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This article aims to study the topological invariant properties encoded in node graph representational embeddings by utilizing tools available in persistent homology. Specifically, given a node embedding representation algorithm, we…

Machine Learning · Computer Science 2021-10-12 Mustafa Hajij , Ghada Zamzmi , Xuanting Cai

Designing expressive Graph Neural Networks (GNNs) is a central topic in learning graph-structured data. While numerous approaches have been proposed to improve GNNs in terms of the Weisfeiler-Lehman (WL) test, generally there is still a…

Machine Learning · Computer Science 2024-02-13 Bohang Zhang , Shengjie Luo , Liwei Wang , Di He

Graph Neural Networks (GNNs) are effective tools for graph representation learning. Most GNNs rely on a recursive neighborhood aggregation scheme, named message passing, thereby their theoretical expressive power is limited to the…

Machine Learning · Computer Science 2023-09-19 Dingmin Wang , Shengchao Liu , Hanchen Wang , Bernardo Cuenca Grau , Linfeng Song , Jian Tang , Song Le , Qi Liu

A graph's spectral wavelet signature determines a filtration, and consequently an associated set of extended persistence diagrams. We propose a framework that optimises the choice of wavelet for a dataset of graphs, such that their…

Signal Processing · Electrical Eng. & Systems 2023-06-28 Ka Man Yim , Jacob Leygonie

Message-passing graph neural networks (MPGNNs) are commonly compared with the Weisfeiler-Lehman (WL) color-refinement procedure, but this comparison does not quantify the resource parameters a network needs to realize color refinement with…

Machine Learning · Computer Science 2026-05-11 Guanyu Cui , Yuhe Guo , Zhewei Wei , Hsin-Hao Su

Graph Neural Networks (GNNs) have been predominant for graph learning tasks; however, recent studies showed that a well-known graph algorithm, Label Propagation (LP), combined with a shallow neural network can achieve comparable performance…

Machine Learning · Computer Science 2022-12-01 Zhiqiang Zhong , Sergey Ivanov , Jun Pang

Graph neural networks (GNNs) have achieved tremendous success on multiple graph-based learning tasks by fusing network structure and node features. Modern GNN models are built upon iterative aggregation of neighbor's/proximity features by…

Machine Learning · Computer Science 2021-06-15 Susheel Suresh , Vinith Budde , Jennifer Neville , Pan Li , Jianzhu Ma

Multiplexed imaging allows multiple cell types to be simultaneously visualised in a single tissue sample, generating unprecedented amounts of spatially-resolved, biological data. In topological data analysis, persistent homology provides…

Quantitative Methods · Quantitative Biology 2025-05-06 Maria Torras-Pérez , Iris H. R. Yoon , Praveen Weeratunga , Ling-Pei Ho , Helen M. Byrne , Ulrike Tillmann , Heather A. Harrington

Interpreting graph neural networks (GNNs) is difficult because message passing mixes signals and internal channels rarely align with human concepts. We study superposition, the sharing of directions by multiple features, directly in the…

Machine Learning · Computer Science 2026-01-19 Lukas Pertl , Han Xuanyuan , Pietro Liò

Graph neural networks (GNNs) are composed of layers consisting of graph convolutions and pointwise nonlinearities. Due to their invariance and stability properties, GNNs are provably successful at learning representations from data…

Machine Learning · Computer Science 2023-08-09 Luana Ruiz , Luiz F. O. Chamon , Alejandro Ribeiro

In order to make more complex number-based strings from topological coding for defending against the intelligent attacks equipped with quantum computing and providing effective protection technology for the age of quantum computing, we will…

Cryptography and Security · Computer Science 2024-04-18 Bing Yao , Fei Ma

While lifting map has significantly enhanced the expressivity of graph neural networks, extending this paradigm to hypergraphs remains fragmented. To address this, we introduce the categorical Weisfeiler-Lehman framework, which formalizes…

Machine Learning · Computer Science 2026-02-09 Seongjin Choi , Gahee Kim , Se-Young Yun

In this paper, we introduce a class of graphs which we call average hereditary graphs. Many graphs that occur in the usual graph theory applications belong to this class of graphs. Many popular types of graphs fall under this class, such as…

Discrete Mathematics · Computer Science 2025-08-11 Syed Mujtaba Hassan , Shahid Hussain

Graph neural networks are emerging as continuation of deep learning success w.r.t. graph data. Tens of different graph neural network variants have been proposed, most following a neighborhood aggregation scheme, where the node features are…

Machine Learning · Computer Science 2021-02-09 Dawei Leng , Jinjiang Guo , Lurong Pan , Jie Li , Xinyu Wang

Art is a deeply personal and expressive medium, where each artist brings their own style, technique, and cultural background into their work. Traditionally, identifying artistic styles has been the job of art historians or critics, relying…

Computer Vision and Pattern Recognition · Computer Science 2025-11-24 Reetikaa Reddy Munnangi , Barbara Giunti

Message passing graph neural networks (GNNs) are known to have their expressiveness upper-bounded by 1-dimensional Weisfeiler-Leman (1-WL) algorithm. To achieve more powerful GNNs, existing attempts either require ad hoc features, or…

Machine Learning · Computer Science 2024-01-24 Meng Liu , Haiyang Yu , Shuiwang Ji

Most graph kernels are an instance of the class of $\mathcal{R}$-Convolution kernels, which measure the similarity of objects by comparing their substructures. Despite their empirical success, most graph kernels use a naive aggregation of…

Machine Learning · Computer Science 2019-10-31 Matteo Togninalli , Elisabetta Ghisu , Felipe Llinares-López , Bastian Rieck , Karsten Borgwardt

Graph neural networks (GNNs) have been widely used in graph-related contexts. It is known that the separation power of GNNs is equivalent to that of the Weisfeiler-Lehman (WL) test; hence, GNNs are imperfect at identifying all…

Machine Learning · Computer Science 2025-02-07 Ziang Chen , Qiao Zhang , Runzhong Wang

Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…

Machine Learning · Computer Science 2020-03-10 Henrique Lemos , Marcelo Prates , Pedro Avelar , Luis Lamb

A hallmark of graph neural networks is their ability to distinguish the isomorphism class of their inputs. This study derives hardness results for the classification variant of graph isomorphism in the message-passing model (MPNN). MPNN…

Machine Learning · Computer Science 2020-10-19 Andreas Loukas