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Graph neural networks (GNNs) have demonstrated significant promise in modelling relational data and have been widely applied in various fields of interest. The key mechanism behind GNNs is the so-called message passing where information is…

The integration of Graph Neural Networks (GNNs) and Neural Ordinary and Partial Differential Equations has been extensively studied in recent years. GNN architectures powered by neural differential equations allow us to reason about their…

Recent studies reveal the connection between GNNs and the diffusion process, which motivates many diffusion-based GNNs to be proposed. However, since these two mechanisms are closely related, one fundamental question naturally arises: Is…

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling…

We present Graph Neural Diffusion (GRAND) that approaches deep learning on graphs as a continuous diffusion process and treats Graph Neural Networks (GNNs) as discretisations of an underlying PDE. In our model, the layer structure and…

The analogy to heat diffusion has enhanced our understanding of information flow in graphs and inspired the development of Graph Neural Networks (GNNs). However, most diffusion-based GNNs emulate passive heat diffusion, which still suffers…

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

Understanding and predicting interface diffusion phenomena in materials is crucial for various industrial applications, including semiconductor manufacturing, battery technology, and catalysis. In this study, we propose a novel approach…

Graph neural networks are emerging as continuation of deep learning success w.r.t. graph data. Tens of different graph neural network variants have been proposed, most following a neighborhood aggregation scheme, where the node features are…

Probabilistic graphical models provide a powerful tool to describe complex statistical structure, with many real-world applications in science and engineering from controlling robotic arms to understanding neuronal computations. A major…

Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in tackling a wide array of graph-related tasks across diverse domains. However, a significant challenge lies in their propensity to generate biased predictions,…

Graph neural networks (GNNs) are widely used in domains like social networks and biological systems. However, the locality assumption of GNNs, which limits information exchange to neighboring nodes, hampers their ability to capture…

Recently, diffusion-based recommendation methods have achieved impressive results. However, existing approaches predominantly treat each user's historical interactions as independent training samples, overlooking the potential of…

The popularity of deep learning techniques renewed the interest in neural architectures able to process complex structures that can be represented using graphs, inspired by Graph Neural Networks (GNNs). We focus our attention on the…

Recommender systems rely on Collaborative Filtering (CF) to predict user preferences by leveraging patterns in historical user-item interactions. While traditional CF methods primarily focus on learning compact vector embeddings for users…

Spatio-temporal processes often exhibit highly heterogeneous and non-intuitive responses to localized disruptions, limiting the effectiveness of conventional message passing approaches in modeling local heterogeneity. We reformulate…

Graph Neural Networks (GNNs) unlock new ways of learning from graph-structured data, proving highly effective in capturing complex relationships and patterns. Federated GNNs (FGNNs) have emerged as a prominent distributed learning paradigm…

Diffusion models have gained popularity in graph generation tasks; however, the extent of their expressivity concerning the graph distributions they can learn is not fully understood. Unlike models in other domains, popular backbones for…

Graph Neural Networks (GNNs) have achieved remarkable success across diverse applications, yet they remain limited by oversmoothing and poor performance on heterophilic graphs. To address these challenges, we introduce a novel framework…

Graphs are essential representations of many real-world data such as social networks. Recent years have witnessed the increasing efforts made to extend the neural network models to graph-structured data. These methods, which are usually…