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We establish connections between the Transformer architecture, originally introduced for natural language processing, and Graph Neural Networks (GNNs) for representation learning on graphs. We show how Transformers can be viewed as message…

机器学习 · 计算机科学 2025-06-30 Chaitanya K. Joshi

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

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

Traffic forecasting is an indispensable part of Intelligent transportation systems (ITS), and long-term network-wide accurate traffic speed forecasting is one of the most challenging tasks. Recently, deep learning methods have become…

人工智能 · 计算机科学 2021-04-13 Haoyang Yan , Xiaolei Ma

The growing use of deep learning necessitates efficient network design and deployment, making neural predictors vital for estimating attributes such as accuracy and latency. Recently, Graph Neural Networks (GNNs) and transformers have shown…

机器学习 · 计算机科学 2025-07-02 Ruihan Xu , Haokui Zhang , Yaowei Wang , Wei Zeng , Shiliang Zhang

In this work, we have proposed an approach for improving the GCN for predicting ratings in social networks. Our model is expanded from the standard model with several layers of transformer architecture. The main focus of the paper is on the…

机器学习 · 计算机科学 2024-01-15 Thi Linh Hoang , Tuan Dung Pham , Viet Cuong Ta

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

To alleviate the local receptive issue of GCN, Transformers have been exploited to capture the long range dependences of nodes for graph data representation and learning. However, existing graph Transformers generally employ regular…

机器学习 · 计算机科学 2023-05-15 Bo Jiang , Fei Xu , Ziyan Zhang , Jin Tang , Feiping Nie

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

We show theoretically and empirically that the linear Transformer, when applied to graph data, can implement algorithms that solve canonical problems such as electric flow and eigenvector decomposition. The Transformer has access to…

机器学习 · 计算机科学 2025-03-04 Xiang Cheng , Lawrence Carin , Suvrit Sra

The Transformer architecture has become a dominant choice in many domains, such as natural language processing and computer vision. Yet, it has not achieved competitive performance on popular leaderboards of graph-level prediction compared…

机器学习 · 计算机科学 2021-11-25 Chengxuan Ying , Tianle Cai , Shengjie Luo , Shuxin Zheng , Guolin Ke , Di He , Yanming Shen , Tie-Yan Liu

Recurrent Neural Networks were, until recently, one of the best ways to capture the timely dependencies in sequences. However, with the introduction of the Transformer, it has been proven that an architecture with only attention-mechanisms…

机器学习 · 计算机科学 2021-08-19 Radostin Cholakov , Todor Kolev

The complex spatial-temporal correlations in transportation networks make the traffic forecasting problem challenging. Since transportation system inherently possesses graph structures, many research efforts have been put with graph neural…

机器学习 · 计算机科学 2024-03-22 Yuyol Shin , Yoonjin Yoon

We show that viewing graphs as sets of node features and incorporating structural and positional information into a transformer architecture is able to outperform representations learned with classical graph neural networks (GNNs). Our…

机器学习 · 计算机科学 2021-06-11 Grégoire Mialon , Dexiong Chen , Margot Selosse , Julien Mairal

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…

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,…

神经与进化计算 · 计算机科学 2025-04-03 Limei Wang , Kaveh Hassani , Si Zhang , Dongqi Fu , Baichuan Yuan , Weilin Cong , Zhigang Hua , Hao Wu , Ning Yao , Bo Long

Adversarial attacks present a significant risk to the integrity and performance of graph neural networks, particularly in tasks where graph structure and node features are vulnerable to manipulation. In this paper, we present a novel model,…

机器学习 · 计算机科学 2025-11-04 Shakib Khan , A. Ben Hamza , Amr Youssef

The dominant paradigm for machine learning on graphs uses Message Passing Graph Neural Networks (MP-GNNs), in which node representations are updated by aggregating information in their local neighborhood. Recently, there have been…

机器学习 · 计算机科学 2023-03-02 Daniel Glickman , Eran Yahav

The Vision Transformer has emerged as a powerful tool for image classification tasks, surpassing the performance of convolutional neural networks (CNNs). Recently, many researchers have attempted to understand the robustness of Transformers…

计算机视觉与模式识别 · 计算机科学 2023-12-18 Gihyun Kim , Juyeop Kim , Jong-Seok Lee

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…

机器学习 · 计算机科学 2024-04-25 Chuang Liu , Zelin Yao , Yibing Zhan , Xueqi Ma , Shirui Pan , Wenbin Hu
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