Representation Learning for Graph Structured Data using Deep Neural Networks

Dealing with relational data structures is central to a wide-range of applications including social networks, epidemic modeling, molecular chemistry, medicine, energy distribution, and transportation. Machine learning models that can exploit the inherent structural/relational bias in the graph structured data have gained prominence in recent times. A recurring idea that appears in all approaches is to encode the nodes in the graph (or the entire graph) as low-dimensional vectors also known as embeddings, prior to carrying out downstream task-specific learning. It is crucial to eliminate hand-crafted features and instead directly incorporate the structural inductive bias into the deep learning architectures. In this dissertation, deep learning models that directly operate on graph structured data are proposed for effective representation learning. A literature review on existing graph representation learning is provided in the beginning of the dissertation. The primary focus of dissertation is on building novel graph neural network architectures that are robust against adversarial attacks. The proposed graph neural network models are extended to multiplex graphs (heterogeneous graphs). Finally, a relational neural network model is proposed to operate on a human structural connectome. For every research contribution of this dissertation, several empirical studies are conducted on benchmark datasets. The proposed graph neural network models, approaches, and architectures demonstrate significant performance improvements in comparison to the existing state-of-the-art graph embedding strategies.