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The Transformer architecture has gained growing attention in graph representation learning recently, as it naturally overcomes several limitations of graph neural networks (GNNs) by avoiding their strict structural inductive biases and…

机器学习 · 统计学 2022-06-14 Dexiong Chen , Leslie O'Bray , Karsten Borgwardt

The Transformer architecture has recently gained considerable attention in the field of graph representation learning, as it naturally overcomes several limitations of Graph Neural Networks (GNNs) with customized attention mechanisms or…

机器学习 · 计算机科学 2025-04-01 Jianqing Liang , Min Chen , Jiye Liang

Graph neural networks are powerful architectures for structured datasets. However, current methods struggle to represent long-range dependencies. Scaling the depth or width of GNNs is insufficient to broaden receptive fields as larger GNNs…

机器学习 · 计算机科学 2022-01-24 Zhanghao Wu , Paras Jain , Matthew A. Wright , Azalia Mirhoseini , Joseph E. Gonzalez , Ion Stoica

Graphs have become a central representation in machine learning for capturing relational and structured data across various domains. Traditional graph neural networks often struggle to capture long-range dependencies between nodes due to…

机器学习 · 计算机科学 2025-08-26 Leon Dimitrov

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…

计算机视觉与模式识别 · 计算机科学 2026-01-29 Zhaolin Hu , Kun Li , Hehe Fan , Yi Yang

We argue that Transformers are essentially graph-to-graph models, with sequences just being a special case. Attention weights are functionally equivalent to graph edges. Our Graph-to-Graph Transformer architecture makes this ability…

计算与语言 · 计算机科学 2023-10-30 James Henderson , Alireza Mohammadshahi , Andrei C. Coman , Lesly Miculicich

We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

机器学习 · 计算机科学 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

The paradigm of Transformers using the self-attention mechanism has manifested its advantage in learning graph-structured data. Yet, Graph Transformers are capable of modeling full range dependencies but are often deficient in extracting…

机器学习 · 计算机科学 2024-09-11 Minhong Zhu , Zhenhao Zhao , Weiran Cai

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…

机器学习 · 计算机科学 2025-04-30 Zhonghao Li , Ji Shi , Xinming Zhang , Miao Zhang , Bo Li

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…

机器学习 · 计算机科学 2025-11-18 Tao Zou , Chengfeng Wu , Tianxi Liao , Junchen Ye , Bowen Du

Transformer-based models have recently shown success in representation learning on graph-structured data beyond natural language processing and computer vision. However, the success is limited to small-scale graphs due to the drawbacks of…

机器学习 · 计算机科学 2022-10-05 Jinyoung Park , Seongjun Yun , Hyeonjin Park , Jaewoo Kang , Jisu Jeong , Kyung-Min Kim , Jung-woo Ha , Hyunwoo J. Kim

Session-based recommendation systems suggest relevant items to users by modeling user behavior and preferences using short-term anonymous sessions. Existing methods leverage Graph Neural Networks (GNNs) that propagate and aggregate…

信息检索 · 计算机科学 2022-01-10 Sai Mitheran , Abhinav Java , Surya Kant Sahu , Arshad Shaikh

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…

机器学习 · 计算机科学 2022-11-16 Gaichao Li , Jinsong Chen , Kun He

For automotive applications, the Graph Attention Network (GAT) is a prominently used architecture to include relational information of a traffic scenario during feature embedding. As shown in this work, however, one of the most popular GAT…

机器学习 · 计算机科学 2023-05-26 Marion Neumeier , Andreas Tollkühn , Sebastian Dorn , Michael Botsch , Wolfgang Utschick

Attention mechanisms have become a cornerstone in modern neural networks, driving breakthroughs across diverse domains. However, their application to graph structured data, where capturing topological connections is essential, remains…

机器学习 · 计算机科学 2025-09-19 Xuanting Xie , Bingheng Li , Erlin Pan , Rui Hou , Wenyu Chen , Zhao Kang

Graph Transformers, which incorporate self-attention and positional encoding, have recently emerged as a powerful architecture for various graph learning tasks. Despite their impressive performance, the complex non-convex interactions…

机器学习 · 计算机科学 2024-06-05 Hongkang Li , Meng Wang , Tengfei Ma , Sijia Liu , Zaixi Zhang , Pin-Yu Chen

Graph Transformers (GTs) have significantly advanced the field of graph representation learning by overcoming the limitations of message-passing graph neural networks (GNNs) and demonstrating promising performance and expressive power.…

机器学习 · 计算机科学 2024-05-07 Wenhao Zhu , Guojie Song , Liang Wang , Shaoguo Liu

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…

机器学习 · 计算机科学 2025-05-14 Hyowon Wi , Jeongwhan Choi , Noseong Park

Transformers have attained outstanding performance across various modalities, owing to their simple but powerful scaled-dot-product (SDP) attention mechanisms. Researchers have attempted to migrate Transformers to graph learning, but most…

机器学习 · 计算机科学 2026-01-30 Liheng Ma , Soumyasundar Pal , Yingxue Zhang , Philip H. S. Torr , Mark Coates

Graph Transformers excel in long-range dependency modeling, but generally require quadratic memory complexity in the number of nodes in an input graph, and hence have trouble scaling to large graphs. Sparse attention variants such as…

机器学习 · 计算机科学 2024-11-26 Hamed Shirzad , Honghao Lin , Balaji Venkatachalam , Ameya Velingker , David Woodruff , Danica Sutherland
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