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Conditional generative models, particularly diffusion-based methods, have recently been applied to graph prediction by modeling the target as a conditional distribution given the input graph, yielding competitive results compared to…

Artificial Intelligence · Computer Science 2026-05-08 Shaozhen Ma , Wei Huang , Hanchen Wang , Dong Wen , Wenjie Zhang

Graph data structures are fundamental for studying connected entities. With an increase in the number of applications where data is represented as graphs, the problem of graph generation has recently become a hot topic. However, despite its…

Understanding and predicting interface diffusion phenomena in materials is crucial for various industrial applications, including semiconductor manufacturing, battery technology, and catalysis. In this study, we propose a novel approach…

Materials Science · Physics 2025-01-13 Zirui Zhao , Hai-Feng Li

Data generation is a fundamental research problem in data management due to its diverse use cases, ranging from testing database engines to data-specific applications. However, real-world entities often involve complex interactions that…

Databases · Computer Science 2024-12-13 Fan Li , Xiaoyang Wang , Dawei Cheng , Cong Chen , Ying Zhang , Xuemin Lin

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

Diffusion models have excelled in generating natural images and are now being adapted to a variety of data types, including graphs. However, conventional models often rely on Gaussian or categorical diffusion processes, which can struggle…

Machine Learning · Computer Science 2024-10-08 Xinyang Liu , Yilin He , Bo Chen , Mingyuan Zhou

Although neural networks achieve promising performance in many tasks, they may still fail when encountering some examples and bring about risks to applications. To discover risky samples, previous literature attempts to search for patterns…

Machine Learning · Computer Science 2025-12-23 Han Yu , Hao Zou , Xingxuan Zhang , Zhengyi Wang , Yue He , Kehan Li , Peng Cui

Diffusion generative models (DMs) have achieved promising results in image and graph generation. However, real-world graphs, such as social networks, molecular graphs, and traffic graphs, generally share non-Euclidean topologies and hidden…

Machine Learning · Computer Science 2024-01-04 Lingfeng Wen , Xuan Tang , Mingjie Ouyang , Xiangxiang Shen , Jian Yang , Daxin Zhu , Mingsong Chen , Xian Wei

Graph neural networks (GNNs), especially dynamic GNNs, have become a research hotspot in spatio-temporal forecasting problems. While many dynamic graph construction methods have been developed, relatively few of them explore the causal…

Machine Learning · Computer Science 2023-05-18 Guojun Liang , Prayag Tiwari , Sławomir Nowaczyk , Stefan Byttner , Fernando Alonso-Fernandez

The social graphs synthesized by the generative models are increasingly in demand due to data scarcity and concerns over user privacy. One of the key performance criteria for generating social networks is the fidelity to specified…

Social and Information Networks · Computer Science 2023-11-07 Jui-Yi Tsai , Ya-Wen Teng , Ho Chiok Yew , De-Nian Yang , Lydia Y. Chen

There has been a growing interest in developing diffusion-based Graph Neural Networks (GNNs), building on the connections between message passing mechanisms in GNNs and physical diffusion processes. However, existing methods suffer from…

Machine Learning · Computer Science 2025-08-18 Asela Hevapathige , Asiri Wijesinghe , Ahad N. Zehmakan

In document classification, graph-based models effectively capture document structure, overcoming sequence length limitations and enhancing contextual understanding. However, most existing graph document representations rely on heuristics,…

Computation and Language · Computer Science 2025-08-05 Margarita Bugueño , Gerard de Melo

Denoising diffusion models are a novel class of generative algorithms that achieve state-of-the-art performance across a range of domains, including image generation and text-to-image tasks. Building on this success, diffusion models have…

Machine Learning · Computer Science 2024-03-08 Nic Fishman , Leo Klarner , Valentin De Bortoli , Emile Mathieu , Michael Hutchinson

Diffusion models excel at creating visually impressive images but often struggle to generate images with a specified topology. The Betti number, which represents the number of structures in an image, is a fundamental measure in topology.…

Computer Vision and Pattern Recognition · Computer Science 2025-03-24 Saumya Gupta , Dimitris Samaras , Chao Chen

Spatial-temporal graph modeling is an important task to analyze the spatial relations and temporal trends of components in a system. Existing approaches mostly capture the spatial dependency on a fixed graph structure, assuming that the…

Machine Learning · Computer Science 2019-06-04 Zonghan Wu , Shirui Pan , Guodong Long , Jing Jiang , Chengqi Zhang

Traffic forecasting approaches are critical to developing adaptive strategies for mobility. Traffic patterns have complex spatial and temporal dependencies that make accurate forecasting on large highway networks a challenging task.…

Machine Learning · Computer Science 2020-07-23 Tanwi Mallick , Prasanna Balaprakash , Eric Rask , Jane Macfarlane

Graph neural networks (GNNs) have achieved remarkable success in various domains, yet they often struggle with domain adaptation due to significant structural distribution shifts and insufficient exploration of transferable patterns. One of…

Machine Learning · Computer Science 2025-10-16 Haoyu Zhang , Yuxuan Cheng , Wenqi Fan , Yulong Chen , Yifan Zhang

Motivated by the burgeoning interest in cross-domain learning, we present a novel generative modeling challenge: generating counterfactual samples in a target domain based on factual observations from a source domain. Our approach operates…

Graph, as an important data representation, is ubiquitous in many real world applications ranging from social network analysis to biology. How to correctly and effectively learn and extract information from graph is essential for a large…

Machine Learning · Computer Science 2020-10-27 Xiaodong Jiang , Ronghang Zhu , Pengsheng Ji , Sheng Li

Trajectory prediction facilitates effective planning and decision-making, while constrained trajectory prediction integrates regulation into prediction. Recent advances in constrained trajectory prediction focus on structured constraints by…

Robotics · Computer Science 2025-03-19 Hao Ma , Zhiqiang Pu , Shijie Wang , Boyin Liu , Huimu Wang , Yanyan Liang , Jianqiang Yi
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