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Graph is powerful for representing various types of real-world data. The topology (edges' presence) and edges' features of a graph decides the message passing mechanism among vertices within the graph. While most existing approaches only…

Machine Learning · Computer Science 2022-11-23 Siyang Song , Yuxin Song , Cheng Luo , Zhiyuan Song , Selim Kuzucu , Xi Jia , Zhijiang Guo , Weicheng Xie , Linlin Shen , Hatice Gunes

Graphs are a fundamental abstraction for modeling relational data. However, graphs are discrete and combinatorial in nature, and learning representations suitable for machine learning tasks poses statistical and computational challenges. In…

Machine Learning · Statistics 2019-05-16 Aditya Grover , Aaron Zweig , Stefano Ermon

Recent work in graph models has found that probabilistic hyperedge replacement grammars (HRGs) can be extracted from graphs and used to generate new random graphs with graph properties and substructures close to the original. In this paper,…

Social and Information Networks · Computer Science 2018-06-22 Xinyi Wang , Salvador Aguinaga , Tim Weninger , David Chiang

We introduce the framework of continuous-depth graph neural networks (GNNs). Neural graph differential equations (Neural GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of GNN…

Machine Learning · Computer Science 2021-06-23 Michael Poli , Stefano Massaroli , Clayton M. Rabideau , Junyoung Park , Atsushi Yamashita , Hajime Asama , Jinkyoo Park

Graph neural networks (GNNs) leverage message passing mechanisms to learn the topological features of graph data. Traditional GNNs learns node features in a spatial domain unrelated to the topology, which can hardly ensure topological…

Machine Learning · Computer Science 2025-05-30 Juwei Yue , Haikuo Li , Jiawei Sheng , Xiaodong Li , Taoyu Su , Tingwen Liu , Li Guo

Exploring the dynamic co-evolution of multiplex graphs and nodal attributes is a compelling question in criminal and terrorism networks. This article is motivated by the study of dynamically evolving interactions among prominent terrorist…

Applications · Statistics 2026-03-24 Jose Rodriguez-Acosta , Sharmistha Guha , Lekha Patel , Kurtis Shuler

In graph signal processing, learning the weighted connections between nodes from a set of sample signals is a fundamental task when the underlying relationships are not known a priori. This task is typically addressed by finding a graph…

Machine Learning · Computer Science 2025-06-30 Benjamin T. Brown , Haoxiang Zhang , Daniel L. Lau , Gonzalo R. Arce

Forecasting over graph-structured sensor networks demands models that capture both deterministic spatial trends and stochastic variability, while remaining efficient enough for repeated inference as new observations arrive. We propose…

Machine Learning · Computer Science 2026-04-02 Hanlin Dong , Arian Prabowo , Hao Xue , Ao Shuang , Tianyi Zhou , Flora D. Salim

Energy-based models for discrete domains, such as graphs, explicitly capture relative likelihoods, naturally enabling composable probabilistic inference tasks like conditional generation or enforcing constraints at test-time. However,…

Topological features based on persistent homology capture high-order structural information so as to augment graph neural network methods. However, computing extended persistent homology summaries remains slow for large and dense graphs and…

Machine Learning · Computer Science 2022-11-16 Zuoyu Yan , Tengfei Ma , Liangcai Gao , Zhi Tang , Yusu Wang , Chao Chen

Graph neural network (GNN) has gained increasing popularity in recent years owing to its capability and flexibility in modeling complex graph structure data. Among all graph learning methods, hypergraph learning is a technique for exploring…

Machine Learning · Computer Science 2024-12-31 Tiehua Zhang , Yuze Liu , Zhishu Shen , Xingjun Ma , Peng Qi , Zhijun Ding , Jiong Jin

Graph Neural Networks (GNNs) are characterized by their capacity of processing graph-structured data. However, due to the sparsity of labels under semi-supervised learning, they have been found to exhibit biased performance on specific…

Machine Learning · Computer Science 2025-12-16 Yihan Zhang

Graph neural networks have become an important tool for modeling structured data. In many real-world systems, intricate hidden information may exist, e.g., heterogeneity in nodes/edges, static node/edge attributes, and spatiotemporal…

Machine Learning · Computer Science 2020-10-12 Yucheng Lin , Huiting Hong , Xiaoqing Yang , Xiaodi Yang , Pinghua Gong , Jieping Ye

Hypergraph neural networks (HGNNs) have shown remarkable potential in modeling high-order relationships that naturally arise in many real-world data domains. However, existing HGNNs often suffer from shallow propagation, oversmoothing, and…

Machine Learning · Computer Science 2026-04-14 Zhiheng Zhou , Mengyao Zhou , Xixun Lin , Xingqin Qi , Guiying Yan

Heterogeneous graphs (HGs) are common in real-world scenarios and often exhibit heterophily. However, most existing studies focus on either heterogeneity or heterophily in isolation, overlooking the prevalence of heterophilic HGs in…

Machine Learning · Computer Science 2025-08-11 Qin Chen , Guojie Song

Learning-based methods have become increasingly popular for solving vehicle routing problems due to their near-optimal performance and fast inference speed. Among them, the combination of deep reinforcement learning and graph representation…

Machine Learning · Computer Science 2024-05-22 Zhenwei Wang , Ruibin Bai , Fazlullah Khan , Ender Ozcan , Tiehua Zhang

Real-world multi-agent systems are often dynamic and continuous, where the agents co-evolve and undergo changes in their trajectories and interactions over time. For example, the COVID-19 transmission in the U.S. can be viewed as a…

Machine Learning · Computer Science 2024-03-04 Zijie Huang , Jeehyun Hwang , Junkai Zhang , Jinwoo Baik , Weitong Zhang , Dominik Wodarz , Yizhou Sun , Quanquan Gu , Wei Wang

Learning the underlying distribution of molecular graphs and generating high-fidelity samples is a fundamental research problem in drug discovery and material science. However, accurately modeling distribution and rapidly generating novel…

Machine Learning · Computer Science 2023-05-24 Han Huang , Leilei Sun , Bowen Du , Weifeng Lv

The efficiency and scalability of graph convolution networks (GCNs) in training recommender systems (RecSys) have been persistent concerns, hindering their deployment in real-world applications. This paper presents a critical examination of…

Machine Learning · Computer Science 2024-07-30 Weizhi Zhang , Liangwei Yang , Zihe Song , Henry Peng Zou , Ke Xu , Liancheng Fang , Philip S. Yu

Graph neural networks have shown remarkable success in exploiting the spatial and temporal patterns on dynamic graphs. However, existing GNNs exhibit poor generalization ability under distribution shifts, which is inevitable in dynamic…

Machine Learning · Computer Science 2025-11-25 Qingyun Sun , Jiayi Luo , Haonan Yuan , Xingcheng Fu , Hao Peng , Jianxin Li , Philip S. Yu