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Graphs with diverse structural characteristics play a central role in modelling and optimization tasks. The ability to generate different types of graphs that exhibit shared properties is likewise essential for algorithm selection and…

Neural and Evolutionary Computing · Computer Science 2026-03-31 Hendrik Richter , Frank Neumann

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

Graph learning is crucial in the fields of bioinformatics, social networks, and chemicals. Although high-order graphlets, such as cycles, are critical to achieving an informative graph representation for node classification, edge…

Machine Learning · Computer Science 2024-02-14 Ziquan Wei , Tingting Dan , Guorong Wu

The purpose of this paper is to infer a global (collective) model of time-varying responses of a set of nodes as a dynamic graph, where the individual time series are respectively observed at each of the nodes. The motivation of this work…

Signal Processing · Electrical Eng. & Systems 2020-02-18 Bo Jiang , Ashkan Panahi , Hamid Krim , Yiyi Yu , Spencer L. Smith

Graph Neural Networks (GNNs) have become the standard approach for learning and reasoning over relational data, leveraging the message-passing mechanism that iteratively propagates node embeddings through graph structures. While GNNs have…

Machine Learning · Computer Science 2025-01-14 Xiaoyu Li , Yingyu Liang , Zhenmei Shi , Zhao Song , Wei Wang , Jiahao Zhang

Graph Neural Networks (GNNs) have emerged as a dominant paradigm for graph classification. Specifically, most existing GNNs mainly rely on the message passing strategy between neighbor nodes, where the expressivity is limited by the…

Machine Learning · Computer Science 2025-12-12 Lin Du , Lu Bai , Jincheng Li , Lixin Cui , Hangyuan Du , Lichi Zhang , Yuting Chen , Zhao Li

Graph signals offer a very generic and natural representation for data that lives on networks or irregular structures. The actual data structure is however often unknown a priori but can sometimes be estimated from the knowledge of the…

Machine Learning · Computer Science 2017-07-19 Hermina Petric Maretic , Dorina Thanou , Pascal Frossard

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

The Weisfeiler-Leman algorithm ($1$-WL) is a well-studied heuristic for the graph isomorphism problem. Recently, the algorithm has played a prominent role in understanding the expressive power of message-passing graph neural networks…

Machine Learning · Computer Science 2024-05-29 Billy J. Franks , Christopher Morris , Ameya Velingker , Floris Geerts

Linear network coding transmits data through networks by letting the intermediate nodes combine the messages they receive and forward the combinations towards their destinations. The solvability problem asks whether the demands of all the…

Information Theory · Computer Science 2014-12-18 Maximilien Gadouleau , Adrien Richard , Eric Fanchon

The expressive power of graph neural networks is usually measured by comparing how many pairs of graphs or nodes an architecture can possibly distinguish as non-isomorphic to those distinguishable by the $k$-dimensional Weisfeiler-Leman…

Machine Learning · Computer Science 2024-04-02 Arjun Subramonian , Adina Williams , Maximilian Nickel , Yizhou Sun , Levent Sagun

A graph neural network (GNN) is a good choice for predicting the chemical properties of molecules. Compared with other deep networks, however, the current performance of a GNN is limited owing to the "curse of depth." Inspired by…

Machine Learning · Computer Science 2020-08-19 Katsuhiko Ishiguro , Kenta Oono , Kohei Hayashi

How can we best encode structured data into sequential form for use in large language models (LLMs)? In this work, we introduce a parameter-efficient method to explicitly represent structured data for LLMs. Our method, GraphToken, learns an…

Machine Learning · Computer Science 2024-02-09 Bryan Perozzi , Bahare Fatemi , Dustin Zelle , Anton Tsitsulin , Mehran Kazemi , Rami Al-Rfou , Jonathan Halcrow

We propose a Graph Neural Network with greater expressive power than commonly used GNNs - not constrained to only differentiate between graphs that Weisfeiler-Lehman test recognizes to be non-isomorphic. We use a graph attention network…

Machine Learning · Computer Science 2020-04-14 Stanisław Purgał

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

We present Graformer, a novel Transformer-based encoder-decoder architecture for graph-to-text generation. With our novel graph self-attention, the encoding of a node relies on all nodes in the input graph - not only direct neighbors -…

Computation and Language · Computer Science 2021-04-28 Martin Schmitt , Leonardo F. R. Ribeiro , Philipp Dufter , Iryna Gurevych , Hinrich Schütze

Temporal Graph Networks (TGNs) have demonstrated significant success in dynamic graph tasks such as link prediction and node classification. Both tasks comprise transductive settings, where the model predicts links among known nodes, and in…

Machine Learning · Computer Science 2025-04-16 Jiafeng Xiong , Rizos Sakellariou

The (variational) graph auto-encoder and its variants have been popularly used for representation learning on graph-structured data. While the encoder is often a powerful graph convolutional network, the decoder reconstructs the graph…

Machine Learning · Computer Science 2019-11-27 Han Shi , Haozheng Fan , James T. Kwok

Graph Neural Networks (GNNs) are the subject of intense focus by the machine learning community for problems involving relational reasoning. GNNs can be broadly divided into spatial and spectral approaches. Spatial approaches use a form of…

Machine Learning · Statistics 2021-01-05 Kimberly Stachenfeld , Jonathan Godwin , Peter Battaglia

A key component of many graph neural networks (GNNs) is the pooling operation, which seeks to reduce the size of a graph while preserving important structural information. However, most existing graph pooling strategies rely on an…

Machine Learning · Computer Science 2023-10-17 Mahsa Mesgaran , A. Ben Hamza