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The emerging graph Transformers have achieved impressive performance for graph representation learning over graph neural networks (GNNs). In this work, we regard the self-attention mechanism, the core module of graph Transformers, as a…

Machine Learning · Computer Science 2023-10-18 Jinsong Chen , Gaichao Li , John E. Hopcroft , Kun He

Transformers serve as the backbone architectures of Foundational Models, where domain-specific tokenizers allow them to adapt to various domains. Graph Transformers (GTs) have recently emerged as leading models in geometric deep learning,…

Neural and Evolutionary Computing · Computer Science 2025-04-03 Limei Wang , Kaveh Hassani , Si Zhang , Dongqi Fu , Baichuan Yuan , Weilin Cong , Zhigang Hua , Hao Wu , Ning Yao , Bo Long

We present an approach to modifying Transformer architectures by integrating graph-aware relational reasoning into the attention mechanism, merging concepts from graph neural networks and language modeling. Building on the inherent…

Machine Learning · Computer Science 2025-03-06 Markus J. Buehler

Graph Transformers (GTs) have shown strong empirical performance, yet current architectures vary widely in their use of attention mechanisms, positional embeddings (PEs), and expressivity. Existing expressivity results are often tied to…

Machine Learning · Computer Science 2025-11-12 Timo Stoll , Luis Müller , Christopher Morris

Graph Transformer is gaining increasing attention in the field of machine learning and has demonstrated state-of-the-art performance on benchmarks for graph representation learning. However, as current implementations of Graph Transformer…

Machine Learning · Computer Science 2023-05-08 Wenhao Zhu , Tianyu Wen , Guojie Song , Xiaojun Ma , Liang Wang

Despite their widespread success in various domains, Transformer networks have yet to perform well across datasets in the domain of 3D atomistic graphs such as molecules even when 3D-related inductive biases like translational invariance…

Machine Learning · Computer Science 2023-03-01 Yi-Lun Liao , Tess Smidt

Graph Transformers (GTs) have emerged as a promising graph learning tool, leveraging their all-pair connected property to effectively capture global information. To address the over-smoothing problem in deep GNNs, global attention was…

Machine Learning · Computer Science 2025-12-17 Chaohao Yuan , Zhenjie Song , Ercan Engin Kuruoglu , Kangfei Zhao , Yang Liu , Deli Zhao , Hong Cheng , Yu Rong

We propose an extension to the transformer neural network architecture for general-purpose graph learning by adding a dedicated pathway for pairwise structural information, called edge channels. The resultant framework - which we call…

Machine Learning · Computer Science 2022-06-06 Md Shamim Hussain , Mohammed J. Zaki , Dharmashankar Subramanian

We present a novel graph Transformer generative adversarial network (GTGAN) to learn effective graph node relations in an end-to-end fashion for challenging graph-constrained architectural layout generation tasks. The proposed…

Computer Vision and Pattern Recognition · Computer Science 2024-01-17 Hao Tang , Ling Shao , Nicu Sebe , Luc Van Gool

Transformers have achieved remarkable performance in a myriad of fields including natural language processing and computer vision. However, when it comes to the graph mining area, where graph neural network (GNN) has been the dominant…

Machine Learning · Computer Science 2021-10-26 Jianan Zhao , Chaozhuo Li , Qianlong Wen , Yiqi Wang , Yuming Liu , Hao Sun , Xing Xie , Yanfang Ye

Linear attention mechanisms have emerged as efficient alternatives to full self-attention in Graph Transformers, offering linear time complexity. However, existing linear attention models often suffer from a significant drop in…

Computer Vision and Pattern Recognition · Computer Science 2026-01-29 Zhaolin Hu , Kun Li , Hehe Fan , Yi Yang

By incorporating the graph structural information into Transformers, graph Transformers have exhibited promising performance for graph representation learning in recent years. Existing graph Transformers leverage specific strategies, such…

Machine Learning · Computer Science 2022-11-16 Gaichao Li , Jinsong Chen , Kun He

Recently Transformer-based hyperspectral image (HSI) change detection methods have shown remarkable performance. Nevertheless, existing attention mechanisms in Transformers have limitations in local feature representation. To address this…

Image and Video Processing · Electrical Eng. & Systems 2024-11-22 Ziyi Wang , Feng Gao , Junyu Dong , Qian Du

Graph Transformers (GTs) have emerged as powerful architectures for graph-structured data, yet remain constrained by rigid designs and lack quantifiable interpretability. Current state-of-the-art GTs commit to fixed GNN types across all…

Machine Learning · Computer Science 2025-11-03 Shruti Sarika Chakraborty , Peter Minary

Graphs are the natural data structure to represent relational and structural information in many domains. To cover the broad range of graph-data applications including graph classification as well as graph generation, it is desirable to…

Machine Learning · Computer Science 2020-06-11 Sanghyun Yoo , Young-Seok Kim , Kang Hyun Lee , Kuhwan Jeong , Junhwi Choi , Hoshik Lee , Young Sang Choi

Transductive tasks on graphs differ fundamentally from typical supervised machine learning tasks, as the independent and identically distributed (i.i.d.) assumption does not hold among samples. Instead, all train/test/validation samples are…

Machine Learning · Computer Science 2024-11-21 Hamed Shirzad , Honghao Lin , Ameya Velingker , Balaji Venkatachalam , David Woodruff , Danica Sutherland

Auto-encoders have emerged as a successful framework for unsupervised learning. However, conventional auto-encoders are incapable of utilizing explicit relations in structured data. To take advantage of relations in graph-structured data,…

Machine Learning · Computer Science 2019-05-28 Amin Salehi , Hasan Davulcu

Dynamic graph learning plays a pivotal role in modeling evolving relationships over time, especially for temporal link prediction tasks in domains such as traffic systems, social networks, and recommendation platforms. While…

Machine Learning · Computer Science 2025-11-18 Tao Zou , Chengfeng Wu , Tianxi Liao , Junchen Ye , Bowen Du

Transformers, adapted from natural language processing, are emerging as a leading approach for graph representation learning. Contemporary graph transformers often treat nodes or edges as separate tokens. This approach leads to…

Machine Learning · Computer Science 2023-10-04 Zihan Pengmei , Zimu Li , Chih-chan Tien , Risi Kondor , Aaron R. Dinner

The design of Graph Transformers (GTs) generally neglects considerations for fairness, resulting in biased outcomes against certain sensitive subgroups. Since GTs encode graph information without relying on message-passing mechanisms,…

Machine Learning · Computer Science 2024-04-29 Renqiang Luo , Huafei Huang , Shuo Yu , Xiuzhen Zhang , Feng Xia