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Graphene, due to its unique electronic structure favoring high carrier mobility, is considered a promising material for use in high-speed electronic devices in the post-silicon electronic era. For this reason, experimental research on…

Mesoscale and Nanoscale Physics · Physics 2020-09-17 Giovanni Spinelli , Patrizia Lamberti , Vincenzo Tucci , Francisco Pasadas , David Jiménez

Learning representations on large graphs is a long-standing challenge due to the inter-dependence nature. Transformers recently have shown promising performance on small graphs thanks to its global attention for capturing all-pair…

Machine Learning · Computer Science 2024-09-16 Qitian Wu , Kai Yang , Hengrui Zhang , David Wipf , Junchi Yan

Transformers have achieved remarkable success across domains, motivating the rise of Graph Transformers (GTs) as attention-based architectures for graph-structured data. A key design choice in GTs is the use of Graph Neural Network…

Machine Learning · Computer Science 2026-05-29 Javier Porras-Valenzuela , Zhiyang Wang , Xiaotao Shang , Yusu Wang , Alejandro Ribeiro

Whilst spectral Graph Neural Networks (GNNs) are theoretically well-founded in the spectral domain, their practical reliance on polynomial approximation implies a profound linkage to the spatial domain. As previous studies rarely examine…

Machine Learning · Computer Science 2024-09-17 Jingwei Guo , Kaizhu Huang , Xinping Yi , Zixian Su , Rui Zhang

Powerful as they are, graph neural networks (GNNs) are known to be vulnerable to distribution shifts. Recently, test-time adaptation (TTA) has attracted attention due to its ability to adapt a pre-trained model to a target domain, without…

Machine Learning · Computer Science 2025-02-13 Wenxuan Bao , Zhichen Zeng , Zhining Liu , Hanghang Tong , Jingrui He

The attention mechanism has demonstrated superior performance for inference over nodes in graph neural networks (GNNs), however, they result in a high computational burden during both training and inference. We propose FastGAT, a method to…

Machine Learning · Computer Science 2020-10-06 Rakshith S Srinivasa , Cao Xiao , Lucas Glass , Justin Romberg , Jimeng Sun

Graph Neural Networks (GNNs) have shown promising potential in graph representation learning. The majority of GNNs define a local message-passing mechanism, propagating information over the graph by stacking multiple layers. These methods,…

Machine Learning · Computer Science 2024-02-20 Ali Behrouz , Farnoosh Hashemi

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

Recently, Graph Transformers have emerged as a promising solution to alleviate the inherent limitations of Graph Neural Networks (GNNs) and enhance graph representation performance. Unfortunately, Graph Transformers are computationally…

Neural and Evolutionary Computing · Computer Science 2024-03-26 Yundong Sun , Dongjie Zhu , Yansong Wang , Zhaoshuo Tian , Ning Cao , Gregory O'Hared

Vision transformers have been applied successfully for image recognition tasks. There have been either multi-headed self-attention based (ViT \cite{dosovitskiy2020image}, DeIT, \cite{touvron2021training}) similar to the original work in…

Computer Vision and Pattern Recognition · Computer Science 2023-04-18 Badri N. Patro , Vinay P. Namboodiri , Vijay Srinivas Agneeswaran

Impressive performance of Transformer has been attributed to self-attention, where dependencies between entire input in a sequence are considered at every position. In this work, we reform the neural $n$-gram model, which focuses on only…

Computation and Language · Computer Science 2022-07-28 Mengsay Loem , Sho Takase , Masahiro Kaneko , Naoaki Okazaki

This paper aims to provide a novel design of a multiscale framelet convolution for spectral graph neural networks (GNNs). While current spectral methods excel in various graph learning tasks, they often lack the flexibility to adapt to…

Machine Learning · Computer Science 2024-07-30 Mengxi Yang , Dai Shi , Xuebin Zheng , Jie Yin , Junbin Gao

Recent progress in graph signal processing (GSP) has addressed a number of problems, including sampling and filtering. Proposed methods have focused on generic graphs and defined signals with certain characteristics, e.g., bandlimited…

Signal Processing · Electrical Eng. & Systems 2019-03-22 Benjamin Girault , Antonio Ortega

In recent years, significant efforts have been made to refine the design of Graph Neural Network (GNN) layers, aiming to overcome diverse challenges, such as limited expressive power and oversmoothing. Despite their widespread adoption, the…

Machine Learning · Computer Science 2024-11-04 Moshe Eliasof , Beatrice Bevilacqua , Carola-Bibiane Schönlieb , Haggai Maron

Spatial Transcriptomics (ST) provides spatially-resolved gene expression, offering crucial insights into tissue architecture and complex diseases. However, its prohibitive cost limits widespread adoption, leading to significant attention on…

Computer Vision and Pattern Recognition · Computer Science 2026-03-27 Taejin Jeong , Joohyeok Kim , Jinyeong Kim , Chanyoung Kim , Seong Jae Hwang

Graph Neural Networks (GNNs) are limited in their propagation operators. In many cases, these operators often contain non-negative elements only and are shared across channels, limiting the expressiveness of GNNs. Moreover, some GNNs suffer…

Machine Learning · Computer Science 2023-05-08 Moshe Eliasof , Lars Ruthotto , Eran Treister

Spectral Graph Neural Networks (GNNs) are gaining attention for their ability to surpass the limitations of message-passing GNNs. They rely on supervision from downstream tasks to learn spectral filters that capture the graph signal's…

Machine Learning · Computer Science 2024-05-24 Junjie Xu , Enyan Dai , Dongsheng Luo , Xiang Zhang , Suhang Wang

Spectral graph embedding plays a critical role in graph representation learning by generating low-dimensional vector representations from graph spectral information. However, the embedding space of traditional spectral embedding methods…

Machine Learning · Computer Science 2026-05-19 Changjie Sheng , Zhichao Zhang , Yangfan He

While graph heterophily has been extensively studied in recent years, a fundamental research question largely remains nascent: How and to what extent will graph heterophily affect the prediction performance of graph neural networks (GNNs)?…

Machine Learning · Computer Science 2023-06-27 Shuaicheng Zhang , Haohui Wang , Si Zhang , Dawei Zhou

Graph neural network (GNN) is effective to model graphs for distributed representations of nodes and an entire graph. Recently, research on the expressive power of GNN attracted growing attention. A highly-expressive GNN has the ability to…

Machine Learning · Computer Science 2022-03-01 Chengsheng Mao , Yuan Luo