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Graph Transformer has recently received wide attention in the research community with its outstanding performance, yet its structural expressive power has not been well analyzed. Inspired by the connections between Weisfeiler-Lehman (WL)…

Transformers have achieved remarkable success across domains, motivating the rise of Graph Transformers (GTs) as attention-based architectures for graph-structured data. A key design choice in GTs is the use of Graph Neural Network…

Graph Neural Networks (GNNs) are learning models aimed at processing graphs and signals on graphs. The most popular and successful GNNs are based on message passing schemes. Such schemes inherently have limited expressive power when it…

Graph Transformers are popular neural networks that extend the well-known Transformer architecture to the graph domain. These architectures operate by applying self-attention on graph nodes and incorporating graph structure through the use…

Designing expressive Graph Neural Networks (GNNs) is a fundamental topic in the graph learning community. So far, GNN expressiveness has been primarily assessed via the Weisfeiler-Lehman (WL) hierarchy. However, such an expressivity measure…

Theoretical studies on the representation power of GNNs have been centered around understanding the equivalence of GNNs, using WL-Tests for detecting graph isomorphism. In this paper, we argue that such equivalence ignores the accompanying…

Graph neural networks (GNNs) are typically applied to static graphs that are assumed to be known upfront. This static input structure is often informed purely by insight of the machine learning practitioner, and might not be optimal for the…

Textual graphs are ubiquitous in real-world applications, featuring rich text information with complex relationships, which enables advanced research across various fields. Textual graph representation learning aims to generate…

In this work, we propose novel families of positional encodings tailored to graph neural networks obtained with quantum computers. These encodings leverage the long-range correlations inherent in quantum systems that arise from mapping the…

Graphs are a powerful data structure to represent relational data and are widely used to describe complex real-world data structures. Probabilistic Graphical Models (PGMs) have been well-developed in the past years to mathematically model…

Graphs are a powerful data structure for representing relational data and are widely used to describe complex real-world systems. Probabilistic Graphical Models (PGMs) and Graph Neural Networks (GNNs) can both leverage graph-structured…

Graph neural networks (GNNs) have various practical applications, such as drug discovery, recommendation engines, and chip design. However, GNNs lack transparency as they cannot provide understandable explanations for their predictions. To…

Graph neural network (GNN) is a promising approach to learning and predicting physical phenomena described in boundary value problems, such as partial differential equations (PDEs) with boundary conditions. However, existing models…

A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the…

Despite advances in the field of Graph Neural Networks (GNNs), only a small number (~5) of datasets are currently used to evaluate new models. This continued reliance on a handful of datasets provides minimal insight into the performance…

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by additionally making use of graph structure based on the relational inductive bias (edge bias), rather than treating the nodes as collections of independent and identically…

Graph Neural Networks (GNNs) are widely used for graph representation learning. Despite its prevalence, GNN suffers from two drawbacks in the graph classification task, the neglect of graph-level relationships, and the generalization issue.…

The success of large pretrained Transformers is closely tied to tokenizers, which convert raw input into discrete symbols. Extending these models to graph-structured data remains a significant challenge. In this work, we introduce a graph…

This paper revisits the role of positional embeddings (PEs) within vision transformers (ViTs) from a geometric perspective. We show that PEs are not mere token indices but effectively function as geometric priors that shape the spatial…

Predictive Business Process Monitoring (PBPM) aims to forecast future events in ongoing cases based on historical event logs. While Graph Neural Networks (GNNs) are well suited to capture structural dependencies in process data, existing…