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Molecule generation is a challenging open problem in cheminformatics. Currently, deep generative approaches addressing the challenge belong to two broad categories, differing in how molecules are represented. One approach encodes molecular…

Machine Learning · Statistics 2020-11-02 Marco Podda , Davide Bacciu , Alessio Micheli

There have been tremendous efforts over the past decades dedicated to the generation of realistic graphs in a variety of domains, ranging from social networks to computer networks, from gene regulatory networks to online transaction…

Machine Learning · Computer Science 2023-12-19 Lecheng Zheng , Dawei Zhou , Hanghang Tong , Jiejun Xu , Yada Zhu , Jingrui He

While Graph Neural Networks (GNNs) are powerful models for learning representations on graphs, most state-of-the-art models do not have significant accuracy gain beyond two to three layers. Deep GNNs fundamentally need to address: 1).…

Over recent years, denoising diffusion generative models have come to be considered as state-of-the-art methods for synthetic data generation, especially in the case of generating images. These approaches have also proved successful in…

Machine Learning · Computer Science 2023-06-30 Stratis Limnios , Praveen Selvaraj , Mihai Cucuringu , Carsten Maple , Gesine Reinert , Andrew Elliott

Generative network models play an important role in algorithm development, scaling studies, network analysis, and realistic system benchmarks for graph data sets. The commonly used graph-based benchmark model R-MAT has some drawbacks…

Data Structures and Algorithms · Computer Science 2016-07-01 Moritz von Looz , Mustafa Özdayi , Sören Laue , Henning Meyerhenke

Despite that going deep has proven successful in many neural architectures, the existing graph transformers are relatively shallow. In this work, we explore whether more layers are beneficial to graph transformers, and find that current…

Machine Learning · Computer Science 2023-03-02 Haiteng Zhao , Shuming Ma , Dongdong Zhang , Zhi-Hong Deng , Furu Wei

Graph embedding methods aim at finding useful graph representations by mapping nodes to a low-dimensional vector space. It is a task with important downstream applications, such as link prediction, graph reconstruction, data visualization,…

Machine Learning · Computer Science 2022-09-13 Said Kerrache , Hafida Benhidour

Graph generation poses a significant challenge as it involves predicting a complete graph with multiple nodes and edges based on simply a given label. This task also carries fundamental importance to numerous real-world applications,…

Machine Learning · Computer Science 2024-02-21 Xiandong Zou , Xiangyu Zhao , Pietro Liò , Yiren Zhao

Deep learning-based graph generation approaches have remarkable capacities for graph data modeling, allowing them to solve a wide range of real-world problems. Making these methods able to consider different conditions during the generation…

Machine Learning · Computer Science 2023-01-11 Faezeh Faez , Negin Hashemi Dijujin , Mahdieh Soleymani Baghshah , Hamid R. Rabiee

Generative graph models struggle to scale due to the need to predict the existence or type of edges between all node pairs. To address the resulting quadratic complexity, existing scalable models often impose restrictive assumptions such as…

Machine Learning · Computer Science 2024-05-24 Yiming Qin , Clement Vignac , Pascal Frossard

Structure aware graph generation aims to generate graphs that satisfy given topological properties. It has applications in domains such as drug discovery, social network modeling, and knowledge graph construction. Unlike existing methods…

Artificial Intelligence · Computer Science 2026-05-05 Nidhi Vakil , Hadi Amiri

Distributed processing of large-scale graph data has many practical applications and has been widely studied. In recent years, a lot of distributed graph processing frameworks and algorithms have been proposed. While many efforts have been…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-29 Lingkai Meng , Yu Shao , Long Yuan , Longbin Lai , Peng Cheng , Xue Li , Wenyuan Yu , Wenjie Zhang , Xuemin Lin , Jingren Zhou

We present an approach to synthesizing new graph structures from empirically specified distributions. The generative model is an auto-decoder that learns to synthesize graphs from latent codes. The graph synthesis model is learned jointly…

Machine Learning · Computer Science 2020-06-05 Sohil Atul Shah , Vladlen Koltun

In this work, we propose a novel framework to enable diffusion models to adapt their generation quality based on real-time network bandwidth constraints. Traditional diffusion models produce high-fidelity images by performing a fixed number…

Computer Vision and Pattern Recognition · Computer Science 2026-04-10 Xi Zhang , Hanwei Zhu , Yan Zhong , Jiamang Wang , Weisi Lin

Graph representation learning aims to effectively encode high-dimensional sparse graph-structured data into low-dimensional dense vectors, which is a fundamental task that has been widely studied in a range of fields, including machine…

Graph embedding techniques have attracted growing interest since they convert the graph data into continuous and low-dimensional space. Effective graph analytic provides users a deeper understanding of what is behind the data and thus can…

Machine Learning · Computer Science 2022-01-21 Azita Nouri , Philip E. Davis , Pradeep Subedi , Manish Parashar

The interconnectedness and interdependence of modern graphs are growing ever more complex, causing enormous resources for processing, storage, communication, and decision-making of these graphs. In this work, we focus on the task graph…

Machine Learning · Computer Science 2023-01-16 Ryan Wickman , Xiaofei Zhang , Weizi Li

Graph generation addresses the problem of generating new graphs that have a data distribution similar to real-world graphs. While previous diffusion-based graph generation methods have shown promising results, they often struggle to scale…

Machine Learning · Computer Science 2025-05-28 Tobias Bernecker , Ghalia Rehawi , Francesco Paolo Casale , Janine Knauer-Arloth , Annalisa Marsico

Generating graphs that preserve characteristic structures while promoting sample diversity can be challenging, especially when the number of graph observations is small. Here, we tackle the problem of graph generation from only one observed…

Machine Learning · Statistics 2024-04-08 Gesine Reinert , Wenkai Xu

Large-scale graphs with node attributes are increasingly common in various real-world applications. Creating synthetic, attribute-rich graphs that mirror real-world examples is crucial, especially for sharing graph data for analysis and…

Machine Learning · Computer Science 2024-10-17 Mufei Li , Eleonora Kreačić , Vamsi K. Potluru , Pan Li