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Generating graph structures is a challenging problem due to the diverse representations and complex dependencies among nodes. In this paper, we introduce Graph Variational Recurrent Neural Network (GraphVRNN), a probabilistic autoregressive…

Machine Learning · Computer Science 2019-10-07 Shih-Yang Su , Hossein Hajimirsadeghi , Greg Mori

We introduce graph normalizing flows: a new, reversible graph neural network model for prediction and generation. On supervised tasks, graph normalizing flows perform similarly to message passing neural networks, but at a significantly…

Machine Learning · Computer Science 2019-05-31 Jenny Liu , Aviral Kumar , Jimmy Ba , Jamie Kiros , Kevin Swersky

This paper proposes an autoregressive (AR) model for sequences of graphs, which generalises traditional AR models. A first novelty consists in formalising the AR model for a very general family of graphs, characterised by a variable…

Machine Learning · Computer Science 2019-03-19 Daniele Zambon , Daniele Grattarola , Lorenzo Livi , Cesare Alippi

Diffusion models have gained popularity in graph generation tasks; however, the extent of their expressivity concerning the graph distributions they can learn is not fully understood. Unlike models in other domains, popular backbones for…

Machine Learning · Computer Science 2025-02-05 Xiyuan Wang , Yewei Liu , Lexi Pang , Siwei Chen , Muhan Zhang

Graph generation is a critical task across scientific domains. Existing methods fall broadly into two categories: autoregressive models, which iteratively expand graphs, and one-shot models, such as diffusion, which generate the full graph…

Machine Learning · Computer Science 2025-12-02 Nagham Osman , Keyue Jiang , Davide Buffelli , Xiaowen Dong , Laura Toni

The Origin-Destination~(OD) networks provide an estimation of the flow of people from every region to others in the city, which is an important research topic in transportation, urban simulation, etc. Given structural regional urban…

Machine Learning · Computer Science 2023-06-12 Can Rong , Jingtao Ding , Zhicheng Liu , Yong Li

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Biomolecules · Quantitative Biology 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

We introduce SeaDAG, a semi-autoregressive diffusion model for conditional generation of Directed Acyclic Graphs (DAGs). Considering their inherent layer-wise structure, we simulate layer-wise autoregressive generation by designing…

Machine Learning · Computer Science 2024-10-22 Xinyi Zhou , Xing Li , Yingzhao Lian , Yiwen Wang , Lei Chen , Mingxuan Yuan , Jianye Hao , Guangyong Chen , Pheng Ann Heng

Diffusion-based Deep Generative Models (DDGMs) offer state-of-the-art performance in generative modeling. Their main strength comes from their unique setup in which a model (the backward diffusion process) is trained to reverse the forward…

Machine Learning · Computer Science 2022-06-02 Kamil Deja , Anna Kuzina , Tomasz Trzciński , Jakub M. Tomczak

We provide a general framework for learning diffusion bridges that transport prior to target distributions. It includes existing diffusion models for generative modeling, but also underdamped versions with degenerate diffusion matrices,…

Machine Learning · Computer Science 2025-08-14 Denis Blessing , Julius Berner , Lorenz Richter , Gerhard Neumann

Diffusion models are central to generative modeling and have been adapted to graphs by diffusing adjacency matrix representations. The challenge of having up to $n!$ such representations for graphs with $n$ nodes is only partially mitigated…

Diffusion-based generative models represent a forefront direction in generative AI research today. Recent studies in physics have suggested that the renormalization group (RG) can be conceptualized as a diffusion process. This insight…

Disordered Systems and Neural Networks · Physics 2024-03-04 Artan Sheshmani , Yi-Zhuang You , Baturalp Buyukates , Amir Ziashahabi , Salman Avestimehr

Collaborative filtering is a critical technique in recommender systems. It has been increasingly viewed as a conditional generative task for user feedback data, where newly developed diffusion model shows great potential. However, existing…

Information Retrieval · Computer Science 2024-04-25 Yunqin Zhu , Chao Wang , Qi Zhang , Hui Xiong

Drawing from the theory of stochastic differential equations, we introduce a novel sampling method for known distributions and a new algorithm for diffusion generative models with unknown distributions. Our approach is inspired by the…

Statistics Theory · Mathematics 2024-07-12 Xicheng Zhang

This work presents a forward-only diffusion (FoD) approach for generative modelling. In contrast to traditional diffusion models that rely on a coupled forward-backward diffusion scheme, FoD directly learns data generation through a single…

Machine Learning · Computer Science 2025-09-29 Ziwei Luo , Fredrik K. Gustafsson , Jens Sjölund , Thomas B. Schön

Hypergraphs model higher-order interactions, but realistic hypergraph generation remains difficult because incidence, hyperedge-size heterogeneity, and overlap structure are not faithfully captured by pairwise reductions. We propose \HEDGE,…

Machine Learning · Statistics 2026-05-07 Christopher Nemeth

While diffusion models have shown great success in image generation, their noise-inverting generative process does not explicitly consider the structure of images, such as their inherent multi-scale nature. Inspired by diffusion models and…

Computer Vision and Pattern Recognition · Computer Science 2023-04-14 Severi Rissanen , Markus Heinonen , Arno Solin

We introduce Diffusion Active Learning, a novel approach that combines generative diffusion modeling with data-driven sequential experimental design to adaptively acquire data for inverse problems. Although broadly applicable, we focus on…

Machine Learning · Computer Science 2025-04-07 Luis Barba , Johannes Kirschner , Tomas Aidukas , Manuel Guizar-Sicairos , Benjamín Béjar

Generative modeling can be formulated as learning a mapping f such that its pushforward distribution matches the data distribution. The pushforward behavior can be carried out iteratively at inference time, for example in diffusion and…

Machine Learning · Computer Science 2026-02-09 Mingyang Deng , He Li , Tianhong Li , Yilun Du , Kaiming He

Diffusion models are powerful generative models that achieve state-of-the-art performance in image synthesis. However, training them demands substantial amounts of data and computational resources. Continual learning would allow for…

Machine Learning · Computer Science 2025-03-05 Sergi Masip , Pau Rodriguez , Tinne Tuytelaars , Gido M. van de Ven
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