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Typically, graph structures are represented by one of three different matrices: the adjacency matrix, the unnormalised and the normalised graph Laplacian matrices. The spectral (eigenvalue) properties of these different matrices are…

统计方法学 · 统计学 2020-01-27 J. F. Lutzeyer , A. T. Walden

While (message-passing) graph neural networks have clear limitations in approximating permutation-equivariant functions over graphs or general relational data, more expressive, higher-order graph neural networks do not scale to large…

机器学习 · 计算机科学 2022-08-31 Christopher Morris , Gaurav Rattan , Sandra Kiefer , Siamak Ravanbakhsh

We propose an end-to-end deep learning learning model for graph classification and representation learning that is invariant to permutation of the nodes of the input graphs. We address the challenge of learning a fixed size graph…

机器学习 · 计算机科学 2019-05-09 Peter Meltzer , Marcelo Daniel Gutierrez Mallea , Peter J. Bentley

This paper introduces SigMaNet, a generalized Graph Convolutional Network (GCN) capable of handling both undirected and directed graphs with weights not restricted in sign nor magnitude. The cornerstone of SigMaNet is the Sign-Magnetic…

机器学习 · 计算机科学 2023-01-03 Stefano Fiorini , Stefano Coniglio , Michele Ciavotta , Enza Messina

Equivariance encodes known symmetries into neural networks, often enhancing generalization. However, equivariant networks cannot break symmetries: the output of an equivariant network must, by definition, have at least the same…

机器学习 · 计算机科学 2025-03-31 Hannah Lawrence , Vasco Portilheiro , Yan Zhang , Sékou-Oumar Kaba

Given a signed bipartite graph (SBG) G with two disjoint node sets U and V, the goal of link sign prediction is to predict the signs of potential links connecting U and V based on known positive and negative edges in G. The majority of…

机器学习 · 计算机科学 2025-08-28 Hewen Wang , Renchi Yang , Xiaokui Xiao

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…

人工智能 · 计算机科学 2025-09-10 Andrew Kiruluta , Priscilla Burity

Spectral methods which represent data points by eigenvectors of kernel matrices or graph Laplacian matrices have been a primary tool in unsupervised data analysis. In many application scenarios, parametrizing the spectral embedding by a…

机器学习 · 统计学 2022-06-15 Ziyu Chen , Yingzhou Li , Xiuyuan Cheng

In this work we propose a new neural network architecture that efficiently implements and learns general purpose set-equivariant functions. Such a function f maps a set of entities x = {x1, . . . , xn} from one domain to a set of same…

机器学习 · 计算机科学 2019-09-23 Roland Vollgraf

Learning transformation invariant representations of visual data is an important problem in computer vision. Deep convolutional networks have demonstrated remarkable results for image and video classification tasks. However, they have…

计算机视觉与模式识别 · 计算机科学 2017-03-02 Renata Khasanova , Pascal Frossard

Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations,…

机器学习 · 计算机科学 2024-01-18 Marco Pacini , Xiaowen Dong , Bruno Lepri , Gabriele Santin

Spectral Graph Neural Networks (Spectral GNNs) for node classification promise frequency-domain filtering on graphs, yet rest on flawed foundations. Recent work shows that graph Laplacian eigenvectors do not in general have the key…

机器学习 · 计算机科学 2026-03-27 Qin Jiang , Chengjia Wang , Michael Lones , Dongdong Chen , Wei Pang

This paper pertains to an emerging machine learning paradigm: learning higher-order functions, i.e. functions whose inputs are functions themselves, $\textit{particularly when these inputs are Neural Networks (NNs)}$. With the growing…

机器学习 · 计算机科学 2024-10-31 Ioannis Kalogeropoulos , Giorgos Bouritsas , Yannis Panagakis

Signed Graph Neural Networks (SGNNs) have been shown to be effective in analyzing complex patterns in real-world situations where positive and negative links coexist. However, SGNN models suffer from poor explainability, which limit their…

机器学习 · 计算机科学 2024-12-13 Lu Li , Jiale Liu , Xingyu Ji , Maojun Wang , Zeyu Zhang

Designing effective positional encodings for graphs is key to building powerful graph transformers and enhancing message-passing graph neural networks. Although widespread, using Laplacian eigenvectors as positional encodings faces two…

机器学习 · 计算机科学 2024-06-11 Yinan Huang , William Lu , Joshua Robinson , Yu Yang , Muhan Zhang , Stefanie Jegelka , Pan Li

Spectral graph neural networks (GNNs) learn graph representations via spectral-domain graph convolutions. However, most existing spectral graph filters are scalar-to-scalar functions, i.e., mapping a single eigenvalue to a single filtered…

机器学习 · 计算机科学 2023-03-03 Deyu Bo , Chuan Shi , Lele Wang , Renjie Liao

Recent advances in integrating positional and structural encodings (PSEs) into graph neural networks (GNNs) have significantly enhanced their performance across various graph learning tasks. However, the general applicability of these…

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…

机器学习 · 计算机科学 2025-12-17 Sophia Tang

Graph neural networks (GNNs) are commonly described as being permutation equivariant with respect to node relabeling in the graph. This symmetry of GNNs is often compared to the translation equivariance of Euclidean convolution neural…

机器学习 · 统计学 2023-11-20 Ningyuan Huang , Ron Levie , Soledad Villar

Many learning problems involve symmetries, and while invariance can be built into neural architectures, it can also emerge implicitly when training on group-structured data. We study this phenomenon in classical Hopfield networks and show…

机器学习 · 计算机科学 2026-01-21 Michael Murray , Tenzin Chan , Kedar Karhadker , Christopher J. Hillar