Network assimilation methodology and sectorization of water distribution systems by graph mining and optimization algorithm

Water Distribution Networks (WDNs) play a vital importance rule in communities, ensuring well-being band supporting economic growth and productivity. The need for greater investment requires design choices will impact on the efficiency of management in the coming decades. This thesis proposes an algorithmic approach to address two related problems:(i) identify the fundamental asset of large WDNs in terms of main infrastructure;(ii) sectorize large WDNs into isolated sectors in order to respect the minimum service to be guaranteed to users. Two methodologies have been developed to meet these objectives and subsequently they were integrated to guarantee an overall process which allows to optimize the sectorized configuration of WDN taking into account the needs to integrated in a global vision the two problems (i) and (ii). With regards to the problem (i), the methodology developed introduces the concept of primary network to give an answer with a dual approach, of connecting main nodes of WDN in terms of hydraulic infrastructures (reservoirs, tanks, pumps stations) and identifying hypothetical paths with the minimal energy losses. This primary network thus identified can be used as an initial basis to design the sectors. The sectorization problem (ii) has been faced using optimization techniques by the development of a new dedicated Tabu Search algorithm able to deal with real case studies of WDNs. For this reason, three new large WDNs models have been developed in order to test the capabilities of the algorithm on different and complex real cases. The developed methodology also allows to automatically identify the deficient parts of the primary network and dynamically includes new edges in order to support a sectorized configuration of the WDN. The application of the overall algorithm to the new real case studies and to others from literature has given applicable solutions even in specific complex situations.

Learning representations for graph-structured socio-technical systems

The recent widespread use of social media platforms and web services has led to a vast amount of behavioral data that can be used to model socio-technical systems. A significant part of this data can be represented as graphs or networks, which have become the prevalent mathematical framework for studying the structure and the dynamics of complex interacting systems. However, analyzing and understanding these data presents new challenges due to their increasing complexity and diversity. For instance, the characterization of real-world networks includes the need of accounting for their temporal dimension, together with incorporating higher-order interactions beyond the traditional pairwise formalism. The ongoing growth of AI has led to the integration of traditional graph mining techniques with representation learning and low-dimensional embeddings of networks to address current challenges. These methods capture the underlying similarities and geometry of graph-shaped data, generating latent representations that enable the resolution of various tasks, such as link prediction, node classification, and graph clustering. As these techniques gain popularity, there is even a growing concern about their responsible use. In particular, there has been an increased emphasis on addressing the limitations of interpretability in graph representation learning. This thesis contributes to the advancement of knowledge in the field of graph representation learning and has potential applications in a wide range of complex systems domains. We initially focus on forecasting problems related to face-to-face contact networks with time-varying graph embeddings. Then, we study hyperedge prediction and reconstruction with simplicial complex embeddings. Finally, we analyze the problem of interpreting latent dimensions in node embeddings for graphs. The proposed models are extensively evaluated in multiple experimental settings and the results demonstrate their effectiveness and reliability, achieving state-of-the-art performances and providing valuable insights into the properties of the learned representations.

Supporting requirement elicitation and ontology testing in knowledge graph engineering

Knowledge graphs and ontologies are closely related concepts in the field of knowledge representation. In recent years, knowledge graphs have gained increasing popularity and are serving as essential components in many knowledge engineering projects that view them as crucial to their success. The conceptual foundation of the knowledge graph is provided by ontologies. Ontology modeling is an iterative engineering process that consists of steps such as the elicitation and formalization of requirements, the development, testing, refactoring, and release of the ontology. The testing of the ontology is a crucial and occasionally overlooked step of the process due to the lack of integrated tools to support it. As a result of this gap in the state-of-the-art, the testing of the ontology is completed manually, which requires a considerable amount of time and effort from the ontology engineers. The lack of tool support is noticed in the requirement elicitation process as well. In this aspect, the rise in the adoption and accessibility of knowledge graphs allows for the development and use of automated tools to assist with the elicitation of requirements from such a complementary source of data. Therefore, this doctoral research is focused on developing methods and tools that support the requirement elicitation and testing steps of an ontology engineering process. To support the testing of the ontology, we have developed XDTesting, a web application that is integrated with the GitHub platform that serves as an ontology testing manager. Concurrently, to support the elicitation and documentation of competency questions, we have defined and implemented RevOnt, a method to extract competency questions from knowledge graphs. Both methods are evaluated through their implementation and the results are promising.

Inside standard and hyperspectral low-dose CT variational imaging: parameter identification and material decomposition

The main contribution of this thesis is the proposal of novel strategies for the selection of parameters arising in variational models employed for the solution of inverse problems with data corrupted by Poisson noise. In light of the importance of using a significantly small dose of X-rays in Computed Tomography (CT), and its need of using advanced techniques to reconstruct the objects due to the high level of noise in the data, we will focus on parameter selection principles especially for low photon-counts, i.e. low dose Computed Tomography. For completeness, since such strategies can be adopted for various scenarios where the noise in the data typically follows a Poisson distribution, we will show their performance for other applications such as photography, astronomical and microscopy imaging. More specifically, in the first part of the thesis we will focus on low dose CT data corrupted only by Poisson noise by extending automatic selection strategies designed for Gaussian noise and improving the few existing ones for Poisson. The new approaches will show to outperform the state-of-the-art competitors especially in the low-counting regime. Moreover, we will propose to extend the best performing strategy to the hard task of multi-parameter selection showing promising results. Finally, in the last part of the thesis, we will introduce the problem of material decomposition for hyperspectral CT, which data encodes information of how different materials in the target attenuate X-rays in different ways according to the specific energy. We will conduct a preliminary comparative study to obtain accurate material decomposition starting from few noisy projection data.

Decoding complex flow phenomena via Dynamic Mode Decomposition

In this thesis, the viability of the Dynamic Mode Decomposition (DMD) as a technique to analyze and model complex dynamic real-world systems is presented. This method derives, directly from data, computationally efficient reduced-order models (ROMs) which can replace too onerous or unavailable high-fidelity physics-based models. Optimizations and extensions to the standard implementation of the methodology are proposed, investigating diverse case studies related to the decoding of complex flow phenomena. The flexibility of this data-driven technique allows its application to high-fidelity fluid dynamics simulations, as well as time series of real systems observations. The resulting ROMs are tested against two tasks: (i) reduction of the storage requirements of high-fidelity simulations or observations; (ii) interpolation and extrapolation of missing data. The capabilities of DMD can also be exploited to alleviate the cost of onerous studies that require many simulations, such as uncertainty quantification analysis, especially when dealing with complex high-dimensional systems. In this context, a novel approach to address parameter variability issues when modeling systems with space and time-variant response is proposed. Specifically, DMD is merged with another model-reduction technique, namely the Polynomial Chaos Expansion, for uncertainty quantification purposes. Useful guidelines for DMD deployment result from the study, together with the demonstration of its potential to ease diagnosis and scenario analysis when complex flow processes are involved.

Poset associahedra as sections of graph associahedra

Poset associahedra are a family of convex polytopes recently introduced by Pavel Galashin in 2021. The associahedron An is an (n-2)-dimensional convex polytope whose facial structure encodes the ways of parenthesizing an n-letter word (among several equivalent combinatorial objects). Associahedra are deeply studied polytopes that appear naturally in many areas of mathematics: algebra, combinatorics, geometry, topology... They have many presentations and generalizations. One of their incarnations is as a compactification of the configuration space of n points on a line. Similarly, the P-associahedron of a poset P is a compactification of the configuration space of order preserving maps from P to R. Galashin presents poset associahedra as combinatorial objects and shows that they can be realized as convex polytopes. However, his proof is not constructive, in the sense that no explicit coordinates are provided. The main goal of this thesis is to provide an explicit construction of poset associahedra as sections of graph associahedra, thus solving the open problem stated in Remark 1.5 of Galashin's paper.

Graph theory and geometric deep learning

La seguente tesi propone un’introduzione al geometric deep learning. Nella prima parte vengono presentati i concetti principali di teoria dei grafi ed introdotta una dinamica di diffusione su grafo, in analogia con l’equazione del calore. A seguire, iniziando dal linear classifier verranno introdotte le architetture che hanno portato all’ideazione delle graph convolutional networks. In conclusione, si analizzano esempi di alcuni algoritmi utilizzati nel geometric deep learning e si mostra una loro implementazione sul Cora dataset, un insieme di dati con struttura a grafo.

Graph-based Vision-Language Model for Multi-Modal Retrieval of Fashion Products

Artificial Intelligence is reshaping the field of fashion industry in different ways. E-commerce retailers exploit their data through AI to enhance their search engines, make outfit suggestions and forecast the success of a specific fashion product. However, it is a challenging endeavour as the data they possess is huge, complex and multi-modal. The most common way to search for fashion products online is by matching keywords with phrases in the product's description which are often cluttered, inadequate and differ across collections and sellers. A customer may also browse an online store's taxonomy, although this is time-consuming and doesn't guarantee relevant items. With the advent of Deep Learning architectures, particularly Vision-Language models, ad-hoc solutions have been proposed to model both the product image and description to solve this problems. However, the suggested solutions do not exploit effectively the semantic or syntactic information of these modalities, and the unique qualities and relations of clothing items. In this work of thesis, a novel approach is proposed to address this issues, which aims to model and process images and text descriptions as graphs in order to exploit the relations inside and between each modality and employs specific techniques to extract syntactic and semantic information. The results obtained show promising performances on different tasks when compared to the present state-of-the-art deep learning architectures.

Rational algorithms for the decomposition of Feynman integrals via intersection theory

The decomposition of Feynman integrals into a basis of independent master integrals is an essential ingredient of high-precision theoretical predictions, that often represents a major bottleneck when processes with a high number of loops and legs are involved. In this thesis we present a new algorithm for the decomposition of Feynman integrals into master integrals with the formalism of intersection theory. Intersection theory is a novel approach that allows to decompose Feynman integrals into master integrals via projections, based on a scalar product between Feynman integrals called intersection number. We propose a new purely rational algorithm for the calculation of intersection numbers of differential $n-$forms that avoids the presence of algebraic extensions. We show how expansions around non-rational poles, which are a bottleneck of existing algorithms for intersection numbers, can be avoided by performing an expansion in series around a rational polynomial irreducible over $\mathbb{Q}$, that we refer to as $p(z)-$adic expansion. The algorithm we developed has been implemented and tested on several diagrams, both at one and two loops.

On the Iwasawa decomposition

La decomposizione di Iwasawa è una particolare decomposizione di un gruppo di Lie semisemplice G in cui i fattori sono sottogruppi chiusi di G. In questa tesi si analizza nello specifico la decomposizione di Iwasawa del gruppo SL(2,R), dandone alcune rilevanti applicazioni algebriche e topologiche (Capitolo 2). Alcune di queste sono ad esempio l'omeomorfismo di SL(2,R) con l'interno di un toro solido e l'esistenza di un unico omomorfismo continuo (quello banale) da SL(2,R) al gruppo additivo di R. Vengono poi studiate le classi di coniugio degli elementi di SL(2,R) in termini dei sottogruppi che compaiono nella decomposizione di Iwasawa e l'azione di SL(2,R) sul semipiano superiore del piano complesso, da cui è possibile ricavare una dimostrazione alternativa della decomposizione di Iwasawa. Il Capitolo 1 raccoglie il materiale introduttivo utile ad una lettura autocontenuta della tesi; in particolare vengono introdotti i gruppi topologici GL(n,F) e SL(n,F) (dove F indica un campo), l'azione di un gruppo su un insieme e l'esponenziale di matrici. Infine nel Capitolo 3 viene estesa la dimostrazione della decomposizione di Iwasawa ai gruppi SL(n,R) e SL(n,C).

Graph-based User Scheduling for MIMO LEO-based Satellite Communication Systems

The study of the user scheduling problem in a Low Earth Orbit (LEO) Multi-User MIMO system is the objective of this thesis. With the application of cutting-edge digital beamforming algorithms, a LEO satellite with an antenna array and a large number of antenna elements can provide service to many user terminals (UTs) in full frequency reuse (FFR) schemes. Since the number of UTs on-ground are many more than the transmit antennas on the satellite, user scheduling is necessary. Scheduling can be accomplished by grouping users into different clusters: users within the same cluster are multiplexed and served together via Space Division Multiple Access (SDMA), i.e., digital beamforming or Multi-User MIMO techniques; the different clusters of users are then served on different time slots via Time Division Multiple Access (TDMA). The design of an optimal user grouping strategy is known to be an NP-complete problem which can be solved only through exhaustive search. In this thesis, we provide a graph-based user scheduling and feed space beamforming architecture for the downlink with the aim of reducing user inter-beam interference. The main idea is based on clustering users whose pairwise great-circle distance is as large as possible. First, we create a graph where the users represent the vertices, whereas an edge in the graph between 2 users exists if their great-circle distance is above a certain threshold. In the second step, we develop a low complex greedy user clustering technique and we iteratively search for the maximum clique in the graph, i.e., the largest fully connected subgraph in the graph. Finally, by using the 3 aforementioned power normalization techniques, a Minimum Mean Square Error (MMSE) beamforming matrix is deployed on a cluster basis. The suggested scheduling system is compared with a position-based scheduler, which generates a beam lattice on the ground and randomly selects one user per beam to form a cluster.

Anomaly Detection in Random Graph

La presenti tesi ha come obiettivo lo studio di due algoritmi per il rilevamento di anomalie all' interno di grafi random. Per entrambi gli algoritmi sono stati creati dei modelli generativi di grafi dinamici in modo da eseguire dei test sintetici. La tesi si compone in una parte iniziale teorica e di una seconda parte sperimentale. Il secondo capitolo introduce la teoria dei grafi. Il terzo capitolo presenta il problema del rilevamento di comunità. Il quarto capitolo introduce possibili definizioni del concetto di anomalie dinamiche e il problema del loro rilevamento. Il quinto capitolo propone l' introduzione di un punteggio di outlierness associato ad ogni nodo sulla base del confronto tra la sua dinamica e quella della comunità a cui appartiene. L' ultimo capitolo si incentra sul problema della ricerca di una descrizione della rete in termini di gruppi o ruoli sulla base della quale incentrare la ricerca delle anomalie dinamiche.

Metals And (metallo)proteins Identification In Vitreous Humor Focusing On Post-mortem Biochemistry.

This work describes the evaluation of metals and (metallo)proteins in vitreous humor samples and their correlations with some biological aspects in different post-mortem intervals (1-7 days), taking into account both decomposing and non-decomposing bodies. After qualitative evaluation of the samples involving 26 elements, representative metal ions (Fe, Mg and Mo) are determined by inductively coupled plasma mass spectrometry after using mini-vial decomposition system for sample preparation. A significant trend for Fe is found with post-mortem time for decomposing bodies because of a significant increase of iron concentration when comparing samples from bodies presenting 3 and 7 days post-mortem interval. An important clue to elucidate the role of metals is the coupling of liquid chromatography with inductively coupled plasma mass spectrometry for identification of metals linked to proteins, as well as mass spectrometry for the identification of those proteins involved in the post-mortem interval.

PARAFAC: uma ferramenta quimiométrica para tratamento de dados multidimensionais. Aplicações na determinação direta de fármacos em plasma humano por espectrofluorimetria

Since the last decade, the combined use of chemometrics and molecular spectroscopic techniques has become a new alternative for direct drug determination, without the need of physical separation. Among the new methodologies developed, the application of PARAFAC in the decomposition of spectrofluorimetric data should be highlighted. The first objective of this article is to describe the theoretical basis of PARAFAC. For this purpose, a discussion about the order of chemometric methods used in multivariate calibration and the development of multi-dimensional methods is presented first. The other objective of this article is to divulge for the Brazilian chemical community the potential of the combination PARAFAC/spectrofluorimetry for the determination of drugs in complex biological matrices. For this purpose, two applications aiming at determining, respectively, doxorrubicine and salicylate in human plasma are presented.

Produção de serapilheira e decomposição do material foliar em um cerradão na Estação Ecológica de Jataí, município de Luiz Antônio, SP, Brasil

We estimate litter production and leaf decomposition rate in a cerradão area, physiognomy little studied and very threatened in São Paulo State. During the period of study, litter production was 5646.9 kg.ha-1.year-1, which the 'leaf' fraction corresponded to 4081.2 kg.ha¹.year¹; the 'branch' fraction, to 1066.1 kg.ha-1.year-1; the 'reproductive structures' fraction, to 434.1 kg.ha-1.year-1; and the 'miscellaneous' fraction to 65.5 kg.ha-1.year-1. Litter production was highly seasonal and negatively correlated with relative humidity and air temperature. Leaf production was negatively correlated with relative humidity, rainfall, and air temperature. There was no significant difference between litter production found in this study and those in two other sites with cerradão and semideciduous forest, but these physiognomies differed significantly from the cerrado sensu stricto. Leaf decomposition rate (K) was 0.56. Half-life of the decomposing material was 1.8 years and turnover time was 2.3 years.