προτεινόμενους αλγορίθμους που ελαχιστοποιούν τη συνάρτηση αυτή, ο ένας ακολουθεί τη μέθοδο καθόδου σταδιακής εγγύτητας και ο άλλος βασίζεται στην πιο απαιτητική υπολογιστικά μέθοδο ADMM. Η δεύτερη συνάρτηση κόστους διαφοροποιείται σε σχέση με την πρώτη καθώς χρησιμοποιεί μια προσέγγιση παραγοντοποίησης για τη μοντελοποίηση του χαμηλού βαθμού του δομημένου πίνακα. Επιπλέον, λόγω της μη εκ των προτέρων γνώσης του πραγματικού βαθμού, ενσωματώνει έναν όρο επιβολής χαμηλού βαθμού, μέσω της μη- κυρτής έκφρασης που έχει προταθεί ως ένα άνω αυστηρό φράγμα της (κυρτής) πυρηνικής νόρμας (σ.σ. στο εξής θα αναφέρεται ως εναλλακτική μορφή της πυρηνικής νόρμας). Και στην περίπτωση αυτή, το πρόβλημα που προκύπτει είναι μη-κυρτό λόγω του φορμαλισμού του μέσω της παραγοντοποίησης πίνακα, ενώ η βελτιστοποίηση πραγματοποιείται εφαρμόζοντας μια υπολογιστικά αποδοτική μέθοδο καθόδου συνιστωσών ανά μπλοκ (block coordinate descent). Tο σύνολο των προτεινόμενων σχημάτων χρησιμοποιείται για τη μοντελοποίηση, με καινοτόμο τρόπο, του προβλήματος φασματικού διαχωρισμού υπερφασματικών εικόνων (ΥΦΕ). Όπως εξηγείται αναλυτικά, τόσο η αραιότητα όσο και ο χαμηλός βαθμός παρέχουν πολύτιμες ερμηνείες ορισμένων φυσικών χαρακτηριστικών των ΥΦΕ, όπως π.χ. η χωρική συσχέτιση. Πιο συγκεκριμένα, η αραιότητα και ο χαμηλός βαθμός μπορούν να υιοθετηθούν ως δομές στον πίνακα αφθονίας (abundance matrix - ο πίνακας που περιέχει τα ποσοστά παρουσίας των υλικών στην περιοχή που απεικονίζει κάθε εικονοστοιχείο). Τα σημαντικά πλεονεκτήματα που προσφέρουν οι προτεινόμενες τεχνικές, σε σχέση με ανταγωνιστικούς αλγορίθμους, αναδεικνύονται σε ένα πλήθος διαφορετικών πειραμάτων που πραγματοποιούνται τόσο σε συνθετικά όσο και σε αληθινά υπερφασματικά δεδομένα. Στο πλαίσιο της παραγοντοποίησης πίνακα χαμηλού βαθμού (low-rank matrix factorization) περιγράφονται στη διατριβή τέσσερις νέοι αλγόριθμοι, ο καθένας εκ των οποίων έχει σχεδιαστεί για μια διαφορετική έκφανση του συγκεκριμένου προβλήματος. Όλα τα προτεινόμενα σχήματα έχουν ένα κοινό χαρακτηριστικό: επιβάλλουν χαμηλό βαθμό στους πίνακες-παράγοντες καθώς και στο γινόμενό τους με την εισαγωγή ενός νέου όρου κανονικοποίησης. Ο όρος αυτός προκύπτει ως μια γενίκευση της εναλλακτικής έκφρασης της πυρηνικής νόρμας με τη μετατροπή της σε σταθμισμένη μορφή. Αξίζει να επισημανθεί πως με κατάλληλη επιλογή των πινάκων στάθμισης καταλήγουμε σε μια ειδική έκφραση της συγκεκριμένης νόρμας η οποία ανάγει την διαδικασία επιβολής χαμηλού βαθμού σε αυτή της από κοινού επιβολής αραιότητας στις στήλες των δύο πινάκων. Όπως αναδεικνύεται αναλυτικά, η ιδιότητα αυτή είναι πολύ χρήσιμη ιδιαιτέρως σε εφαρμογές διαχείρισης δεδομένων μεγάλης κλίμακας. Στα πλαίσια αυτά μελετώνται τρία πολύ σημαντικά προβλήματα στο πεδίο της μηχανικής μάθησης και συγκεκριμένα αυτά της αποθορυβοποίησης σήματος (denoising), πλήρωσης πίνακα (matrix completion) και παραγοντοποίησης μη-αρνητικού πίνακα (nonnegative matrix factorization). Χρησιμοποιώντας τη μέθοδο ελαχιστοποίησης άνω φραγμάτων συναρτήσεων διαδοχικών μπλοκ (block successive upper bound minimization) αναπτύσσονται τρεις νέοι επαναληπτικά σταθμισμένοι αλγόριθμοι τύπου Newton, οι οποίοι σχεδιάζονται κατάλληλα, λαμβάνοντας υπόψη τα ιδιαίτερα χαρακτηριστικά του εκάστοτε προβλήματος. Τέλος, παρουσιάζεται αλγόριθμος παραγοντοποίησης πίνακα ο οποίος έχει σχεδιαστεί πάνω στην προαναφερθείσα ιδέα επιβολής χαμηλού βαθμού, υποθέτοντας παράλληλα αραιότητα στον ένα πίνακα-παράγοντα. Η επαλήθευση της αποδοτικότητας όλων των αλγορίθμων που εισάγονται γίνεται με την εφαρμογή τους σε εκτεταμένα συνθετικά πειράματα, όπως επίσης και σε εφαρμογές πραγματικών δεδομένων μεγάλης κλίμακας π.χ. αποθορυβοποίηση ΥΦΕ, πλήρωση πινάκων από συστήματα συστάσεων (recommender systems) ταινιών, διαχωρισμός μουσικού σήματος και τέλος μη-επιβλεπόμενος φασματικός διαχωρισμός. Το τελευταίο πρόβλημα το οποίο διαπραγματεύεται η παρούσα διατριβή είναι αυτό της ακολουθιακής εκμάθησης υποχώρου χαμηλού βαθμού και της πλήρωσης πίνακα. Το πρόβλημα αυτό εδράζεται σε ένα διαφορετικό πλαίσιο μάθησης, την επονομαζόμενη ακολουθιακή μάθηση, η οποία αποτελεί μια πολύτιμη προσέγγιση σε εφαρμογές δεδομένων μεγάλης κλίμακας, αλλά και σε εφαρμογές που λαμβάνουν χώρα σε χρονικά μεταβαλλόμενα περιβάλλοντα. Στην παρούσα διατριβή προτείνονται δύο διαφορετικοί αλγόριθμοι, ένας μπεϋζιανός και ένας ντετερμινιστικός. Ο πρώτος αλγόριθμος προκύπτει από την εφαρμογή μιας καινοτόμου ακολουθιακής μεθόδου συμπερασμού βασισμένου σε μεταβολές. Αυτή η μέθοδος χρησιμοποιείται για την πραγματοποίηση προσεγγιστικού συμπερασμού στο προτεινόμενο ιεραρχικό μπεϋζιανό μοντέλο. Αξίζει να σημειωθεί πως το μοντέλο αυτό έχει σχεδιαστεί με κατάλληλο τρόπο έτσι ώστε να ενσωματώνει, σε πιθανοτικό πλαίσιο, την ίδια ιδέα επιβολής χαμηλού βαθμού που προτείνεται για το πρόβλημα παραγοντοποίησης πίνακα χαμηλού βαθμού, δηλαδή επιβάλλοντας από-κοινού αραιότητα στους πίνακες-παράγοντες. Ωστόσο, ακολουθώντας την πιθανοτική προσέγγιση, αυτό πραγματοποιείται επιβάλλοντας πολύ-επίπεδες a priori κατανομές Laplace στις στήλες τους. Ο αλγόριθμος που προκύπτει είναι πλήρως αυτοματοποιημένος, μιας και δεν απαιτεί τη ρύθμιση κάποιας παραμέτρου κανονικοποίησης. Ο δεύτερος αλγόριθμος προκύπτει από την ελαχιστοποίηση μιας κατάλληλα διαμορφωμένης συνάρτησης κόστους. Και στην περίπτωση αυτή, χρησιμοποιείται η προαναφερθείσα ιδέα επιβολής χαμηλού βαθμού (κατάλληλα τροποποιημένη έτσι ώστε να μπορεί να εφαρμοστεί στο ακολουθιακό πλαίσιο μάθησης). Ενδιαφέρον παρουσιάζει το γεγονός πως ο τελευταίος αλγόριθμος μπορεί να θεωρηθεί ως μια ντετερμινιστική εκδοχή του προαναφερθέντος πιθανοτικού αλγορίθμου. Τέλος, σημαντικό χαρακτηριστικό και των δύο αλγορίθμων είναι ότι δεν είναι απαραίτητη η εκ των προτέρων γνώση του βαθμού του πίνακα υποχώρου. Τα πλεονεκτήματα των προτεινόμενων προσεγγίσεων παρουσιάζονται σε ένα μεγάλο εύρος πειραμάτων που πραγματοποιήθηκαν σε συνθετικά δεδομένα, στο πρόβλημα της ακολουθιακής πλήρωσης ΥΦΕ και στην εκμάθηση ιδιο-προσώπων κάνοντας χρήση πραγματικών δεδομένων.Structured matrix estimation belongs to the family of learning tasks whose main goal is to reveal low-dimensional embeddings of high-dimensional data. Nowadays, this task appears in various forms in a plethora of signal processing and machine learning applications. In the present thesis, novel mathematical formulations for three different instances of structured matrix estimation are proposed. Concretely, the problems of a) simultaneously sparse, low-rank and nonnegative matrix estimation, b) low-rank matrix factorization and c) online low-rank subspace learning and matrix completion, are addressed and analyzed. In all cases, it is assumed that data are generated by a linear process, i.e., we deal with linear measurements. A suite of novel and efficient {\it optimization algorithms} amenable to handling {\it large-scale data} are presented. A key common feature of all the introduced schemes is {\it nonconvexity}. It should be noted that albeit nonconvexity complicates the derivation of theoretical guarantees (contrary to convex relevant approaches, which - in most cases - can be theoretically analyzed relatively easily), significant gains in terms of the estimation performance of the emerging algorithms have been recently witnessed in several real practical situations. Let us first focus on simultaneously sparse, low-rank and nonnegative matrix estimation from linear measurements. In the thesis this problem is resolved by three different optimization algorithms, which address two different and novel formulations of the relevant task. All the proposed schemes are suitably devised for minimizing a cost function consisting of a least-squares data fitting term and two regularization terms. The latter are utilized for promoting sparsity and low-rankness. The novelty of the first formulation lies in the use, for the first time in the literature, of the sum of the reweighted $\ell_1$ and the reweighted nuclear norms. The merits of reweighted $\ell_1$ and nuclear norms have been exposed in numerous sparse and low-rank matrix recovery problems. As is known, albeit these two norms induce nonconvexity in the resulting optimization problems, they provide a better approximation of the $\ell_0$ norm and the rank function, respectively, as compared to relevant convex regularizers. Herein, we aspire to benefit from the use of the combination of these two norms. The first algorithm is an incremental proximal minimization scheme, while the second one is an ADMM solver. The third algorithm's main goal is to further reduce the computational complexity. Towards this end, it deviates from the other two in the use of a matrix factorization based approach for modelling low-rankness. Since the rank of the sought matrix is generally unknown, a low-rank imposing term, i.e., the variational form of the nuclear norm, which is a function of the matrix factors, is utilized. In this case, the optimization process takes place via a block coordinate descent type scheme. The proposed formulations are utilized for modelling in a pioneering way a very important problem in hyperspectral image processing, that of hyperspectral image unmixing. It is shown that both sparsity and low-rank offer meaningful interpretations of inherent natural characteristics of hyperspectral images. More specifically, both sparsity and low-rankness are reasonable hypotheses that can be made for the so-called {\it abundance} matrix, i.e., the nonnegative matrix containing the fractions of presence of the different materials, called {\it endmembers}, at the region depicted by each pixel. The merits of the proposed algorithms over other state-of-the-art hyperspectral unmixing algorithms are corroborated in a wealth of simulated and real hyperspectral imaging data experiments. In the framework of low-rank matrix factorization (LRMF) four novel optimization algorithms are presented, each modelling a different instance of it. All the proposed schemes share a common thread: they impose low-rank on both matrix factors and the sought matrix by a newly introduced regularization term. This term can be considered as a generalized weighted version of the variational form of the nuclear norm. Notably, by appropriately selecting the weight matrix, low-rank enforcement amounts to imposing joint column sparsity on both matrix factors. This property is actually proven to be quite important in applications dealing with large-scale data, since it leads to a significant decrease of the induced computational complexity. Along these lines, three well-known machine learning tasks, namely, denoising, matrix completion and low-rank nonnegative matrix factorization (NMF), are redefined according to the new low-rank regularization approach. Then, following the block successive upper bound minimization framework, alternating iteratively reweighted least-squares, Newton-type algorithms are devised accounting for the particular characteristics of the problem that each time is addressed. Lastly, an additional low-rank and sparse NMF algorithm is proposed, which hinges upon the same low-rank promoting idea mentioned above, while also accounting for sparsity on one of the matrix factors. All the derived algorithms are tested on extensive simulated data experiments and real large-scale data applications such as hyperspectral image denoising, matrix completion for recommender systems, music signal decomposition and unsupervised hyperspectral image unmixing with unknown number of endmembers. The last problem that this thesis touches upon is online low-rank subspace learning and matrix completion. This task follows a different learning model, i.e., online learning, which offers a valuable processing framework when one deals with large-scale streaming data possibly under time-varying conditions. In the thesis, two different online algorithms are put forth. The first one stems from a newly developed online variational Bayes scheme. This is applied for performing approximate inference based on a carefully designed novel multi-hierarchical Bayesian model. Notably, the adopted model encompasses similar low-rank promoting ideas to those mentioned for LRMF. That is, low-rank is imposed via promoting jointly column sparsity on the columns of the matrix factors. However, following the Bayesian rationale, this now takes place by assigning Laplace-type marginal priors on the matrix factors. Going one step further, additional sparsity is independently modelled on the subspace matrix thus imposing multiple structures on the same matrix. The resulting algorithm is fully automated, i.e., it does not demand fine-tuning of any parameters. The second algorithm follows a cost function minimization based strategy. Again, the same low-rank promoting idea introduced for LRMF is incorporated in this problem via the use of a - modified to the online processing scenario - low-rank regularization term. Interestingly, the resulting optimization scheme can be considered as the deterministic analogue of the Bayesian one. Both the proposed algorithms present a favorable feature, i.e., they are competent to learn subspaces without requiring the a priori knowledge of their true rank. Their effectiveness is showcased in extensive simulated data experiments and in online hyperspectral image completion and eigenface learning using real data

Single atom imaging with time-resolved electron microscopy

Developments in scanning transmission electron microscopy (STEM) have opened up new possibilities for time-resolved imaging at the atomic scale. However, rapid imaging of single atom dynamics brings with it a new set of challenges, particularly regarding noise and the interaction between the electron beam and the specimen. This thesis develops a set of analytical tools for capturing atomic motion and analyzing the dynamic behaviour of materials at the atomic scale. Machine learning is increasingly playing an important role in the analysis of electron microscopy data. In this light, new unsupervised learning tools are developed here for noise removal under low-dose imaging conditions and for identifying the motion of surface atoms. The scope for real-time processing and analysis is also explored, which is of rising importance as electron microscopy datasets grow in size and complexity. These advances in image processing and analysis are combined with computational modelling to uncover new chemical and physical insights into the motion of atoms adsorbed onto surfaces. Of particular interest are systems for heterogeneous catalysis, where the catalytic activity can depend intimately on the atomic environment. The study of Cu atoms on a graphene oxide support reveals that the atoms undergo anomalous diffusion as a result of spatial and energetic disorder present in the substrate. The investigation is extended to examine the structure and stability of small Cu clusters on graphene oxide, with atomistic modelling used to understand the significant role played by the substrate. Finally, the analytical methods are used to study the surface reconstruction of silicon alongside the electron beam-induced motion of adatoms on the surface. Taken together, these studies demonstrate the materials insights that can be obtained with time-resolved STEM imaging, and highlight the importance of combining state-ofthe- art imaging with computational analysis and atomistic modelling to quantitatively characterize the behaviour of materials with atomic resolution.The research leading to these results has received funding from the European Research Council under the European Union's Seventh Framework Programme (FP7/2007–2013)/ERC grant agreement 291522–3DIMAGE, as well as from the European Union Seventh Framework Programme under Grant Agreement 312483-ESTEEM2 (Integrated Infrastructure Initiative -I3)

Advances in Public Transport Platform for the Development of Sustainability Cities

Modern societies demand high and varied mobility, which in turn requires a complex transport system adapted to social needs that guarantees the movement of people and goods in an economically efficient and safe way, but all are subject to a new environmental rationality and the new logic of the paradigm of sustainability. From this perspective, an efficient and flexible transport system that provides intelligent and sustainable mobility patterns is essential to our economy and our quality of life. The current transport system poses growing and significant challenges for the environment, human health, and sustainability, while current mobility schemes have focused much more on the private vehicle that has conditioned both the lifestyles of citizens and cities, as well as urban and territorial sustainability. Transport has a very considerable weight in the framework of sustainable development due to environmental pressures, associated social and economic effects, and interrelations with other sectors. The continuous growth that this sector has experienced over the last few years and its foreseeable increase, even considering the change in trends due to the current situation of generalized crisis, make the challenge of sustainable transport a strategic priority at local, national, European, and global levels. This Special Issue will pay attention to all those research approaches focused on the relationship between evolution in the area of transport with a high incidence in the environment from the perspective of efficiency

Graph-based, systems approach for detecting violent extremist radicalization trajectories and other latent behaviors, A

2017 Summer.Includes bibliographical references.The number and lethality of violent extremist plots motivated by the Salafi-jihadist ideology have been growing for nearly the last decade in both the U.S and Western Europe. While detecting the radicalization of violent extremists is a key component in preventing future terrorist attacks, it remains a significant challenge to law enforcement due to the issues of both scale and dynamics. Recent terrorist attack successes highlight the real possibility of missed signals from, or continued radicalization by, individuals whom the authorities had formerly investigated and even interviewed. Additionally, beyond considering just the behavioral dynamics of a person of interest is the need for investigators to consider the behaviors and activities of social ties vis-à-vis the person of interest. We undertake a fundamentally systems approach in addressing these challenges by investigating the need and feasibility of a radicalization detection system, a risk assessment assistance technology for law enforcement and intelligence agencies. The proposed system first mines public data and government databases for individuals who exhibit risk indicators for extremist violence, and then enables law enforcement to monitor those individuals at the scope and scale that is lawful, and account for the dynamic indicative behaviors of the individuals and their associates rigorously and automatically. In this thesis, we first identify the operational deficiencies of current law enforcement and intelligence agency efforts, investigate the environmental conditions and stakeholders most salient to the development and operation of the proposed system, and address both programmatic and technical risks with several initial mitigating strategies. We codify this large effort into a radicalization detection system framework. The main thrust of this effort is the investigation of the technological opportunities for the identification of individuals matching a radicalization pattern of behaviors in the proposed radicalization detection system. We frame our technical approach as a unique dynamic graph pattern matching problem, and develop a technology called INSiGHT (Investigative Search for Graph Trajectories) to help identify individuals or small groups with conforming subgraphs to a radicalization query pattern, and follow the match trajectories over time. INSiGHT is aimed at assisting law enforcement and intelligence agencies in monitoring and screening for those individuals whose behaviors indicate a significant risk for violence, and allow for the better prioritization of limited investigative resources. We demonstrated the performance of INSiGHT on a variety of datasets, to include small synthetic radicalization-specific data sets, a real behavioral dataset of time-stamped radicalization indicators of recent U.S. violent extremists, and a large, real-world BlogCatalog dataset serving as a proxy for the type of intelligence or law enforcement data networks that could be utilized to track the radicalization of violent extremists. We also extended INSiGHT by developing a non-combinatorial neighbor matching technique to enable analysts to maintain visibility of potential collective threats and conspiracies and account for the role close social ties have in an individual's radicalization. This enhancement was validated on small, synthetic radicalization-specific datasets as well as the large BlogCatalog dataset with real social network connections and tagging behaviors for over 80K accounts. The results showed that our algorithm returned whole and partial subgraph matches that enabled analysts to gain and maintain visibility on neighbors' activities. Overall, INSiGHT led to consistent, informed, and reliable assessments about those who pose a significant risk for some latent behavior in a variety of settings. Based upon these results, we maintain that INSiGHT is a feasible and useful supporting technology with the potential to optimize law enforcement investigative efforts and ultimately enable the prevention of individuals from carrying out extremist violence. Although the prime motivation of this research is the detection of violent extremist radicalization, we found that INSiGHT is applicable in detecting latent behaviors in other domains such as on-line student assessment and consumer analytics. This utility was demonstrated through experiments with real data. For on-line student assessment, we tested INSiGHT on a MOOC dataset of students and time-stamped on-line course activities to predict those students who persisted in the course. For consumer analytics, we tested the performance on a real, large proprietary consumer activities dataset from a home improvement retailer. Lastly, motivated by the desire to validate INSiGHT as a screening technology when ground truth is known, we developed a synthetic data generator of large population, time-stamped, individual-level consumer activities data consistent with an a priori project set designation (latent behavior). This contribution also sets the stage for future work in developing an analogous synthetic data generator for radicalization indicators to serve as a testbed for INSiGHT and other data mining algorithms

Atomic-scale and three-dimensional transmission electron microscopy of nanoparticle morphology

The burgeoning field of nanotechnology motivates comprehensive elucidation of nanoscale materials. This thesis addresses transmission electron microscope characterisation of nanoparticle morphology, concerning specifically the crystal- lographic status of novel intermetallic GaPd2 nanocatalysts and advancement of electron tomographic methods for high-fidelity three-dimensional analysis. Going beyond preceding analyses, high-resolution annular dark-field imaging is used to verify successful nano-sizing of the intermetallic compound GaPd2. It also reveals catalytically significant and crystallographically intriguing deviations from the bulk crystal structure. So-called ‘non-crystallographic’ five-fold twinned nanoparticles are observed, adding a new perspective in the long standing debate over how such morphologies may be achieved. The morphological complexity of the GaPd2 nanocatalysts, and many cognate nanoparticle systems, demands fully three-dimensional analysis. It is illustrated how image processing techniques applied to electron tomography reconstructions can facilitate more facile and objective quantitative analysis (‘nano-metrology’). However, the fidelity of the analysis is limited ultimately by artefacts in the tomographic reconstruction. Compressed sensing, a new sampling theory, asserts that many signals can be recovered from far fewer measurements than traditional theories dictate are necessary. Compressed sensing is applied here to electron tomographic reconstruction, and is shown to yield far higher fidelity reconstructions than conventional algorithms. Reconstruction from extremely limited data, more robust quantitative analysis and novel three-dimensional imaging are demon- strated, including the first three-dimensional imaging of localised surface plasmon resonances. Many aspects of transmission electron microscopy characterisation may be enhanced using a compressed sensing approach