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Graph Transformers (GTs) have demonstrated their advantages across a wide range of tasks. However, the self-attention mechanism in GTs overlooks the graph's inductive biases, particularly biases related to structure, which are crucial for…

Machine Learning · Computer Science 2024-04-25 Chuang Liu , Zelin Yao , Yibing Zhan , Xueqi Ma , Shirui Pan , Wenbin Hu

Graph Transformers (GTs) with powerful representation learning ability make a huge success in wide range of graph tasks. However, the costs behind outstanding performances of GTs are higher energy consumption and computational overhead. The…

Neural and Evolutionary Computing · Computer Science 2024-03-27 Huizhe Zhang , Jintang Li , Liang Chen , Zibin Zheng

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

Machine Learning · Computer Science 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Link prediction is a core challenge in graph machine learning, demanding models that capture rich and complex topological dependencies. While Graph Neural Networks (GNNs) are the standard solution, state-of-the-art pipelines often rely on…

Machine Learning · Computer Science 2026-02-03 Quang Truong , Yu Song , Donald Loveland , Mingxuan Ju , Tong Zhao , Neil Shah , Jiliang Tang

Graph Transformers (GTs) have achieved impressive results on various graph-related tasks. However, the huge computational cost of GTs hinders their deployment and application, especially in resource-constrained environments. Therefore, in…

Machine Learning · Computer Science 2023-12-12 Chuang Liu , Yibing Zhan , Xueqi Ma , Liang Ding , Dapeng Tao , Jia Wu , Wenbin Hu , Bo Du

Graph pre-training has been concentrated on graph-level tasks involving small graphs (e.g., molecular graphs) or learning node representations on a fixed graph. Extending graph pre-trained models to web-scale graphs with billions of nodes…

Machine Learning · Computer Science 2025-11-07 Yufei He , Zhenyu Hou , Yukuo Cen , Jun Hu , Feng He , Xu Cheng , Jie Tang , Bryan Hooi

Graph Transformers (GTs) have demonstrated superior performance compared to traditional message-passing graph neural networks in many studies, especially in processing graph data with long-range dependencies. However, GTs tend to suffer…

Machine Learning · Computer Science 2025-04-30 Zhonghao Li , Ji Shi , Xinming Zhang , Miao Zhang , Bo Li

In the realm of Graph Neural Networks (GNNs), two exciting research directions have recently emerged: Subgraph GNNs and Graph Transformers. In this paper, we propose an architecture that integrates both approaches, dubbed Subgraphormer,…

Machine Learning · Computer Science 2024-05-29 Guy Bar-Shalom , Beatrice Bevilacqua , Haggai Maron

Graph neural networks (GNNs) have been widely adopted in engineering applications such as social network analysis, chemical research and computer vision. However, their efficacy is severely compromised by the inherent homophily assumption,…

Machine Learning · Computer Science 2026-04-13 Yi Luo , Xu Sun , Guangchun Luo , Aiguo Chen

The Transformer architecture has achieved remarkable success in a number of domains including natural language processing and computer vision. However, when it comes to graph-structured data, transformers have not achieved competitive…

Machine Learning · Computer Science 2022-10-11 Zaixi Zhang , Qi Liu , Qingyong Hu , Chee-Kong Lee

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

Node tokenized graph Transformers (GTs) have shown promising performance in node classification. The generation of token sequences is the key module in existing tokenized GTs which transforms the input graph into token sequences,…

Machine Learning · Computer Science 2025-02-13 Jinsong Chen , Chenyang Li , GaiChao Li , John E. Hopcroft , Kun He

The Transformer is an extremely powerful and prominent deep learning architecture. In this work, we challenge the commonly held belief in deep learning that going deeper is better, and show an alternative design approach that is building…

Machine Learning · Computer Science 2022-11-10 Jason Ross Brown , Yiren Zhao , Ilia Shumailov , Robert D Mullins

Standard transformer-based language models, while powerful for general text, often struggle with the fine-grained syntax and entity relationships in complex technical, engineering documents. To address this, we propose the Contextual Graph…

Computation and Language · Computer Science 2025-08-05 Karan Reddy , Mayukha Pal

Graph Transformers have garnered significant attention for learning graph-structured data, thanks to their superb ability to capture long-range dependencies among nodes. However, the quadratic space and time complexity hinders the…

Information Retrieval · Computer Science 2024-05-08 Huiyuan Chen , Zhe Xu , Chin-Chia Michael Yeh , Vivian Lai , Yan Zheng , Minghua Xu , Hanghang Tong

Transformers have revolutionized performance in Natural Language Processing and Vision, paving the way for their integration with Graph Neural Networks (GNNs). One key challenge in enhancing graph transformers is strengthening the…

Machine Learning · Computer Science 2026-01-09 Yun Young Choi , Sun Woo Park , Minho Lee , Youngho Woo

Transformers have demonstrated remarkable performance across diverse domains. The key component of Transformers is self-attention, which learns the relationship between any two tokens in the input sequence. Recent studies have revealed that…

Machine Learning · Computer Science 2025-05-14 Hyowon Wi , Jeongwhan Choi , Noseong Park

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

Transformers, renowned for their self-attention mechanism, have achieved state-of-the-art performance across various tasks in natural language processing, computer vision, time-series modeling, etc. However, one of the challenges with deep…

Machine Learning · Computer Science 2024-11-04 Jeongwhan Choi , Hyowon Wi , Jayoung Kim , Yehjin Shin , Kookjin Lee , Nathaniel Trask , Noseong Park

We present a generalization of Transformers to any-order permutation invariant data (sets, graphs, and hypergraphs). We begin by observing that Transformers generalize DeepSets, or first-order (set-input) permutation invariant MLPs. Then,…

Machine Learning · Computer Science 2022-01-25 Jinwoo Kim , Saeyoon Oh , Seunghoon Hong