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A homomorphism from a graph G to a graph H is a function from the vertices of G to the vertices of H that preserves edges. A homomorphism is surjective if it uses all of the vertices of H and it is a compaction if it uses all of the…

Computational Complexity · Computer Science 2019-06-28 Jacob Focke , Leslie Ann Goldberg , Stanislav Zivny

This paper focuses on the discrimination capacity of aggregation functions: these are the permutation invariant functions used by graph neural networks to combine the features of nodes. Realizing that the most powerful aggregation functions…

Machine Learning · Computer Science 2019-06-06 Younjoo Seo , Andreas Loukas , Nathanaël Perraudin

Graph neural networks (GNNs) have achieved remarkable success in node classification. Building on this progress, heterogeneous graph neural networks (HGNNs) integrate relation types and node and edge semantics to leverage heterogeneous…

Machine Learning · Computer Science 2025-10-08 Xiao Yang , Xuejiao Zhao , Zhiqi Shen

Graph mining has become crucial in fields such as social science, finance, and cybersecurity. Many large-scale real-world networks exhibit both heterogeneity, where multiple node and edge types exist in the graph, and heterophily, where…

Machine Learning · Computer Science 2025-06-04 Junhong Lin , Xiaojie Guo , Shuaicheng Zhang , Yada Zhu , Julian Shun

The reasoning process of Graph Neural Networks is complex and considered opaque, limiting trust in their predictions. To alleviate this issue, prior work has proposed concept-based explanations, extracted from clusters in the model's node…

Machine Learning · Computer Science 2026-04-22 Lucie Charlotte Magister , Alexander Norcliffe , Iulia Duta , Pietro Lio

A network can be analyzed at different topological scales, ranging from single nodes to motifs, communities, up to the complete structure. We propose a novel intermediate-level topological analysis that considers non-overlapping subgraphs…

Computational Physics · Physics 2009-11-13 Lucas Antiqueira , Luciano da Fontoura Costa

The graph structure is a commonly used data storage mode, and it turns out that the low-dimensional embedded representation of nodes in the graph is extremely useful in various typical tasks, such as node classification, link prediction ,…

Social and Information Networks · Computer Science 2020-08-03 Xing Li , Wei Wei , Xiangnan Feng , Xue Liu , Zhiming Zheng

Node classification is a classical graph machine learning task on which Graph Neural Networks (GNNs) have recently achieved strong results. However, it is often believed that standard GNNs only work well for homophilous graphs, i.e., graphs…

Machine Learning · Computer Science 2024-03-05 Oleg Platonov , Denis Kuznedelev , Michael Diskin , Artem Babenko , Liudmila Prokhorenkova

Graph mining applications analyze the structural properties of large graphs, and they do so by finding subgraph isomorphisms, which makes them computationally intensive. Existing graph mining techniques including both custom graph mining…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-12-09 Kasra Jamshidi , Keval Vora

A new heuristic based on vertex invariants is developed to rapidly distinguish non-isomorphic graphs to a desired level of accuracy. The method is applied to sample subgraphs from an E.coli protein interaction network, and as a probe for…

Quantitative Methods · Quantitative Biology 2009-11-13 Kim Baskerville , Maya Paczuski

Many natural combinatorial quantities can be expressed by counting the number of homomorphisms to a fixed relational structure. For example, the number of 3-colorings of an undirected graph $G$ is equal to the number of homomorphisms from…

Computational Complexity · Computer Science 2017-10-03 Hubie Chen

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However,…

Graph neural network, as a powerful graph representation technique based on deep learning, has shown superior performance and attracted considerable research interest. However, it has not been fully considered in graph neural network for…

Social and Information Networks · Computer Science 2021-01-21 Xiao Wang , Houye Ji , Chuan Shi , Bai Wang , Peng Cui , P. Yu , Yanfang Ye

Graph neural networks have become a staple in problems addressing learning and analysis of data defined over graphs. However, several results suggest an inherent difficulty in extracting better performance by increasing the number of…

Machine Learning · Computer Science 2021-03-30 Diego Valsesia , Giulia Fracastoro , Enrico Magli

We associate all small subgraph counting problems with a systematic graph encoding/representation system which makes a coherent use of graphlet structures. The system can serve as a unified foundation for studying and connecting many…

Discrete Mathematics · Computer Science 2021-03-22 Dimitris Floros , Nikos Pitsianis , Xiaobai Sun

The counting power of Message Passing Neural Networks (MPNN) has been the subject of many recent papers, showing that they can express logic that involves counting up to a threshold or more generally satisfy a linear arithmetic constraint.…

Machine Learning · Computer Science 2026-05-12 Marco Sälzer , Pascal Bergsträßer , Anthony W. Lin

We propose a theoretical framework for training Graph Neural Networks (GNNs) on large input graphs via training on small, fixed-size sampled subgraphs. This framework is applicable to a wide range of models, including popular sampling-based…

Machine Learning · Computer Science 2023-10-18 Yeganeh Alimohammadi , Luana Ruiz , Amin Saberi

Spectral features are widely incorporated within Graph Neural Networks (GNNs) to improve their expressive power, or their ability to distinguish among non-isomorphic graphs. One popular example is the usage of graph Laplacian eigenvectors…

Machine Learning · Computer Science 2025-09-29 Snir Hordan , Maya Bechler-Speicher , Gur Lifshitz , Nadav Dym

Graph Neural Networks have emerged as a useful tool to learn on the data by applying additional constraints based on the graph structure. These graphs are often created with assumed intrinsic relations between the entities. In recent years,…

Machine Learning · Statistics 2021-05-18 Sunil Kumar Maurya , Xin Liu , Tsuyoshi Murata

For an arbitrary, fixed graph (pattern graph), we study the algorithmic complexity of counting homomorphisms, subgraph isomorphisms, and induced subgraph isomorphisms from the pattern graph to $n$-vertex, $d$-degenerate graphs as input.…

Data Structures and Algorithms · Computer Science 2025-11-07 Balagopal Komarath , Anant Kumar , Akash Pareek