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Graph Neural Networks (GNNs) have evolved to understand graph structures through recursive exchanges and aggregations among nodes. To enhance robustness, self-supervised learning (SSL) has become a vital tool for data augmentation.…

Computation and Language · Computer Science 2024-05-08 Jiabin Tang , Yuhao Yang , Wei Wei , Lei Shi , Lixin Su , Suqi Cheng , Dawei Yin , Chao Huang

Recently, the paradigm of pre-training and fine-tuning graph neural networks has been intensively studied and applied in a wide range of graph mining tasks. Its success is generally attributed to the structural consistency between…

Machine Learning · Computer Science 2023-12-22 Yifei Sun , Qi Zhu , Yang Yang , Chunping Wang , Tianyu Fan , Jiajun Zhu , Lei Chen

Graph limit models, like graphons for limits of dense graphs, have recently been used to study size transferability of graph neural networks (GNNs). While most literature focuses on message passing GNNs (MPNNs), in this work we attend to…

Machine Learning · Computer Science 2025-05-20 Daniel Herbst , Stefanie Jegelka

We propose a scalable Gromov-Wasserstein learning (S-GWL) method and establish a novel and theoretically-supported paradigm for large-scale graph analysis. The proposed method is based on the fact that Gromov-Wasserstein discrepancy is a…

Machine Learning · Computer Science 2019-10-10 Hongteng Xu , Dixin Luo , Lawrence Carin

Objective: In modern healthcare, accurately predicting diseases is a crucial matter. This study introduces a novel approach using graph neural networks (GNNs) and a Graph Transformer (GT) to predict the incidence of heart failure (HF) on a…

Machine Learning · Computer Science 2025-06-23 Heloisa Oss Boll , Ali Amirahmadi , Amira Soliman , Stefan Byttner , Mariana Recamonde-Mendoza

The scattering transform is a multilayered wavelet-based deep learning architecture that acts as a model of convolutional neural networks. Recently, several works have introduced generalizations of the scattering transform for non-Euclidean…

Machine Learning · Statistics 2023-06-30 Michael Perlmutter , Alexander Tong , Feng Gao , Guy Wolf , Matthew Hirn

Although recent advances in higher-order Graph Neural Networks (GNNs) improve the theoretical expressiveness and molecular property predictive performance, they often fall short of the empirical performance of models that explicitly use…

Machine Learning · Computer Science 2024-07-26 Tom Wollschläger , Niklas Kemper , Leon Hetzel , Johanna Sommer , Stephan Günnemann

Generalised hypertree width ($ghw$) is a hypergraph parameter that is central to the tractability of many prominent problems with natural hypergraph structure. Computing $ghw$ of a hypergraph is notoriously hard. The decision version of the…

Data Structures and Algorithms · Computer Science 2024-01-09 Matthias Lanzinger , Igor Razgon

Graph Gaussian Processes (GGPs) provide a data-efficient solution on graph structured domains. Existing approaches have focused on static structures, whereas many real graph data represent a dynamic structure, limiting the applications of…

Machine Learning · Computer Science 2021-11-04 David Blanco-Mulero , Markus Heinonen , Ville Kyrki

The embodied intelligence bridges the physical world and information space. As its typical physical embodiment, humanoid robots have shown great promise through robot learning algorithms in recent years. In this study, a hardware platform,…

Robotics · Computer Science 2025-10-17 Jiaxin Huang , Hanyu Liu , Yunsheng Ma , Jian Shen , Yilin Zheng , Jiayi Wen , Baishu Wan , Pan Li , Zhigong Song

We present a new version of the fast Gauss transform (FGT) for discrete and continuous sources. Classical Hermite expansions are avoided entirely, making use only of the plane-wave representation of the Gaussian kernel and a new…

Numerical Analysis · Mathematics 2023-05-15 Leslie Greengard , Shidong Jiang , Manas Rachh , Jun Wang

This paper introduces a novel Laplacian matrix aiming to enable the construction of spectral convolutional networks and to extend the signal processing applications for directed graphs. Our proposal is inspired by a Haar-like transformation…

Machine Learning · Computer Science 2025-10-02 Theodor-Adrian Badea , Bogdan Dumitrescu

As powerful tools for representation learning on graphs, graph neural networks (GNNs) have facilitated various applications from drug discovery to recommender systems. Nevertheless, the effectiveness of GNNs is immensely challenged by…

Machine Learning · Computer Science 2023-02-28 Wei Jin , Tong Zhao , Jiayuan Ding , Yozen Liu , Jiliang Tang , Neil Shah

In this paper, we introduce HoughToRadon Transform layer, a novel layer designed to improve the speed of neural networks incorporated with Hough Transform to solve semantic image segmentation problems. By placing it after a Hough Transform…

Computer Vision and Pattern Recognition · Computer Science 2024-02-06 Alexandra Zhabitskaya , Alexander Sheshkus , Vladimir L. Arlazarov

Recent work in graph models has found that probabilistic hyperedge replacement grammars (HRGs) can be extracted from graphs and used to generate new random graphs with graph properties and substructures close to the original. In this paper,…

Social and Information Networks · Computer Science 2018-06-22 Xinyi Wang , Salvador Aguinaga , Tim Weninger , David Chiang

We introduce the Graded Transformer framework, a new class of sequence models that embeds algebraic inductive biases through grading transformations on vector spaces. Extending Graded Neural Networks (GNNs), we propose two architectures:…

Machine Learning · Computer Science 2025-09-03 Tony Shaska

Soft, porous mechanical metamaterials exhibit pattern transformations that may have important applications in soft robotics, sound reduction and biomedicine. To design these innovative materials, it is important to be able to simulate them…

Soft Condensed Matter · Physics 2025-03-14 Fleur Hendriks , Vlado Menkovski , Martin Doškář , Marc G. D. Geers , Ondřej Rokoš

Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this…

Machine Learning · Computer Science 2023-06-06 Omri Puny , Derek Lim , Bobak T. Kiani , Haggai Maron , Yaron Lipman

Graph similarity learning (GSL), also referred to as graph matching in many scenarios, is a fundamental problem in computer vision, pattern recognition, and graph learning. However, previous GSL methods assume that graphs are homogeneous…

Machine Learning · Computer Science 2025-03-13 Shilong Sang , Ke-Jia Chen , Zheng liu

Optimal transport between graphs, based on Gromov-Wasserstein and other extensions, is a powerful tool for comparing and aligning graph structures. However, solving the associated non-convex optimization problems is computationally…

Machine Learning · Computer Science 2025-07-09 Sonia Mazelet , Rémi Flamary , Bertrand Thirion
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