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Traditional Graph Self-Supervised Learning (GSSL) struggles to capture complex structural properties well. This limitation stems from two main factors: (1) the inadequacy of conventional Graph Neural Networks (GNNs) in representing…

Machine Learning · Computer Science 2025-02-25 Asiri Wijesinghe , Hao Zhu , Piotr Koniusz

We introduce Graph-Induced Sum-Product Networks (GSPNs), a new probabilistic framework for graph representation learning that can tractably answer probabilistic queries. Inspired by the computational trees induced by vertices in the context…

Machine Learning · Computer Science 2024-02-19 Federico Errica , Mathias Niepert

State-of-the-art Graph Neural Networks (GNNs) have limited scalability with respect to the graph and model sizes. On large graphs, increasing the model depth often means exponential expansion of the scope (i.e., receptive field). Beyond…

Graph neural networks (GNNs) have achieved remarkable success across a wide range of applications, such as recommendation, drug discovery, and question answering. Behind the success of GNNs lies the backpropagation (BP) algorithm, which is…

Machine Learning · Computer Science 2024-04-16 Namyong Park , Xing Wang , Antoine Simoulin , Shuai Yang , Grey Yang , Ryan Rossi , Puja Trivedi , Nesreen Ahmed

Sparse matrix computations are ubiquitous in scientific computing. With the recent interest in scientific machine learning, it is natural to ask how sparse matrix computations can leverage neural networks (NN). Unfortunately, multi-layer…

Numerical Analysis · Mathematics 2023-10-24 Nicholas S. Moore , Eric C. Cyr , Peter Ohm , Christopher M. Siefert , Raymond S. Tuminaro

Many interesting datasets ubiquitous in machine learning and deep learning can be described via graphs. As the scale and complexity of graph-structured datasets increase, such as in expansive social networks, protein folding, chemical…

Machine Learning · Computer Science 2021-04-06 Matthew T. Dearing , Xiaoyan Wang

Current methods of graph signal processing rely heavily on the specific structure of the underlying network: the shift operator and the graph Fourier transform are both derived directly from a specific graph. In many cases, the network is…

Signal Processing · Electrical Eng. & Systems 2023-03-31 Kathryn Beck , Mahya Ghandehari , Jeannette Janssen , Nauzer Kalyaniwalla

Graphons, as limits of graph sequences, provide an operator-theoretic framework for analyzing the asymptotic behavior of graph neural operators. Spectral convergence of sampled graphs to graphons induces convergence of the corresponding…

Machine Learning · Statistics 2026-05-26 Roxanne Holden , Luana Ruiz

Graph signal processing analyzes signals supported on the nodes of a graph by defining the shift operator in terms of a matrix, such as the graph adjacency matrix or Laplacian matrix, related to the structure of the graph. With respect to…

Signal Processing · Electrical Eng. & Systems 2018-03-01 Stephen Kruzick , José M. F. Moura

Graph Neural Networks (GNNs) have emerged as highly successful tools for graph-related tasks. However, real-world problems involve very large graphs, and the compute resources needed to fit GNNs to those problems grow rapidly. Moreover, the…

Machine Learning · Computer Science 2021-11-11 Eitan Kosman , Joel Oren , Dotan Di Castro

Graph Neural Networks (GNNs) are powerful models that can manage complex data sources and their interconnection links. One of GNNs' main drawbacks is their lack of interpretability, which limits their application in sensitive fields. In…

Machine Learning · Computer Science 2026-03-24 Salvatore Calderaro , Domenico Amato , Giosuè Lo Bosco , Riccardo Rizzo , Filippo Vella

Graph neural networks (GNNs) are popular machine learning models for graphs with many applications across scientific domains. However, GNNs are considered black box models, and it is challenging to understand how the model makes…

Machine Learning · Computer Science 2025-01-20 Selahattin Akkas , Ariful Azad

Graph Neural Networks (GNNs) have recently been explored as surrogate models for numerical simulations. While their applications in computational fluid dynamics have been investigated, little attention has been given to structural problems,…

Machine Learning · Computer Science 2025-10-30 Alessandro Lucchetti , Francesco Cadini , Marco Giglio , Luca Lomazzi

This paper follows cognitive studies to investigate a graph representation for sketches, where the information of strokes, i.e., parts of a sketch, are encoded on vertices and information of inter-stroke on edges. The resultant graph…

Computer Vision and Pattern Recognition · Computer Science 2022-04-29 Sheng Cheng , Yi Ren , Yezhou Yang

Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in…

Machine Learning · Computer Science 2023-02-21 Andrea Cini , Ivan Marisca , Filippo Maria Bianchi , Cesare Alippi

Despite remarkable success in diverse web-based applications, Graph Neural Networks(GNNs) inherit and further exacerbate historical discrimination and social stereotypes, which critically hinder their deployments in high-stake domains such…

Machine Learning · Computer Science 2025-01-28 Ying Song , Balaji Palanisamy

Spatial Message Passing Graph Neural Networks (MPGNNs) are widely used for learning on graph-structured data. However, key limitations of l-step MPGNNs are that their "receptive field" is typically limited to the l-hop neighborhood of a…

Machine Learning · Computer Science 2024-06-04 Simon Geisler , Arthur Kosmala , Daniel Herbst , Stephan Günnemann

Graph Attention Networks (GATs) have been intensively studied and widely used in graph data learning tasks. Existing GATs generally adopt the self-attention mechanism to conduct graph edge attention learning, requiring expensive…

Neural and Evolutionary Computing · Computer Science 2022-09-28 Beibei Wang , Bo Jiang

Graph neural networks (GNNs) are powerful tools on graph data. However, their predictions are mis-calibrated and lack interpretability, limiting their adoption in critical applications. To address this issue, we propose a new…

Machine Learning · Computer Science 2025-08-26 Lingkai Kong , Haotian Sun , Yuchen Zhuang , Haorui Wang , Wenhao Mu , Chao Zhang

After an acute stroke, accurately estimating stroke severity is crucial for healthcare professionals to effectively manage patient's treatment. Graph theory methods have shown that brain connectivity undergoes frequency-dependent…

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