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The Graph Edit Distance (GED) problem, which aims to compute the minimum number of edit operations required to transform one graph into another, is a fundamental challenge in graph analysis with wide-ranging applications. However, due to…

Machine Learning · Computer Science 2025-03-25 Wei Huang , Hanchen Wang , Dong Wen , Wenjie Zhang , Ying Zhang , Xuemin Lin

Learning graph generative models is a challenging task for deep learning and has wide applicability to a range of domains like chemistry, biology and social science. However current deep neural methods suffer from limited scalability: for a…

Machine Learning · Computer Science 2020-06-30 Hanjun Dai , Azade Nazi , Yujia Li , Bo Dai , Dale Schuurmans

Inverse molecular design with diffusion models holds great potential for advancements in material and drug discovery. Despite success in unconditional molecular generation, integrating multiple properties such as synthetic score and gas…

Machine Learning · Computer Science 2024-10-04 Gang Liu , Jiaxin Xu , Tengfei Luo , Meng Jiang

Previously, non-autoregressive models were widely perceived as being superior in generation efficiency but inferior in generation quality due to the difficulties of modeling multiple target modalities. To enhance the multi-modality modeling…

Computation and Language · Computer Science 2023-11-30 Lihua Qian , Mingxuan Wang , Yang Liu , Hao Zhou

Discrete-time diffusion-based generative models and score matching methods have shown promising results in modeling high-dimensional image data. Recently, Song et al. (2021) show that diffusion processes that transform data into noise can…

Machine Learning · Computer Science 2021-10-01 Chin-Wei Huang , Jae Hyun Lim , Aaron Courville

We introduce a general framework for solving partial differential equations (PDEs) using generative diffusion models. In particular, we focus on the scenarios where we do not have the full knowledge of the scene necessary to apply classical…

Machine Learning · Computer Science 2024-11-04 Jiahe Huang , Guandao Yang , Zichen Wang , Jeong Joon Park

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

Graph neural networks (GNNs) have exhibited exceptional efficacy in a diverse array of applications. However, the sheer size of large-scale graphs presents a significant challenge to real-time inference with GNNs. Although existing Scalable…

Machine Learning · Computer Science 2023-12-13 Xinyi Gao , Wentao Zhang , Junliang Yu , Yingxia Shao , Quoc Viet Hung Nguyen , Bin Cui , Hongzhi Yin

Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize…

Machine Learning · Computer Science 2025-06-04 Xiaohui Chen , Yinkai Wang , Jiaxing He , Yuanqi Du , Soha Hassoun , Xiaolin Xu , Li-Ping Liu

Graph processes exhibit a temporal structure determined by the sequence index and and a spatial structure determined by the graph support. To learn from graph processes, an information processing architecture must then be able to exploit…

Signal Processing · Electrical Eng. & Systems 2020-12-02 Luana Ruiz , Fernando Gama , Alejandro Ribeiro

Source localization is the inverse problem of graph information dissemination and has broad practical applications. However, the inherent intricacy and uncertainty in information dissemination pose significant challenges, and the ill-posed…

Machine Learning · Computer Science 2023-04-19 Bosong Huang , Weihao Yu , Ruzhong Xie , Jing Xiao , Jin Huang

Denoising diffusion models are a powerful type of generative models used to capture complex distributions of real-world signals. However, their applicability is limited to scenarios where training samples are readily available, which is not…

Computer Vision and Pattern Recognition · Computer Science 2023-11-20 Ayush Tewari , Tianwei Yin , George Cazenavette , Semon Rezchikov , Joshua B. Tenenbaum , Frédo Durand , William T. Freeman , Vincent Sitzmann

Graphs are ubiquitous real-world data structures, and generative models that approximate distributions over graphs and derive new samples from them have significant importance. Among the known challenges in graph generation tasks,…

Machine Learning · Computer Science 2019-10-04 Wataru Kawai , Yusuke Mukuta , Tatsuya Harada

Recent methods using diffusion models have made significant progress in human image generation with various control signals such as pose priors. However, existing efforts are still struggling to generate high-quality images with consistent…

Computer Vision and Pattern Recognition · Computer Science 2024-12-30 Xiangchen Yin , Donglin Di , Lei Fan , Hao Li , Wei Chen , Xiaofei Gou , Yang Song , Xiao Sun , Xun Yang

Denoising diffusion probabilistic models and score-matching models have proven to be very powerful for generative tasks. While these approaches have also been applied to the generation of discrete graphs, they have, so far, relied on…

Machine Learning · Computer Science 2023-08-17 Kilian Konstantin Haefeli , Karolis Martinkus , Nathanaël Perraudin , Roger Wattenhofer

One of the most discussed issues in graph generative modeling is the ordering of the representation. One solution consists of using equivariant generative functions, which ensure the ordering invariance. After having discussed some…

Machine Learning · Computer Science 2021-12-08 Yoann Boget , Magda Gregorova , Alexandros Kalousis

Graph Transformers (GTs) have demonstrated great effectiveness across various graph analytical tasks. However, the existing GTs focus on training and testing graph data originated from the same distribution, but fail to generalize under…

Machine Learning · Computer Science 2026-03-16 Tianyin Liao , Ziwei Zhang , Yufei Sun , Chunyu Hu , Jianxin Li

Existing image restoration methods mostly leverage the posterior distribution of natural images. However, they often assume known degradation and also require supervised training, which restricts their adaptation to complex real…

Computer Vision and Pattern Recognition · Computer Science 2023-04-05 Ben Fei , Zhaoyang Lyu , Liang Pan , Junzhe Zhang , Weidong Yang , Tianyue Luo , Bo Zhang , Bo Dai

This work introduces DiGress, a discrete denoising diffusion model for generating graphs with categorical node and edge attributes. Our model utilizes a discrete diffusion process that progressively edits graphs with noise, through the…

Machine Learning · Computer Science 2023-05-24 Clement Vignac , Igor Krawczuk , Antoine Siraudin , Bohan Wang , Volkan Cevher , Pascal Frossard

Graph-based computations are crucial in a wide range of applications, where graphs can scale to trillions of edges. To enable efficient training on such large graphs, mini-batch subgraph sampling is commonly used, which allows training…

Machine Learning · Computer Science 2025-04-04 Yue Jin , Yongchao Liu , Chuntao Hong