A Survey of Graph Transformers: Architectures, Theories and Applications

Abstract:Graph Transformers (GTs) have demonstrated a strong capability in modeling graph structures by addressing the intrinsic limitations of graph neural networks (GNNs), such as over-smoothing and over-squashing. Recent studies have proposed diverse architectures, enhanced explainability, and practical applications for Graph Transformers. In light of these rapid developments, we conduct a comprehensive review of Graph Transformers, covering aspects such as their architectures, theoretical foundations, and applications. In this survey, we first categorize the architecture of Graph Transformers according to their strategies for processing structural information, including graph tokenization, positional encoding, structure-aware attention, and model ensemble. Then, from the theoretical perspective, we examine the expressivity of Graph Transformers in various discussed architectures and contrast them with other advanced graph learning algorithms to discover their connections. For applications, we organize the literature around four graph organization forms, from relational, geometric, dynamic to heterogeneous. A Practical Guidance table then maps architectural components to these graph forms by adoption frequency, so practitioners can narrow down which design families to consider for a given input structure. Lastly, we will discuss the current challenges and prospective directions in Graph Transformers for potential future research.

Machine Learning (cs.LG); Artificial Intelligence (cs.AI)

arXiv:2502.16533 [cs.LG]

(or arXiv:2502.16533v3 [cs.LG] for this version)

https://doi.org/10.1145/3834764 DOI(s) linking to related resources