Hugging Face Blog

Graph Classification with Transformers

arXiv AI
Jul 28

A Survey of Graph Transformers: Architectures, Theories and Applications

arXiv:2502. 16533v3 Announce Type: replace-cross 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.

By Chaohao Yuan, Kangfei Zhao, Ercan Engin Kuruoglu, Liang Wang, Tingyang Xu, Wenbing Huang, Deli Zhao, Hong Cheng, Yu Rong
arXiv Machine Learning
3d ago

Pre-training with Graph Transformers

The paper explores pre‑training methods for graph transformers applied to biochemistry. It finds that supervised pre‑training with computed property labels yields the best improvement on downstream tasks, and it emphasizes that limiting model capacity helps prevent overfitting.

By Jiaming Wang, Thomas Laurent, Xavier Bresson
arXiv Machine Learning
Aug 28

Plain Transformers Can be Powerful Graph Learners

The paper shows that a plain Transformer can serve as an effective graph learner by adding three lightweight modifications: simplified L₂ attention, adaptive RMS normalization, and an MLP-based positional encoding stem. These changes preserve token magnitude and enable the model to achieve high expressivity on graph benchmarks, outperforming more complex graph transformer variants. The results suggest that plain Transformers can act as a unified backbone for multimodal learning across language, vision, and graph domains.

By Liheng Ma, Soumyasundar Pal, Yingxue Zhang, Philip H. S. Torr, Mark Coates
arXiv Machine Learning
Jul 7

Graph Neural Networks for the Graphical Bootstrap

arXiv:2607. 03109v1 Announce Type: cross Abstract: We study a graph classification problem involving over 20 million graphs, arising from high-order perturbative computations of correlators in planar $\mathcal{N}=4$ super-Yang--Mills, a model closely related to the theory of the strong nuclear force.

By Rigers Aliaj, Gabriele Dian, Reza Doobary, Paul Heslop
arXiv AI
Jun 26

Rotary Position Encodings for Graphs

arXiv:2509. 22259v4 Announce Type: replace-cross Abstract: We study the extent to which rotary position encodings (RoPE), a recent transformer position encoding algorithm broadly adopted in large language models (LLMs) and vision transformers (ViTs), can be applied to graph-structured data.

By Isaac Reid, Arijit Sehanobish, Cederik H\"ofs, Bruno Mlodozeniec, Leonhard Vulpius, Federico Barbero, Adrian Weller, Krzysztof Choromanski, Richard E. Turner, Petar Veli\v{c}kovi\'c
arXiv Machine Learning
Sep 3

From topology learning to graph generation: A unifying perspective

The article reviews the problem of learning graph structures from data, noting that research has traditionally split into two paths: inferring the topology of a single graph from observations on it, and learning a generative distribution from multiple observed graphs to sample new ones. It proposes a unified framework that treats both as inverse problems of a common graph generation process, reviews key methods, and discusses their interrelations, strengths, and limitations. The review highlights opportunities for cross‑paradigm integration and outlines future research directions.

By Xiaowen Dong, Hoi-To Wai, Siheng Chen, Laura Toni, Dorina Thanou
arXiv AI
2d ago

GraphIFE: Rethinking Graph Imbalance Node Classification via Invariant Learning

GraphIFE addresses the class imbalance problem in graph-structured data by tackling a quality inconsistency issue in synthesized nodes. The framework uses graph invariant learning to strengthen embedding space representations and identify invariant features, leading to improved performance on minority classes. Experiments show that GraphIFE consistently outperforms various baselines across multiple datasets.

By Fanlong Zeng, Wensheng Gan, Kangjie Chen, Philip S. Yu