Challenges of Generating Structurally Diverse Graphs
Fedor Velikonivtsev, Mikhail Mironov, Liudmila Prokhorenkova
Abstract
For many graph-related problems, it can be essential to have a set of structurally diverse graphs. For instance, such graphs can be used for testing graph algorithms or their neural approximations. However, to the best of our knowledge, the problem of generating structurally diverse graphs has not been explored in the literature. In this paper, we fill this gap. First, we discuss how to define diversity for a set of graphs, why this task is non-trivial, and how one can choose a proper diversity measure. Then, for a given diversity measure, we propose and compare several algorithms optimizing it: we consider approaches based on standard random graph models, local graph optimization, genetic algorithms, and neural generative models. We show that it is possible to significantly improve diversity over basic random graph generators. Additionally, our analysis of generated graphs allows us to better understand the properties of graph distances: depending on which diversity measure is used for optimization, the obtained graphs may possess very different structural properties which gives a better understanding of the graph distance underlying the diversity measure.
Ask about this paper
Your agent reads all of it.
Lune indexed this paper to the last equation, along with the top-tier papers that cite it. Ask a question and the answer quotes them.
Your agent calls
Luneget_paper_fulltext
Free to start. No credit card required.
Terminal
Install the CLIlune papers fulltext 322b40a7-81c2-4b73-8a4e-40617354ae8fCited by top-tier papers5
- DMol: A Highly Efficient and Chemical Motif-Preserving Molecule Generation PlatformPeizhi Niu, Yu-Hsiang Wang, Vishal Rana, Chetan Rupakheti et al.NeurIPS 2025 · 1 citation
- Beyond One-Size-Fits-All: Adaptive Subgraph Denoising for Zero-Shot Graph Learning with Large Language ModelsFengzhi Li, Liang Zhang, Yuan Zuo, Ruiqing Zhao et al.KDD 2026 · 1 citation
- HyperPLR: Hypergraph Generation through Projection, Learning, and ReconstructionWeihuang Wen, Tianshu YuICLR 2025
- Neural Dispersion on GraphsRyien Hosseini, Pouya Gholami, Filippo Simini, Venkatram Vishwanath et al.ICML 2026
- Measuring Diversity: Axioms and ChallengesMikhail Mironov, Liudmila ProkhorenkovaICML 2025
Builds on5
- SPECTRE: Spectral Conditioning Helps to Overcome the Expressivity Limits of One-shot Graph GeneratorsKarolis Martinkus, Andreas Loukas, Nathanaël Perraudin, Roger WattenhoferICML 2022 · 109 citations
- DiGress: Discrete Denoising diffusion for graph generationClément Vignac, Igor Krawczuk, Antoine Siraudin, Bohan Wang et al.ICLR 2023 · 70 citations
- On Evaluation Metrics for Graph Generative ModelsRylee Thompson, Boris Knyazev, Elahe Ghalebi, Jungtaek Kim et al.ICLR 2022 · 60 citations
- How Much Space Has Been Explored? Measuring the Chemical Space Covered by Databases and Machine-Generated MoleculesYutong Xie, Ziqiao Xu, Jiaqi Ma, Qiaozhu MeiICLR 2023 · 3 citations
- Measuring Diversity: Axioms and ChallengesMikhail Mironov, Liudmila ProkhorenkovaICML 2025
Related papers
- Evaluating Graph Generative Models with Contrastively Learned FeaturesHamed Shirzad, Kaveh Hassani, Danica J. SutherlandNeurIPS 2022 · 10 citations
- Towards Generative Graph Matching for Graph Edit Distance ComputationWei Huang, Hanchen Wang, Dong Wen, Wenjie Zhang et al.ICML 2026
- Demystifying Graph Sparsification Algorithms in Graph Properties PreservationYuhan Chen, Haojie Ye, Sanketh Vedula, Alex M. Bronstein et al.VLDB 2024 · 29 citations
- Graph Random Neural Features for Distance-Preserving Graph RepresentationsDaniele Zambon, Cesare Alippi, Lorenzo LiviICML 2020 · 17 citations
- Evaluation Metrics for Graph Generative Models: Problems, Pitfalls, and Practical SolutionsLeslie O'Bray, Max Horn, Bastian Rieck, Karsten M. BorgwardtICLR 2022 · 51 citations
