Maximum Likelihood Estimation and Graph Matching in Errorfully Observed Networks

Given a pair of graphs with the same number of vertices, the inexact graph matching problem consists in finding a correspondence between the vertices of these graphs that minimizes the total number of induced edge disagreements. We study this problem from a statistical framework in which one of the graphs is an errorfully observed copy of the other. We introduce a corrupting channel model, and show that in this model framework, the solution to the graph matching problem is a maximum likelihood estimator. Necessary and sufficient conditions for consistency of this MLE are presented, as well as a relaxed notion of consistency in which a negligible fraction of the vertices need not be matched correctly. The results are used to study matchability in several families of random graphs, including edge independent models, random regular graphs and small-world networks. We also use these results to introduce measures of matching feasibility, and experimentally validate the results on simulated and real-world networks

Improving Graph Neural Network Expressivity via Subgraph Isomorphism Counting

While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of applications, recent studies exposed important shortcomings in their ability to capture the structure of the underlying graph. It has been shown that the expressive power of standard GNNs is bounded by the Weisfeiler-Leman (WL) graph isomorphism test, from which they inherit proven limitations such as the inability to detect and count graph substructures. On the other hand, there is significant empirical evidence, e.g. in network science and bioinformatics, that substructures are often intimately related to downstream tasks. To this end, we propose "Graph Substructure Networks" (GSN), a topologically-aware message passing scheme based on substructure encoding. We theoretically analyse the expressive power of our architecture, showing that it is strictly more expressive than the WL test, and provide sufficient conditions for universality. Importantly, we do not attempt to adhere to the WL hierarchy; this allows us to retain multiple attractive properties of standard GNNs such as locality and linear network complexity, while being able to disambiguate even hard instances of graph isomorphism. We perform an extensive experimental evaluation on graph classification and regression tasks and obtain state-of-the-art results in diverse real-world settings including molecular graphs and social networks. The code is publicly available at https://github.com/gbouritsas/graph-substructure-networks

Mining and analysis of real-world graphs

Networked systems are everywhere - such as the Internet, social networks, biological networks, transportation networks, power grid networks, etc. They can be very large yet enormously complex. They can contain a lot of information, either open and transparent or under the cover and coded. Such real-world systems can be modeled using graphs and be mined and analyzed through the lens of network analysis. Network analysis can be applied in recognition of frequent patterns among the connected components in a large graph, such as social networks, where visual analysis is almost impossible. Frequent patterns illuminate statistically important subgraphs that are usually small enough to analyze visually. Graph mining has different practical applications in fraud detection, outliers detection, chemical molecules, etc., based on the necessity of extracting and understanding the information yielded. Network analysis can also be used to quantitatively evaluate and improve the resilience of infrastructure networks such as the Internet or power grids. Infrastructure networks directly affect the quality of people\u27s lives. However, a disastrous incident in these networks may lead to a cascading breakdown of the whole network and serious economic consequences. In essence, network analysis can help us gain actionable insights and make better data-driven decisions based on the networks. On that note, the objective of this dissertation is to improve upon existing tools for more accurate mining and analysis of real-world networks --Abstract, page iv

Power network and smart grids analysis from a graph theoretic perspective

The growing size and complexity of power systems has given raise to the use of complex network theory in their modelling, analysis, and synthesis. Though most of the previous studies in this area have focused on distributed control through well established protocols like synchronization and consensus, recently, a few fundamental concepts from graph theory have also been applied, for example in symmetry-based cluster synchronization. Among the existing notions of graph theory, graph symmetry is the focus of this proposal. However, there are other development around some concepts from complex network theory such as graph clustering in the study. In spite of the widespread applications of symmetry concepts in many real world complex networks, one can rarely find an article exploiting the symmetry in power systems. In addition, no study has been conducted in analysing controllability and robustness for a power network employing graph symmetry. It has been verified that graph symmetry promotes robustness but impedes controllability. A largely absent work, even in other fields outside power systems, is the simultaneous investigation of the symmetry effect on controllability and robustness. The thesis can be divided into two section. The first section, including Chapters 2-3, establishes the major theoretical development around the applications of graph symmetry in power networks. A few important topics in power systems and smart grids such as controllability and robustness are addressed using the symmetry concept. These topics are directed toward solving specific problems in complex power networks. The controllability analysis will lead to new algorithms elaborating current controllability benchmarks such as the maximum matching and the minimum dominant set. The resulting algorithms will optimize the number of required driver nodes indicated as FACTS devices in power networks. The second topic, robustness, will be tackled by the symmetry analysis of the network to investigate three aspects of network robustness: robustness of controllability, disturbance decoupling, and fault tolerance against failure in a network element. In the second section, including Chapters 4-8, in addition to theoretical development, a few novel applications are proposed for the theoretical development proposed in both sections one and two. In Chapter 4, an application for the proposed approaches is introduced and developed. The placement of flexible AC transmission systems (FACTS) is investigated where the cybersecurity of the associated data exchange under the wide area power networks is also considered. A new notion of security, i.e. moderated-k-symmetry, is introduced to leverage on the symmetry characteristics of the network to obscure the network data from the adversary perspective. In chapters 5-8, the use of graph theory, and in particular, graph symmetry and centrality, are adapted for the complex network of charging stations. In Chapter 5, the placement and sizing of charging stations (CSs) of the network of electric vehicles are addressed by proposing a novel complex network model of the charging stations. The problems of placement and sizing are then reformulated in a control framework and the impact of symmetry on the number and locations of charging stations is also investigated. These results are developed in Chapters 6-7 to robust placement and sizing of charging stations for the Tesla network of Sydney where the problem of extending the capacity having a set of pre-existing CSs are addressed. The role of centrality in placement of CSs is investigated in Chapter 8. Finally, concluding remarks and future works are presented in Chapter 9

Graph Neural Networks for Link Prediction with Subgraph Sketching

Many Graph Neural Networks (GNNs) perform poorly compared to simple heuristics on Link Prediction (LP) tasks. This is due to limitations in expressive power such as the inability to count triangles (the backbone of most LP heuristics) and because they can not distinguish automorphic nodes (those having identical structural roles). Both expressiveness issues can be alleviated by learning link (rather than node) representations and incorporating structural features such as triangle counts. Since explicit link representations are often prohibitively expensive, recent works resorted to subgraph-based methods, which have achieved state-of-the-art performance for LP, but suffer from poor efficiency due to high levels of redundancy between subgraphs. We analyze the components of subgraph GNN (SGNN) methods for link prediction. Based on our analysis, we propose a novel full-graph GNN called ELPH (Efficient Link Prediction with Hashing) that passes subgraph sketches as messages to approximate the key components of SGNNs without explicit subgraph construction. ELPH is provably more expressive than Message Passing GNNs (MPNNs). It outperforms existing SGNN models on many standard LP benchmarks while being orders of magnitude faster. However, it shares the common GNN limitation that it is only efficient when the dataset fits in GPU memory. Accordingly, we develop a highly scalable model, called BUDDY, which uses feature precomputation to circumvent this limitation without sacrificing predictive performance. Our experiments show that BUDDY also outperforms SGNNs on standard LP benchmarks while being highly scalable and faster than ELPH.Comment: 29 pages, 19 figures, 6 appendice