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Message passing Graph Neural Networks (GNNs) are known to be limited in expressive power by the 1-WL color-refinement test for graph isomorphism. Other more expressive models either are computationally expensive or need preprocessing to…

Machine Learning · Computer Science 2024-02-01 Mohammed Haroon Dupty , Yanfei Dong , Wee Sun Lee

Graph spectral representations are fundamental in graph signal processing, offering a rigorous framework for analyzing and processing graph-structured data. The graph fractional Fourier transform (GFRFT) extends the classical graph Fourier…

Machine Learning · Statistics 2025-11-21 Feiyue Zhao , Yangfan He , Zhichao Zhang

Graph neural networks (GNNs), consisting of a cascade of layers applying a graph convolution followed by a pointwise nonlinearity, have become a powerful architecture to process signals supported on graphs. Graph convolutions (and thus,…

Machine Learning · Computer Science 2019-10-23 Fernando Gama , Joan Bruna , Alejandro Ribeiro

Variants of Graph Neural Networks (GNNs) for representation learning have been proposed recently and achieved fruitful results in various fields. Among them, Graph Attention Network (GAT) first employs a self-attention strategy to learn…

Machine Learning · Computer Science 2021-07-28 Heng Chang , Yu Rong , Tingyang Xu , Wenbing Huang , Somayeh Sojoudi , Junzhou Huang , Wenwu Zhu

Graph Convolutional Networks (GCNs) have been widely used due to their outstanding performance in processing graph-structured data. However, the undirected graphs limit their application scope. In this paper, we extend spectral-based graph…

Machine Learning · Computer Science 2020-04-30 Zekun Tong , Yuxuan Liang , Changsheng Sun , David S. Rosenblum , Andrew Lim

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

Graph Neural Networks (GNNs) have shown great ability in modeling graph-structured data for various domains. However, GNNs are known as black-box models that lack interpretability. Without understanding their inner working, we cannot fully…

Machine Learning · Computer Science 2022-10-06 Enyan Dai , Suhang Wang

Graph processes exhibit a temporal structure determined by the sequence index and and a spatial structure determined by the graph support. To learn from graph processes, an information processing architecture must then be able to exploit…

Signal Processing · Electrical Eng. & Systems 2020-12-02 Luana Ruiz , Fernando Gama , Alejandro Ribeiro

Graph convolutional neural networks (GCNNs) have been widely used in graph learning. It has been observed that the smoothness functional on graphs can be defined in terms of the graph Laplacian. This fact points out in the direction of…

Machine Learning · Computer Science 2020-09-30 Asif Salim , Sumitra S

Modeling molecular potential energy surface is of pivotal importance in science. Graph Neural Networks have shown great success in this field. However, their message passing schemes need special designs to capture geometric information and…

Machine Learning · Computer Science 2023-04-24 Xiyuan Wang , Muhan Zhang

Graph neural networks (GNNs) have achieved impressive impressions for graph-related tasks. However, most GNNs are primarily studied under the cases of signal domain with supervised training, which requires abundant task-specific labels and…

Machine Learning · Computer Science 2025-07-16 Jinhui Pang , Zixuan Wang , Jiliang Tang , Mingyan Xiao , Nan Yin

We introduce Spectral NSR, a fully spectral neuro-symbolic reasoning framework that embeds logical rules as spectral templates and performs inference directly in the graph spectral domain. By leveraging graph signal processing (GSP) and…

Artificial Intelligence · Computer Science 2025-09-10 Andrew Kiruluta , Priscilla Burity

Spherical equivariant graph neural networks (EGNNs) provide a principled framework for learning on three-dimensional molecular and biomolecular systems, where predictions must respect the rotational symmetries inherent in physics. These…

Machine Learning · Computer Science 2025-12-17 Sophia Tang

While convolutional neural nets (CNNs) have achieved remarkable performance for a wide range of inverse imaging applications, the filter coefficients are computed in a purely data-driven manner and are not explainable. Inspired by an…

Image and Video Processing · Electrical Eng. & Systems 2020-02-18 Weng-tai Su , Gene Cheung , Richard Wildes , Chia-Wen Lin

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating…

Machine Learning · Computer Science 2019-11-15 Rex Ying , Dylan Bourgeois , Jiaxuan You , Marinka Zitnik , Jure Leskovec

In recent years, spectral graph neural networks, characterized by polynomial filters, have garnered increasing attention and have achieved remarkable performance in tasks such as node classification. These models typically assume that…

Machine Learning · Computer Science 2025-02-25 Kangkang Lu , Yanhua Yu , Hao Fei , Xuan Li , Zixuan Yang , Zirui Guo , Meiyu Liang , Mengran Yin , Tat-Seng Chua

Convolutional neural networks (CNNs) have achieved great success on grid-like data such as images, but face tremendous challenges in learning from more generic data such as graphs. In CNNs, the trainable local filters enable the automatic…

Machine Learning · Computer Science 2018-09-05 Hongyang Gao , Zhengyang Wang , Shuiwang Ji

Convolutional neural networks have been widely applied to hyperspectral image classification. However, traditional convolutions can not effectively extract features for objects with irregular distributions. Recent methods attempt to address…

Computer Vision and Pattern Recognition · Computer Science 2023-04-07 Di Wang , Bo Du , Liangpei Zhang

Graph neural networks based on iterative one-hop message passing have been shown to struggle in harnessing the information from distant nodes effectively. Conversely, graph transformers allow each node to attend to all other nodes directly,…

Machine Learning · Computer Science 2024-06-06 Yuhui Ding , Antonio Orvieto , Bobby He , Thomas Hofmann

Graph convolutional network (GCN) is an emerging neural network approach. It learns new representation of a node by aggregating feature vectors of all neighbors in the aggregation process without considering whether the neighbors or…

Machine Learning · Computer Science 2022-04-01 Li Zhang , Heda Song , Nikolaos Aletras , Haiping Lu