In recent years, graph neural networks (GNNs) have become a promising method for analyzing data structured in graph format. By considering connections between entities in a graph, GNNs are able to extract valuable insights. One notable variation of GNN is the graph attention network (GAT), which employs the attention mechanism and has demonstrated promising performance in various applications. However, its ability to incorporate feature information from nodes beyond the immediate neighborhood is limited, leading to degraded performance on heterophilic data. To address this limitation, this thesis proposes a novel attention-based model, namely the Directional Graph Attention Network (DGAT). This model combines the feature-based attention with the global directional information extracted from the graph topology, as inspired by the Directional Graph Network (DGN). A new class of Laplacian matrices is proposed and an existing theoretical result on DGN is extended. This extension bridges a gap in the literature. The experimental results presented in the thesis, based on nine real-world benchmarks and ten synthetic data sets, demonstrate the superiority of the proposed DGAT model compared to the GAT baseline model. Particularly on heterophilic data sets, DGAT showed a notable average increase of approximately 35% in node classification tasks across all heterophilic real-world data sets. In addition, DGAT outperforms GAT by an average margin of around 51% in all ten synthetic data sets with various levels of heterophily

Mathematical modelling is widely used for describing infection transmission and evaluating interventions. The lack of reliable social parameters in the literature has been mentioned by many modelling studies, leading to limitations in the validity and interpretation of the results. Using data from the European MSM Internet survey 2017, we developed a network model to describe sex acts among MSM in Belgium. The model simulates daily sex acts among steady, persistent casual and one-off partners in a population of 10,000 MSM, grouped as low- or high-activity by using three different definitions. Model calibration was used to estimate partnership duration and homophily rates to match the distribution of cumulative sex partners over 12 months. We estimated an average duration between 1065 and 1409 days for steady partnerships, 4-6 and 251-299 days for assortative high- and low-activity individuals and 8-13 days for disassortative persistent casual partnerships, respectively, varying across the three definitions. High quality data on social network and behavioral parameters are scarce in literature. Our study addresses this lack of information by providing a method to estimate crucial parameters for network specification.