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Generating graph-structured data requires learning the underlying distribution of graphs. Yet, this is a challenging problem, and the previous graph generative methods either fail to capture the permutation-invariance property of graphs or…

Machine Learning · Computer Science 2022-06-16 Jaehyeong Jo , Seul Lee , Sung Ju Hwang

Score-based diffusion models have emerged as one of the most promising frameworks for deep generative modelling. In this work we conduct a systematic comparison and theoretical analysis of different approaches to learning conditional…

Machine Learning · Computer Science 2021-11-29 Georgios Batzolis , Jan Stanczuk , Carola-Bibiane Schönlieb , Christian Etmann

Generative modeling has drawn much attention in creative and scientific data generation tasks. Score-based Diffusion Models, a type of generative model that iteratively learns to denoise data, have shown state-of-the-art results on tasks…

Robotics · Computer Science 2024-05-21 Tyler Presser , Agnimitra Dasgupta , Daniel Erwin , Assad Oberai

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

While score based generative models, or diffusion models, have found success in image synthesis, they are often coupled with text data or image label to be able to manipulate and conditionally generate images. Even though manipulation of…

Computer Vision and Pattern Recognition · Computer Science 2023-02-07 Sandesh Ghimire , Armand Comas , Davin Hill , Aria Masoomi , Octavia Camps , Jennifer Dy

Particle-based deep generative models, such as gradient flows and score-based diffusion models, have recently gained traction thanks to their striking performance. Their principle of displacing particle distributions using differential…

Theories with a sign problem due to a complex action or Boltzmann weight can sometimes be numerically solved using a stochastic process in the complexified configuration space. However, the probability distribution effectively sampled by…

High Energy Physics - Lattice · Physics 2025-10-06 Gert Aarts , Diaa E. Habibi , Lingxiao Wang , Kai Zhou

We introduce a novel class of score-based diffusion processes that operate directly in the representation space of Lie groups. Leveraging the framework of Generalized Score Matching, we derive a class of Langevin dynamics that decomposes as…

Machine Learning · Computer Science 2025-10-28 Marco Bertolini , Tuan Le , Djork-Arné Clevert

Generative models such as diffusion models have achieved remarkable success in state-of-the-art image and text tasks. Recently, score-based diffusion models have extended their success beyond image generation, showing competitive…

Machine Learning · Computer Science 2024-11-27 Jia Jun Cheng Xian , Sadegh Mahdavi , Renjie Liao , Oliver Schulte

Score-based diffusion modeling is a generative machine learning algorithm that can be used to sample from complex distributions. They achieve this by learning a score function, i.e., the gradient of the log-probability density of the data,…

Machine Learning · Computer Science 2025-12-17 Dibyajyoti Chakraborty , Haiwen Guan , Jason Stock , Troy Arcomano , Guido Cervone , Romit Maulik

In this work, we investigated the application of score-based gradient learning in discriminative and generative classification settings. Score function can be used to characterize data distribution as an alternative to density. It can be…

Machine Learning · Computer Science 2022-07-25 Yongchao Huang

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

Learning a categorical distribution comes with its own set of challenges. A successful approach taken by state-of-the-art works is to cast the problem in a continuous domain to take advantage of the impressive performance of the generative…

Machine Learning · Computer Science 2023-03-09 Florence Regol , Mark Coates

Diffusion models have recently emerged as a powerful framework for generative modeling. They consist of a forward process that perturbs input data with Gaussian white noise and a reverse process that learns a score function to generate…

Generation of graphs is a major challenge for real-world tasks that require understanding the complex nature of their non-Euclidean structures. Although diffusion models have achieved notable success in graph generation recently, they are…

Machine Learning · Computer Science 2024-06-04 Jaehyeong Jo , Dongki Kim , Sung Ju Hwang

Scene graphs (SGs) represent objects and their relationships as structured graphs, enabling applications in image generation, robotics, and 3D understanding. Recent work suggests that conditioning image generation on scene graphs improves…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Rajalaxmi Rajagopalan , Romit Roy Choudhury

Diffusion models have become a new SOTA generative modeling method in various fields, for which there are multiple survey works that provide an overall survey. With the number of articles on diffusion models increasing exponentially in the…

Machine Learning · Computer Science 2023-04-05 Mengchun Zhang , Maryam Qamar , Taegoo Kang , Yuna Jung , Chenshuang Zhang , Sung-Ho Bae , Chaoning Zhang

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

The discovery of inorganic crystal structures with targeted properties is a significant challenge in materials science. Generative models, especially state-of-the-art diffusion models, offer the promise of modeling complex data…

We survey continuous-time generative modeling methods based on transporting a simple reference distribution to a data distribution via stochastic or deterministic dynamics. We present a unified framework in which diffusion models,…

Machine Learning · Computer Science 2026-05-11 Aditya Ranganath , Mukesh Singhal
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