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These lecture notes introduce the statistical analysis of continuous-time generative models built from Markov dynamics. We begin with the stochastic-calculus foundations of score-based diffusion models, including time reversal, score…

Statistics Theory · Mathematics 2026-04-27 Eddie Aamari , Arthur Stéphanovitch

Graph Neural Networks (GNNs) are important across different domains, such as social network analysis and recommendation systems, due to their ability to model complex relational data. This paper introduces subgraph queries as a new task for…

Machine Learning · Computer Science 2024-08-09 Erfaneh Mahmoudzadeh , Parmis Naddaf , Kiarash Zahirnia , Oliver Schulte

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

Recently, there has been a growing interest in generative models based on diffusions driven by the empirical robustness of these methods in generating high-dimensional photorealistic images and the possibility of using the vast existing…

Machine Learning · Statistics 2025-05-13 Jairon H. N. Batista , Flávio B. Gonçalves , Yuri F. Saporito , Rodrigo S. Targino

Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in…

Machine Learning · Computer Science 2023-02-21 Andrea Cini , Ivan Marisca , Filippo Maria Bianchi , Cesare Alippi

The burgeoning volume of graph data presents significant computational challenges in training graph neural networks (GNNs), critically impeding their efficiency in various applications. To tackle this challenge, graph condensation (GC) has…

Machine Learning · Computer Science 2024-06-13 Xinyi Gao , Tong Chen , Wentao Zhang , Yayong Li , Xiangguo Sun , Hongzhi Yin

In real world domains, most graphs naturally exhibit a hierarchical structure. However, data-driven graph generation is yet to effectively capture such structures. To address this, we propose a novel approach that recursively generates…

Machine Learning · Computer Science 2023-06-01 Mahdi Karami , Jun Luo

Diffusion models have been widely studied as effective generative tools for solving inverse problems. The main ideas focus on performing the reverse sampling process conditioned on noisy measurements, using well-established numerical…

Numerical Analysis · Mathematics 2024-10-29 Xiang Cao , Xiaoqun Zhang

Modeling generative process of growing graphs has wide applications in social networks and recommendation systems, where cold start problem leads to new nodes isolated from existing graph. Despite the emerging literature in learning graph…

Machine Learning · Computer Science 2019-06-03 Da Xu , Chuanwei Ruan , Kamiya Motwani , Evren Korpeoglu , Sushant Kumar , Kannan Achan

A fundamental challenge in graph learning is understanding how models generalize to new, unseen graphs. While synthetic benchmarks offer controlled settings for analysis, existing approaches are confined to single-graph, transductive…

Machine Learning · Computer Science 2026-03-03 Louis Van Langendonck , Guillermo Bernárdez , Nina Miolane , Pere Barlet-Ros

Score-based generative models have demonstrated significant practical success in data-generating tasks. The models establish a diffusion process that perturbs the ground truth data to Gaussian noise and then learn the reverse process to…

Machine Learning · Computer Science 2024-05-24 Ziqing Wen , Xiaoge Deng , Ping Luo , Tao Sun , Dongsheng Li

Hypergraphs are powerful mathematical structures that can model complex, high-order relationships in various domains, including social networks, bioinformatics, and recommender systems. However, generating realistic and diverse hypergraphs…

Machine Learning · Computer Science 2026-03-11 Dorian Gailhard , Enzo Tartaglione , Lirida Naviner , Jhony H. Giraldo

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

The dominant paradigm for machine learning on graphs uses Message Passing Graph Neural Networks (MP-GNNs), in which node representations are updated by aggregating information in their local neighborhood. Recently, there have been…

Machine Learning · Computer Science 2023-03-02 Daniel Glickman , Eran Yahav

Hypergraph data, which capture multi-way interactions among entities, are increasingly prevalent in the big data era. Generating new hyperlinks from an observed, usually high-dimensional hypergraph is an important yet challenging task with…

Methodology · Statistics 2026-05-14 Shihao Wu , Junyi Yang , Gongjun Xu , Ji Zhu

While Hyperbolic Graph Neural Network (HGNN) has recently emerged as a powerful tool dealing with hierarchical graph data, the limitations of scalability and efficiency hinder itself from generalizing to deep models. In this paper, by…

Machine Learning · Computer Science 2024-06-10 Jiaxu Liu , Xinping Yi , Sihao Wu , Xiangyu Yin , Tianle Zhang , Xiaowei Huang , Shi Jin

Graph Gaussian Processes (GGPs) provide a data-efficient solution on graph structured domains. Existing approaches have focused on static structures, whereas many real graph data represent a dynamic structure, limiting the applications of…

Machine Learning · Computer Science 2021-11-04 David Blanco-Mulero , Markus Heinonen , Ville Kyrki

Graph neural networks (GNNs) have shown promising results across various graph learning tasks, but they often assume homophily, which can result in poor performance on heterophilic graphs. The connected nodes are likely to be from different…

Machine Learning · Computer Science 2023-05-31 Kai Zhao , Qiyu Kang , Yang Song , Rui She , Sijie Wang , Wee Peng Tay

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

The recent deep generative models for static graphs that are now being actively developed have achieved significant success in areas such as molecule design. However, many real-world problems involve temporal graphs whose topology and…

Machine Learning · Computer Science 2021-03-09 Liming Zhang , Liang Zhao , Shan Qin , Dieter Pfoser