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We propose a new graph neural network (GNN) module, based on relaxations of recently proposed geometric scattering transforms, which consist of a cascade of graph wavelet filters. Our learnable geometric scattering (LEGS) module enables…

Machine Learning · Computer Science 2022-03-29 Alexander Tong , Frederik Wenkel , Kincaid MacDonald , Smita Krishnaswamy , Guy Wolf

Learning to represent and simulate the dynamics of physical systems is a crucial yet challenging task. Existing equivariant Graph Neural Network (GNN) based methods have encapsulated the symmetry of physics, \emph{e.g.}, translations,…

Machine Learning · Computer Science 2024-06-11 Liming Wu , Zhichao Hou , Jirui Yuan , Yu Rong , Wenbing Huang

Graph Neural Networks (GNNs) are powerful tools for processing relational data but often struggle to generalize to unseen graphs, giving rise to the development of Graph Foundational Models (GFMs). However, current GFMs are challenged by…

Machine Learning · Computer Science 2026-05-25 Weishuo Ma , Yanbo Wang , Xiyuan Wang , Lei Zou , Muhan Zhang

This study presents a Graph Neural Networks (GNNs)-based approach for predicting the effective elastic moduli of rocks from their digital CT-scan images. We use the Mapper algorithm to transform 3D digital rock images into graph datasets,…

Machine Learning · Computer Science 2024-01-04 Jaehong Chung , Rasool Ahmad , WaiChing Sun , Wei Cai , Tapan Mukerji

A desireable property of accelerometric gait-based identification systems is robustness to new device orientations presented by users during testing but unseen during the training phase. However, traditional Convolutional neural networks…

Computer Vision and Pattern Recognition · Computer Science 2020-08-18 Bowen Jing , Vinay Prabhu , Angela Gu , John Whaley

Interest has been rising lately towards methods representing data in non-Euclidean spaces, e.g. hyperbolic or spherical, that provide specific inductive biases useful for certain real-world data properties, e.g. scale-free, hierarchical or…

Machine Learning · Computer Science 2020-05-20 Gregor Bachmann , Gary Bécigneul , Octavian-Eugen Ganea

Graph Transformer has recently received wide attention in the research community with its outstanding performance, yet its structural expressive power has not been well analyzed. Inspired by the connections between Weisfeiler-Lehman (WL)…

Machine Learning · Computer Science 2023-05-24 Wenhao Zhu , Tianyu Wen , Guojie Song , Liang Wang , Bo Zheng

Despite recent successes in natural language processing and computer vision, Transformer suffers from the scalability problem when dealing with graphs. The computational complexity is unacceptable for large-scale graphs, e.g., knowledge…

Machine Learning · Computer Science 2022-02-23 Lingbing Guo , Qiang Zhang , Huajun Chen

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

Temporal link prediction in dynamic graphs is a critical task with applications in diverse domains such as social networks, recommendation systems, and e-commerce platforms. While existing Temporal Graph Neural Networks (T-GNNs) have…

Artificial Intelligence · Computer Science 2025-07-21 Haoyang Li , Yuming Xu , Yiming Li , Hanmo Liu , Darian Li , Chen Jason Zhang , Lei Chen , Qing Li

The success of current Entity Alignment (EA) task depends largely on the supervision information provided by labeled data. Considering the cost of labeled data, most supervised methods are difficult to apply in practical scenarios.…

Artificial Intelligence · Computer Science 2025-06-10 Weishan Cai , Wenjun Ma , Yuncheng Jiang

Estimating the depths of equirectangular (i.e., 360) images (EIs) is challenging given the distorted 180 x 360 field-of-view, which is hard to be addressed via convolutional neural network (CNN). Although a transformer with global attention…

Computer Vision and Pattern Recognition · Computer Science 2023-09-08 Ilwi Yun , Chanyong Shin , Hyunku Lee , Hyuk-Jae Lee , Chae Eun Rhee

Graph convolutional networks (GCNs) enable end-to-end learning on graph structured data. However, many works assume a given graph structure. When the input graph is noisy or unavailable, one approach is to construct or learn a latent graph…

Computer Vision and Pattern Recognition · Computer Science 2023-07-19 Avishkar Saha , Oscar Mendez , Chris Russell , Richard Bowden

Graph convolutional networks (GCNs) have emerged as dominant methods for skeleton-based action recognition. However, they still suffer from two problems, namely, neighborhood constraints and entangled spatiotemporal feature representations.…

Computer Vision and Pattern Recognition · Computer Science 2022-01-11 Ruwen Bai , Min Li , Bo Meng , Fengfa Li , Miao Jiang , Junxing Ren , Degang Sun

Graph Neural Networks (GNNs) and their message passing framework that leverages both structural and feature information, have become a standard method for solving graph-based machine learning problems. However, these approaches still…

Machine Learning · Computer Science 2024-11-20 Simon Delarue , Thomas Bonald , Tiphaine Viard

Graph transformers (GTs) have emerged as a promising architecture that is theoretically more expressive than message-passing graph neural networks (GNNs). However, typical GT models have at least quadratic complexity and thus cannot scale…

Machine Learning · Computer Science 2024-04-09 Chenhui Deng , Zichao Yue , Zhiru Zhang

Deep neural networks are being increasingly used for short-term traffic flow prediction, which can be generally categorized as convolutional (CNNs) or graph neural networks (GNNs). CNNs are preferable for region-wise traffic prediction by…

Physics and Society · Physics 2021-10-12 Wei Zeng , Chengqiao Lin , Kang Liu , Juncong Lin , Anthony K. H. Tung

Graph Neural Networks (GNNs) have achieved outstanding performance across a wide range of graph-related tasks. However, their "black-box" nature poses significant challenges to their explainability, and existing methods often fail to…

Machine Learning · Computer Science 2025-07-25 Lijun Wu , Dong Hao , Zhiyi Fan

Graph neural networks (GNNs) are designed to extract latent patterns from graph-structured data, making them particularly well suited for crystal representation learning. Here, we propose a GNN model tailored for estimating electronic…

Materials Science · Physics 2026-04-07 Yuxuan Zeng , Wei Cao , Yijing Zuo , Fang Lyu , Wenhao Xie , Tan Peng , Yue Hou , Ling Miao , Ziyu Wang , Jing Shi

Disentangled Graph Convolutional Network (DisenGCN) is an encouraging framework to disentangle the latent factors arising in a real-world graph. However, it relies on disentangling information heavily from a local range (i.e., a node and…

Machine Learning · Computer Science 2023-12-15 Jingwei Guo , Kaizhu Huang , Xinping Yi , Rui Zhang
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