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As the field of Graph Neural Networks (GNN) continues to grow, it experiences a corresponding increase in the need for large, real-world datasets to train and test new GNN models on challenging, realistic problems. Unfortunately, such graph…

Machine Learning · Computer Science 2023-06-12 Minji Yoon , Yue Wu , John Palowitch , Bryan Perozzi , Ruslan Salakhutdinov

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

Graph diffusion generative models (GDGMs) have emerged as powerful tools for generating high-quality graphs. However, their broader adoption faces challenges in \emph{scalability and size generalization}. GDGMs struggle to scale to large…

Machine Learning · Computer Science 2025-08-21 Junwei Su , Shan Wu

The burgeoning volume of graph data presents significant computational challenges in training graph neural networks (GNNs), critically impeding their efficiency in various applications. To tackle this challenge, graph condensation (GC) has…

Machine Learning · Computer Science 2024-06-13 Xinyi Gao , Tong Chen , Wentao Zhang , Yayong Li , Xiangguo Sun , Hongzhi Yin

Deep learning-based approaches have been developed to solve challenging problems in wireless communications, leading to promising results. Early attempts adopted neural network architectures inherited from applications such as computer…

Information Theory · Computer Science 2022-11-07 Yifei Shen , Jun Zhang , S. H. Song , Khaled B. Letaief

Learning generative models for graph-structured data is challenging because graphs are discrete, combinatorial, and the underlying data distribution is invariant to the ordering of nodes. However, most of the existing generative models for…

Machine Learning · Computer Science 2020-03-03 Chenhao Niu , Yang Song , Jiaming Song , Shengjia Zhao , Aditya Grover , Stefano Ermon

Recently, deep learning based methods have demonstrated promising results on the graph matching problem, by relying on the descriptive capability of deep features extracted on graph nodes. However, one main limitation with existing deep…

Computer Vision and Pattern Recognition · Computer Science 2021-03-16 Quankai Gao , Fudong Wang , Nan Xue , Jin-Gang Yu , Gui-Song Xia

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

Machine Learning · Computer Science 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

Deep generative models for graphs have exhibited promising performance in ever-increasing domains such as design of molecules (i.e, graph of atoms) and structure prediction of proteins (i.e., graph of amino acids). Existing work typically…

Machine Learning · Computer Science 2021-01-21 Wenbin Zhang , Liming Zhang , Dieter Pfoser , Liang Zhao

Generating realistic graph-structured data is challenging due to discrete connectivity, varying graph sizes, and class-specific structural patterns. Recent Generative Adversarial Networks (GAN)-based graph generation methods improve edge…

Machine Learning · Computer Science 2026-05-29 James Sargant , Seyedeh Ava Razi Razavi , Renata Dividino , Sheridan Houghten

Most real-world networks are noisy and incomplete samples from an unknown target distribution. Refining them by correcting corruptions or inferring unobserved regions typically improves downstream performance. Inspired by the impressive…

Different layouts can characterize different aspects of the same graph. Finding a "good" layout of a graph is thus an important task for graph visualization. In practice, users often visualize a graph in multiple layouts by using different…

Social and Information Networks · Computer Science 2019-10-16 Oh-Hyun Kwon , Kwan-Liu Ma

Sampling technique has become one of the recent research focuses in the graph-related fields. Most of the existing graph sampling algorithms tend to sample the high degree or low degree nodes in the complex networks because of the…

Social and Information Networks · Computer Science 2018-02-02 Junpeng Zhu , Hui Li , Mei Chen , Zhenyu Dai , Ming Zhu

The problem of molecular generation has received significant attention recently. Existing methods are typically based on deep neural networks and require training on large datasets with tens of thousands of samples. In practice, however,…

Machine Learning · Computer Science 2022-03-16 Minghao Guo , Veronika Thost , Beichen Li , Payel Das , Jie Chen , Wojciech Matusik

In genome-scale constraint-based metabolic models, gene deletion strategies are essential for achieving growth-coupled production, where cell growth and target metabolite synthesis occur simultaneously. Despite the inherently networked…

Quantitative Methods · Quantitative Biology 2026-04-10 Ziwei Yang , Takeyuki Tamura

Graph generative models have broad applications in biology, chemistry and social science. However, modelling and understanding the generative process of graphs is challenging due to the discrete and high-dimensional nature of graphs, as…

Machine Learning · Computer Science 2022-12-06 Han Huang , Leilei Sun , Bowen Du , Yanjie Fu , Weifeng Lv

State-of-the-art Graph Neural Networks (GNNs) have limited scalability with respect to the graph and model sizes. On large graphs, increasing the model depth often means exponential expansion of the scope (i.e., receptive field). Beyond…

Learning graph generative models over latent spaces has received less attention compared to models that operate on the original data space and has so far demonstrated lacklustre performance. We present GLAD a latent space graph generative…

Machine Learning · Computer Science 2025-02-18 Van Khoa Nguyen , Yoann Boget , Frantzeska Lavda , Alexandros Kalousis

Diffusion-based generative graph models have been proven effective in generating high-quality small graphs. However, they need to be more scalable for generating large graphs containing thousands of nodes desiring graph statistics. In this…

Machine Learning · Computer Science 2023-06-01 Xiaohui Chen , Jiaxing He , Xu Han , Li-Ping Liu

Generating novel molecules with optimal properties is a crucial step in many industries such as drug discovery. Recently, deep generative models have shown a promising way of performing de-novo molecular design. Although graph generative…

Machine Learning · Computer Science 2018-11-27 Rim Assouel , Mohamed Ahmed , Marwin H Segler , Amir Saffari , Yoshua Bengio