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Graph neural networks (GNNs) provide state-of-the-art results in a wide variety of tasks which typically involve predicting features at the vertices of a graph. They are built from layers of graph convolutions which serve as a powerful…

Machine Learning · Statistics 2024-11-08 Mauricio Velasco , Kaiying O'Hare , Bernardo Rychtenberg , Soledad Villar

Transformers are increasingly employed for graph data, demonstrating competitive performance in diverse tasks. To incorporate graph information into these models, it is essential to enhance node and edge features with positional encodings.…

We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer with linear complexity and state-of-the-art results on a diverse set of benchmarks. Graph Transformers (GTs) have gained popularity in the field of…

Machine Learning · Computer Science 2023-01-18 Ladislav Rampášek , Mikhail Galkin , Vijay Prakash Dwivedi , Anh Tuan Luu , Guy Wolf , Dominique Beaini

Graph Neural Networks (GNNs) are the dominant architecture for molecular machine learning, particularly for molecular property prediction and machine learning interatomic potentials (MLIPs). GNNs perform message passing on predefined graphs…

Machine Learning · Computer Science 2025-10-03 Tobias Kreiman , Yutong Bai , Fadi Atieh , Elizabeth Weaver , Eric Qu , Aditi S. Krishnapriyan

Network data can be conveniently modeled as a graph signal, where data values are assigned to nodes of a graph that describes the underlying network topology. Successful learning from network data is built upon methods that effectively…

Machine Learning · Computer Science 2021-05-26 Fernando Gama , Elvin Isufi , Geert Leus , Alejandro Ribeiro

Graph Neural Networks (GNNs) have shown impressive performance in graph representation learning, but they face challenges in capturing long-range dependencies due to their limited expressive power. To address this, Graph Transformers (GTs)…

Machine Learning · Computer Science 2024-06-19 Kaan Sancak , Zhigang Hua , Jin Fang , Yan Xie , Andrey Malevich , Bo Long , Muhammed Fatih Balin , Ümit V. Çatalyürek

Graph Neural Networks (GNNs) have emerged as promising solutions for collaborative filtering (CF) through the modeling of user-item interaction graphs. The nucleus of existing GNN-based recommender systems involves recursive message passing…

Machine Learning · Computer Science 2024-05-21 Peiyan Zhang , Yuchen Yan , Xi Zhang , Chaozhuo Li , Senzhang Wang , Feiran Huang , Sunghun Kim

We introduce an architecture for processing signals supported on hypergraphs via graph neural networks (GNNs), which we call a Hyper-graph Expansion Neural Network (HENN), and provide the first bounds on the stability and transferability…

Machine Learning · Computer Science 2022-12-14 Mikhail Hayhoe , Hans Riess , Victor M. Preciado , Alejandro Ribeiro

We study spectral graph convolutional neural networks (GCNNs), where filters are defined as continuous functions of the graph shift operator (GSO) through functional calculus. A spectral GCNN is not tailored to one specific graph and can be…

Machine Learning · Computer Science 2022-06-28 Sohir Maskey , Ron Levie , Gitta Kutyniok

Graph Neural Networks are notorious for its memory consumption. A recent Transformer-based GNN called Graph Transformer is shown to obtain superior performances when long range dependencies exist. However, combining graph data and…

Machine Learning · Computer Science 2024-03-25 Eugene Ku

Graph neural networks (GNNs) provide a powerful and scalable solution for modeling continuous spatial data. However, they often rely on Euclidean distances to construct the input graphs. This assumption can be improbable in many real-world…

Machine Learning · Computer Science 2023-02-20 Konstantin Klemmer , Nathan Safir , Daniel B. Neill

Graph Neural Networks (GNNs) have become the state-of-the-art method for many applications on graph structured data. GNNs are a model for graph representation learning, which aims at learning to generate low dimensional node embeddings that…

Machine Learning · Computer Science 2022-05-23 Davide Buffelli , Fabio Vandin

Graph Transformers (GTs) have shown strong empirical performance, yet current architectures vary widely in their use of attention mechanisms, positional embeddings (PEs), and expressivity. Existing expressivity results are often tied to…

Machine Learning · Computer Science 2025-11-12 Timo Stoll , Luis Müller , Christopher Morris

We propose a framework that automatically transforms non-scalable GNNs into precomputation-based GNNs which are efficient and scalable for large-scale graphs. The advantages of our framework are two-fold; 1) it transforms various…

Machine Learning · Computer Science 2022-07-26 Seiji Maekawa , Yuya Sasaki , George Fletcher , Makoto Onizuka

Graph neural networks (GNNs) have significantly improved the representation power for graph-structured data. Despite of the recent success of GNNs, the graph convolution in most GNNs have two limitations. Since the graph convolution is…

Machine Learning · Computer Science 2021-12-30 Jinyoung Park , Sungdong Yoo , Jihwan Park , Hyunwoo J. Kim

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 Neural Networks (GNNs) have become powerful tools for learning from graph-structured data, finding applications across diverse domains. However, as graph sizes and connectivity increase, standard GNN training methods face significant…

Machine Learning · Computer Science 2025-12-01 Eshed Gal , Moshe Eliasof , Carola-Bibiane Schönlieb , Ivan I. Kyrchei , Eldad Haber , Eran Treister

The growing complexity of wireless systems has accelerated the move from traditional methods to learning-based solutions. Graph Neural Networks (GNNs) are especially well-suited here, since wireless networks can be naturally represented as…

Signal Processing · Electrical Eng. & Systems 2025-10-02 Romina Garcia Camargo , Zhiyang Wang , Alejandro Ribeiro

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

Graph Neural Networks (GNNs) have emerged as powerful tools for learning on graph-structured data, but often struggle to balance local and global information. While graph Transformers aim to address this by enabling long-range interactions,…

Machine Learning · Computer Science 2025-11-18 Jeongwhan Choi , Seungjun Park , Sumin Park , Sung-Bae Cho , Noseong Park