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Diffusion models have gained popularity in graph generation tasks; however, the extent of their expressivity concerning the graph distributions they can learn is not fully understood. Unlike models in other domains, popular backbones for…

Machine Learning · Computer Science 2025-02-05 Xiyuan Wang , Yewei Liu , Lexi Pang , Siwei Chen , Muhan Zhang

One significant challenge of exploiting Graph neural networks (GNNs) in real-life scenarios is that they are always treated as black boxes, therefore leading to the requirement of interpretability. To address this, model-level…

Machine Learning · Computer Science 2025-09-22 Xiao Yue , Guangzhi Qu , Lige Gan

Graphs are ubiquitous in social networks and biochemistry, where Graph Neural Networks (GNN) are the state-of-the-art models for prediction. Graphs can be evolving and it is vital to formally model and understand how a trained GNN responds…

Machine Learning · Computer Science 2024-03-12 Yazheng Liu , Xi Zhang , Sihong Xie

Graph generation generally aims to create new graphs that closely align with a specific graph distribution. Existing works often implicitly capture this distribution through the optimization of generators, potentially overlooking the…

Machine Learning · Computer Science 2024-07-19 Song Wang , Zhen Tan , Xinyu Zhao , Tianlong Chen , Huan Liu , Jundong Li

Estimating the expected value of a graph statistic is an important inference task for using and learning graph models. This note presents a scalable estimation procedure for expected motif counts, a widely used type of graph statistic. The…

Machine Learning · Computer Science 2023-05-03 Oliver Schulte

Diffusion models have established themselves as state-of-the-art generative models across various data modalities, including images and videos, due to their ability to accurately approximate complex data distributions. Unlike traditional…

Machine Learning · Computer Science 2025-10-23 Daniel Wesego

Graphs are ubiquitous real-world data structures, and generative models that approximate distributions over graphs and derive new samples from them have significant importance. Among the known challenges in graph generation tasks,…

Machine Learning · Computer Science 2019-10-04 Wataru Kawai , Yusuke Mukuta , Tatsuya Harada

Graph is a prevalent discrete data structure, whose generation has wide applications such as drug discovery and circuit design. Diffusion generative models, as an emerging research focus, have been applied to graph generation tasks.…

Machine Learning · Computer Science 2024-11-05 Zhe Xu , Ruizhong Qiu , Yuzhong Chen , Huiyuan Chen , Xiran Fan , Menghai Pan , Zhichen Zeng , Mahashweta Das , Hanghang Tong

For domains that involve numerical simulation, it can be computationally expensive to run an ensemble of simulations spanning a parameter space of interest to a user. To this end, an attractive surrogate for simulation is the generative…

Machine Learning · Computer Science 2025-05-13 Xiaohan Wang , Matthew Berger

The processes of constructing some graphs from others using binary operations of union with intersection (gluing) are studied. For graph classes closed with respect to gluing operations the elemental and operational bases are introduced.…

Combinatorics · Mathematics 2020-11-24 M. A. Iordanski

Graph learning algorithms have attained state-of-the-art performance on many graph analysis tasks such as node classification, link prediction, and clustering. It has, however, become hard to track the field's burgeoning progress. One…

Machine Learning · Computer Science 2022-04-05 Anton Tsitsulin , Benedek Rozemberczki , John Palowitch , Bryan Perozzi

Graph generation has emerged as a crucial task in machine learning, with significant challenges in generating graphs that accurately reflect specific properties. Existing methods often fall short in efficiently addressing this need as they…

Graph convolutional neural networks (GCNNs) have emerged as powerful tools for analyzing graph-structured data, achieving remarkable success across diverse applications. However, the theoretical understanding of the stability of these…

Machine Learning · Computer Science 2025-10-28 Ning Zhang , Henry Kenlay , Li Zhang , Mihai Cucuringu , Xiaowen Dong

Graphs are crucial for representing interrelated data and aiding predictive modeling by capturing complex relationships. Achieving high-quality graph representation is important for identifying linked patterns, leading to improvements in…

Machine Learning · Computer Science 2024-07-23 Sumeyye Bas , Kiymet Kaya , Resul Tugay , Sule Gunduz Oguducu

Machine learning models that operate on graph-structured data, such as molecular graphs or social networks, often make accurate predictions but offer little insight into why certain predictions are made. Counterfactual explanations address…

Machine Learning · Computer Science 2025-11-21 David Bechtoldt , Sidney Bender

The relations, rather than the elements, constitute the structure of networks. We therefore develop a systematic approach to the analysis of networks, modelled as graphs or hypergraphs, that is based on structural properties of…

Discrete Mathematics · Computer Science 2020-12-08 Marzieh Eidi , Amirhossein Farzam , Wilmer Leal , Areejit Samal , Jürgen Jost

Explanations in a recommender system assist users in making informed decisions among a set of recommended items. Great research attention has been devoted to generating natural language explanations to depict how the recommendations are…

Information Retrieval · Computer Science 2022-02-22 Peng Wang , Renqin Cai , Hongning Wang

Diffusion models achieve state-of-the-art performance in generating realistic objects and have been successfully applied to images, text, and videos. Recent work has shown that diffusion can also be defined on graphs, including graph…

Machine Learning · Computer Science 2023-02-09 Alex M. Tseng , Nathaniel Diamant , Tommaso Biancalani , Gabriele Scalia

Graphs are ubiquitous in nature and can therefore serve as models for many practical but also theoretical problems. For this purpose, they can be defined as many different types which suitably reflect the individual contexts of the…

Machine Learning · Computer Science 2023-04-27 Josephine M. Thomas , Alice Moallemy-Oureh , Silvia Beddar-Wiesing , Clara Holzhüter

We propose Graph Generating Dependencies (GGDs), a new class of dependencies for property graphs. Extending the expressivity of state of the art constraint languages, GGDs can express both tuple- and equality-generating dependencies on…

Databases · Computer Science 2020-06-16 Larissa C. Shimomura , George Fletcher , Nikolay Yakovets