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Recently, Transformers for graph representation learning have become increasingly popular, achieving state-of-the-art performance on a wide-variety of graph datasets, either alone or in combination with message-passing graph neural networks…

Machine Learning · Computer Science 2024-05-07 Ayush Garg

Transformers were originally proposed as a sequence-to-sequence model for text but have become vital for a wide range of modalities, including images, audio, video, and undirected graphs. However, transformers for directed graphs are a…

Machine Learning · Computer Science 2023-09-01 Simon Geisler , Yujia Li , Daniel Mankowitz , Ali Taylan Cemgil , Stephan Günnemann , Cosmin Paduraru

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…

Machine Learning · Computer Science 2021-11-25 Chengxuan Ying , Tianle Cai , Shengjie Luo , Shuxin Zheng , Guolin Ke , Di He , Yanming Shen , Tie-Yan Liu

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…

Machine Learning · Computer Science 2021-06-11 Grégoire Mialon , Dexiong Chen , Margot Selosse , Julien Mairal

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…

Computation and Language · Computer Science 2023-10-30 James Henderson , Alireza Mohammadshahi , Andrei C. Coman , Lesly Miculicich

Transformers have achieved remarkable success in time series modeling, yet their internal mechanisms remain opaque. This work demystifies the Transformer encoder by establishing its fundamental equivalence to a Graph Convolutional Network…

Machine Learning · Computer Science 2025-10-21 Chen Zhang , Weixin Bu , Wendong Xu , Runsheng Yu , Yik-Chung Wu , Ngai Wong

Proposing an effective and flexible matrix to represent a graph is a fundamental challenge that has been explored from multiple perspectives, e.g., filtering in Graph Fourier Transforms. In this work, we develop a novel and general…

Machine Learning · Computer Science 2023-05-11 Mingqi Yang , Wenjie Feng , Yanming Shen , Bryan Hooi

We propose a combination of a variational autoencoder and a transformer based model which fully utilises graph convolutional and graph pooling layers to operate directly on graphs. The transformer model implements a novel node encoding…

Machine Learning · Computer Science 2021-04-12 Joshua Mitton , Hans M. Senn , Klaas Wynne , Roderick Murray-Smith

Transformers often fail to learn generalizable algorithms, instead relying on brittle heuristics. Using graph connectivity as a testbed, we explain this phenomenon both theoretically and empirically. We consider a simplified Transformer…

Machine Learning · Computer Science 2026-02-19 Qilin Ye , Deqing Fu , Robin Jia , Vatsal Sharan

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…

Machine Learning · Computer Science 2024-06-05 Hongkang Li , Meng Wang , Tengfei Ma , Sijia Liu , Zaixi Zhang , Pin-Yu Chen

Implementing linear transformations is a key task in the decentralized signal processing framework, which performs learning tasks on data sets distributed over multi-node networks. That kind of network can be represented by a graph.…

Signal Processing · Electrical Eng. & Systems 2020-11-24 Siavash Mollaebrahim , Baltasar Beferull-Lozano

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…

Machine Learning · Computer Science 2025-06-30 Chaitanya K. Joshi

Graph diffusion models achieve state-of-the-art performance in graph generation but suffer from quadratic complexity in the number of nodes -- and much of their capacity is wasted modeling the absence of edges in sparse graphs. Inspired by…

Machine Learning · Computer Science 2026-05-13 Antoine Siraudin , Christopher Morris

Which transformer scaling regimes are able to perfectly solve different classes of algorithmic problems? While tremendous empirical advances have been attained by transformer-based neural networks, a theoretical understanding of their…

Recently, Transformer model, which has achieved great success in many artificial intelligence fields, has demonstrated its great potential in modeling graph-structured data. Till now, a great variety of Transformers has been proposed to…

Machine Learning · Computer Science 2022-02-18 Erxue Min , Runfa Chen , Yatao Bian , Tingyang Xu , Kangfei Zhao , Wenbing Huang , Peilin Zhao , Junzhou Huang , Sophia Ananiadou , Yu Rong

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…

Machine Learning · Computer Science 2023-05-15 Bo Jiang , Fei Xu , Ziyan Zhang , Jin Tang , Feiping Nie

Recently, transformer architectures for graphs emerged as an alternative to established techniques for machine learning with graphs, such as (message-passing) graph neural networks. So far, they have shown promising empirical results, e.g.,…

Machine Learning · Computer Science 2024-04-01 Luis Müller , Mikhail Galkin , Christopher Morris , Ladislav Rampášek

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However,…

We propose a generalization of transformer neural network architecture for arbitrary graphs. The original transformer was designed for Natural Language Processing (NLP), which operates on fully connected graphs representing all connections…

Machine Learning · Computer Science 2021-01-26 Vijay Prakash Dwivedi , Xavier Bresson

Graph inference plays an essential role in machine learning, pattern recognition, and classification. Signal processing based approaches in literature generally assume some variational property of the observed data on the graph. We make a…

Information Theory · Computer Science 2020-08-24 B. Subbareddy , Aditya Siripuram , Jingxin Zhang
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