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Related papers: GraphRCG: Self-Conditioned Graph Generation

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Graph neural networks are widely used in machine learning applied to chemistry, and in particular for material science discovery. For crystalline materials, however, generating graph-based representation from geometrical information for…

Materials Science · Physics 2023-07-12 Astrid Klipfel , Yaël Frégier , Adlane Sayede , Zied Bouraoui

Graphs are used in many disciplines to model the relationships that exist between objects in a complex discrete system. Researchers may wish to compare a network of interest to a "typical" graph from a family (or ensemble) of graphs which…

Combinatorics · Mathematics 2025-08-08 Catherine Greenhill

Controllable molecular graph generation is essential for material and drug discovery, where generated molecules must satisfy diverse property constraints. While recent advances in graph diffusion models have improved generation quality,…

Machine Learning · Computer Science 2025-09-30 Anjie Qiao , Zhen Wang , Chuan Chen , DeFu Lian , Enhong Chen

The objective of graph coarsening is to generate smaller, more manageable graphs while preserving key information of the original graph. Previous work were mainly based on the perspective of spectrum-preserving, using some predefined…

Artificial Intelligence · Computer Science 2025-06-25 Shuyin Xia , Guan Wang , Gaojie Xu , Sen Zhao , Guoyin Wang

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

Unconditional generation -- the problem of modeling data distribution without relying on human-annotated labels -- is a long-standing and fundamental challenge in generative models, creating a potential of learning from large-scale…

Computer Vision and Pattern Recognition · Computer Science 2024-11-04 Tianhong Li , Dina Katabi , Kaiming He

Learning to compose visual relationships from raw images in the form of scene graphs is a highly challenging task due to contextual dependencies, but it is essential in computer vision applications that depend on scene understanding.…

Computer Vision and Pattern Recognition · Computer Science 2023-09-26 Neau Maëlic , Paulo E. Santos , Anne-Gwenn Bosser , Cédric Buche

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

Large graph datasets make training graph neural networks (GNNs) computationally costly. Graph condensation methods address this by generating small synthetic graphs that approximate the original data. However, existing approaches rely on…

Machine Learning · Computer Science 2026-01-16 Jay Nandy , Arnab Kumar Mondal , Anuj Rathore , Mahesh Chandran

Being the most cutting-edge generative methods, diffusion methods have shown great advances in wide generation tasks. Among them, graph generation attracts significant research attention for its broad application in real life. In our…

Machine Learning · Computer Science 2024-07-17 Hongyang Chen , Can Xu , Lingyu Zheng , Qiang Zhang , Xuemin Lin

Graph learning methods have recently been receiving increasing interest as means to infer structure in datasets. Most of the recent approaches focus on different relationships between a graph and data sample distributions, mostly in…

Machine Learning · Computer Science 2020-03-23 Hermina Petric Maretic , Pascal Frossard

We introduce a framework for joint grounded scene graph - image generation, a challenging task involving high-dimensional, multi-modal structured data. To effectively model this complex joint distribution, we adopt a factorized approach:…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Bicheng Xu , Qi Yan , Renjie Liao , Lele Wang , Leonid Sigal

Inferring the graph structure from observed data is a key task in graph machine learning to capture the intrinsic relationship between data entities. While significant advancements have been made in learning the structure of homogeneous…

Machine Learning · Computer Science 2025-03-13 Keyue Jiang , Bohan Tang , Xiaowen Dong , Laura Toni

Graph convolutional networks have been successful in addressing graph-based tasks such as semi-supervised node classification. Existing methods use a network structure defined by the user based on experimentation with fixed number of layers…

Machine Learning · Computer Science 2021-01-21 Negar Heidari , Alexandros Iosifidis

In this work, we introduce a new algorithm for analyzing a diagram, which contains visual and textual information in an abstract and integrated way. Whereas diagrams contain richer information compared with individual image-based or…

Computer Vision and Pattern Recognition · Computer Science 2017-11-28 Daesik Kim , Youngjoon Yoo , Jeesoo Kim , Sangkuk Lee , Nojun Kwak

Denoising-based models, including diffusion and flow matching, have led to substantial advances in graph generation. Despite this progress, such models remain constrained by two fundamental limitations: a computational cost that scales…

Machine Learning · Computer Science 2026-04-02 Yoann Boget , Pablo Strasser , Alexandros Kalousis

Contrastive learning has been widely applied to graph representation learning, where the view generators play a vital role in generating effective contrastive samples. Most of the existing contrastive learning methods employ pre-defined…

Machine Learning · Computer Science 2022-01-04 Yihang Yin , Qingzhong Wang , Siyu Huang , Haoyi Xiong , Xiang Zhang

Scene graph generation (SGG) endeavors to predict visual relationships between pairs of objects within an image. Prevailing SGG methods traditionally assume a one-off learning process for SGG. This conventional paradigm may necessitate…

Computer Vision and Pattern Recognition · Computer Science 2024-01-29 Tao He , Tongtong Wu , Dongyang Zhang , Guiduo Duan , Ke Qin , Yuan-Fang Li

Graph learning from data represents a canonical problem that has received substantial attention in the literature. However, insufficient work has been done in incorporating prior structural knowledge onto the learning of underlying…

Machine Learning · Statistics 2019-04-23 Sandeep Kumar , Jiaxi Ying , José Vinícius de M. Cardoso , Daniel Palomar

Federated graph learning is a widely recognized technique that promotes collaborative training of graph neural networks (GNNs) by multi-client graphs.However, existing approaches heavily rely on the communication of model parameters or…

Machine Learning · Computer Science 2025-05-06 Hao Zhang , Xunkai Li , Yinlin Zhu , Lianglin Hu