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Diffusion-based voxel prior modelling is challenging for the reconstruction of large-scale 3D porous microstructures. Due to the demanding requirements for simultaneously modelling both the continuous pore morphology and the discrete…

Computer Vision and Pattern Recognition · Computer Science 2026-05-06 Yue Shi , Peng Wang , Mingzhe Yu , Yunlong Zhao , Li Liu , Gareth D Hatton , Yan Lyu , Liangxiu Han

In heterogeneous graphs, we can observe complex structures such as tree-like or hierarchical structures. Recently, the hyperbolic space has been widely adopted in many studies to effectively learn these complex structures. Although these…

Machine Learning · Computer Science 2026-01-14 Jongmin Park , Seunghoon Han , Hyewon Lee , Won-Yong Shin , Sungsu Lim

Hyperbolic geometry has emerged as an effective latent space for representing complex networks, owing to its ability to capture hierarchical organization and heterogeneous connectivity patterns using low-dimensional embeddings. As a result,…

Machine Learning · Computer Science 2026-05-01 Sofía Pérez Casulo , Marcelo Fiori , Bernardo Marenco , Federico Larroca

Improving the quality of hyperspectral images (HSIs), such as through super-resolution, is a crucial research area. However, generative modeling for HSIs presents several challenges. Due to their high spectral dimensionality, HSIs are too…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Sirui Wang , Jiang He , Natàlia Blasco Andreo , Xiao Xiang Zhu

Graph generative modelling has become an essential task due to the wide range of applications in chemistry, biology, social networks, and knowledge representation. In this work, we propose a novel framework for generating graphs by adapting…

Machine Learning · Statistics 2026-02-04 Anthony Stephenson , Ian Gallagher , Christopher Nemeth

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…

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

Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. However, existing approaches only operate on static…

Computer Vision and Pattern Recognition · Computer Science 2024-10-18 Jiaqi Han , Minkai Xu , Aaron Lou , Haotian Ye , Stefano Ermon

Diffusion models have shown great promise for image generation, beating GANs in terms of generation diversity, with comparable image quality. However, their application to 3D shapes has been limited to point or voxel representations that…

Computer Vision and Pattern Recognition · Computer Science 2022-12-16 Gimin Nam , Mariem Khlifi , Andrew Rodriguez , Alberto Tono , Linqi Zhou , Paul Guerrero

In this paper, we propose the first framework that enables solving graph learning tasks of all levels (node, edge and graph) and all types (generation, regression and classification) using one formulation. We first formulate prediction…

Machine Learning · Computer Science 2024-11-01 Cai Zhou , Xiyuan Wang , Muhan Zhang

The efficiency of multi-agent systems driven by large language models (LLMs) largely hinges on their communication topology. However, designing an optimal topology is a non-trivial challenge, as it requires balancing competing objectives…

Computation and Language · Computer Science 2026-05-19 Eric Hanchen Jiang , Mengting Li , Guancheng Wan , Sophia Yin , Yuchen Wu , Xiao Liang , Xinfeng Li , Yizhou Sun , Wei Wang , Kai-Wei Chang , Ying Nian Wu

Diffusion-based graph generative models have recently obtained promising results for graph generation. However, existing diffusion-based graph generative models are mostly one-shot generative models that apply Gaussian diffusion in the…

Artificial Intelligence · Computer Science 2023-07-19 Lingkai Kong , Jiaming Cui , Haotian Sun , Yuchen Zhuang , B. Aditya Prakash , Chao Zhang

Generative models, especially diffusion models (DMs), have achieved promising results for generating feature-rich geometries and advancing foundational science problems such as molecule design. Inspired by the recent huge success of Stable…

Machine Learning · Computer Science 2023-05-03 Minkai Xu , Alexander Powers , Ron Dror , Stefano Ermon , Jure Leskovec

n this work, we propose a latent molecular diffusion model that can make the generated 3D molecules rich in diversity and maintain rich geometric features. The model captures the information of the forces and local constraints between atoms…

Machine Learning · Computer Science 2024-12-06 Xiang Chen

Recent advances in generative modeling, namely Diffusion models, have revolutionized generative modeling, enabling high-quality image generation tailored to user needs. This paper proposes a framework for the generative design of structural…

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

Functional brain graphs are often characterized with separate graph-theoretic or spectral descriptors, overlooking how these properties covary and partially overlap across brains and conditions. We anticipate that dense, weighted functional…

Neurons and Cognition · Quantitative Biology 2025-11-07 Subati Abulikemu , Tiago Azevedo , Michail Mamalakis , John Suckling

We present Surf-D, a novel method for generating high-quality 3D shapes as Surfaces with arbitrary topologies using Diffusion models. Previous methods explored shape generation with different representations and they suffer from limited…

Computer Vision and Pattern Recognition · Computer Science 2024-07-25 Zhengming Yu , Zhiyang Dou , Xiaoxiao Long , Cheng Lin , Zekun Li , Yuan Liu , Norman Müller , Taku Komura , Marc Habermann , Christian Theobalt , Xin Li , Wenping Wang

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

We study the problem of generating graph signals from unknown distributions defined over given graphs, relevant to domains such as recommender systems or sensor networks. Our approach builds on generative diffusion models, which are well…

Machine Learning · Computer Science 2025-10-07 Sergio Rozada , Vimal K. B. , Andrea Cavallo , Antonio G. Marques , Hadi Jamali-Rad , Elvin Isufi