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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

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

Existing NAS methods suffer from either an excessive amount of time for repetitive sampling and training of many task-irrelevant architectures. To tackle such limitations of existing NAS methods, we propose a paradigm shift from NAS to a…

Machine Learning · Computer Science 2024-03-26 Sohyun An , Hayeon Lee , Jaehyeong Jo , Seanie Lee , Sung Ju Hwang

Recent work in graph models has found that probabilistic hyperedge replacement grammars (HRGs) can be extracted from graphs and used to generate new random graphs with graph properties and substructures close to the original. In this paper,…

Social and Information Networks · Computer Science 2018-06-22 Xinyi Wang , Salvador Aguinaga , Tim Weninger , David Chiang

Recent deep learning models have moved beyond low-dimensional regular grids such as image, video, and speech, to high-dimensional graph-structured data, such as social networks, brain connections, and knowledge graphs. This evolution has…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-10-22 Lingxiao Ma , Zhi Yang , Youshan Miao , Jilong Xue , Ming Wu , Lidong Zhou , Yafei Dai

We present Graph Neural Diffusion (GRAND) that approaches deep learning on graphs as a continuous diffusion process and treats Graph Neural Networks (GNNs) as discretisations of an underlying PDE. In our model, the layer structure and…

There has been a recent surge in learning generative models for graphs. While impressive progress has been made on static graphs, work on generative modeling of temporal graphs is at a nascent stage with significant scope for improvement.…

Machine Learning · Computer Science 2022-08-26 Shubham Gupta , Sahil Manchanda , Srikanta Bedathur , Sayan Ranu

Generating realistic graph-structured data is challenging due to discrete structures, variable sizes, and class-specific connectivity patterns that resist conventional generative modelling. While recent graph generation methods employ…

Machine Learning · Computer Science 2026-02-02 Seyedeh Ava Razi Razavi , James Sargant , Sheridan Houghten , Renata Dividino

Conditioning image generation on specific features of the desired output is a key ingredient of modern generative models. However, existing approaches lack a general and unified way of representing structural and semantic conditioning at…

Computer Vision and Pattern Recognition · Computer Science 2024-07-08 Luca Butera , Andrea Cini , Alberto Ferrante , Cesare Alippi

Designing molecules with specific properties is a long-lasting research problem and is central to advancing crucial domains such as drug discovery and material science. Recent advances in deep graph generative models treat molecule design…

Machine Learning · Computer Science 2022-03-02 Yuanqi Du , Xiaojie Guo , Amarda Shehu , Liang Zhao

Graph Neural Networks (GNNs) unlock new ways of learning from graph-structured data, proving highly effective in capturing complex relationships and patterns. Federated GNNs (FGNNs) have emerged as a prominent distributed learning paradigm…

Machine Learning · Computer Science 2026-01-23 Xiuling Wang , Xin Huang , Haibo Hu , Jianliang Xu

Vector graphics are essential in design, providing artists with a versatile medium for creating resolution-independent and highly editable visual content. Recent advancements in vision-language and diffusion models have fueled interest in…

Computer Vision and Pattern Recognition · Computer Science 2025-01-08 Sagi Polaczek , Yuval Alaluf , Elad Richardson , Yael Vinker , Daniel Cohen-Or

Advancements in generative models have sparked significant interest in generating images while adhering to specific structural guidelines. Scene graph to image generation is one such task of generating images which are consistent with the…

Computer Vision and Pattern Recognition · Computer Science 2024-07-23 Rameshwar Mishra , A V Subramanyam

Learning to generate graphs is challenging as a graph is a set of pairwise connected, unordered nodes encoding complex combinatorial structures. Recently, several works have proposed graph generative models based on normalizing flows or…

Machine Learning · Computer Science 2023-06-21 Xiaohui Chen , Yukun Li , Aonan Zhang , Li-Ping Liu

Large graphs are present in a variety of domains, including social networks, civil infrastructure, and the physical sciences to name a few. Graph generation is similarly widespread, with applications in drug discovery, network analysis and…

Machine Learning · Computer Science 2023-11-08 Alex O. Davies , Nirav S. Ajmeri , Telmo M. Silva Filho

Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social…

Machine Learning · Computer Science 2020-10-12 Emanuele Rossi , Ben Chamberlain , Fabrizio Frasca , Davide Eynard , Federico Monti , Michael Bronstein

Sparse graph recovery methods work well where the data follows their assumptions but often they are not designed for doing downstream probabilistic queries. This limits their adoption to only identifying connections among the input…

Machine Learning · Computer Science 2024-10-23 Harsh Shrivastava , Urszula Chajewska

Graph Neural Networks (GNNs) have become a building block in graph data processing, with wide applications in critical domains. The growing needs to deploy GNNs in high-stakes applications necessitate explainability for users in the…

Graph generation is a critical yet challenging task, as empirical analyses require a deep understanding of complex, non-Euclidean structures. Diffusion models have recently made significant advances in graph generation, but these models are…

Machine Learning · Computer Science 2026-03-13 Yiming Huang , Tolga Birdal

We provide a novel approach to construct generative models for graphs. Instead of using the traditional probabilistic models or deep generative models, we propose to instead find an algorithm that generates the data. We achieve this using…

Machine Learning · Computer Science 2023-04-26 Mihai Babiac , Karolis Martinkus , Roger Wattenhofer
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