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Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them…

Machine Learning · Computer Science 2020-03-04 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Yizhou Sun

Uncertainty quantification is essential for deploying reliable Graph Neural Networks (GNNs), where existing approaches primarily rely on Bayesian inference or ensembles. In this paper, we introduce the first credal graph neural networks…

Machine Learning · Computer Science 2025-12-03 Matteo Tolloso , Davide Bacciu

Graphs can model real-world, complex systems by representing entities and their interactions in terms of nodes and edges. To better exploit the graph structure, graph neural networks have been developed, which learn entity and edge…

Machine Learning · Computer Science 2022-06-06 Tong Liu , Yushan Liu , Marcel Hildebrandt , Mitchell Joblin , Hang Li , Volker Tresp

Accurate modelling and quantification of predictive uncertainty is crucial in deep learning since it allows a model to make safer decisions when the data is ambiguous and facilitates the users' understanding of the model's confidence in its…

Machine Learning · Statistics 2025-08-26 Soumyasundar Pal , Liheng Ma , Amine Natik , Yingxue Zhang , Mark Coates

As Graph Neural Networks (GNNs) become more pervasive, it becomes paramount to build reliable tools for explaining their predictions. A core desideratum is that explanations are \textit{faithful}, \ie that they portray an accurate picture…

Machine Learning · Computer Science 2025-04-11 Steve Azzolin , Antonio Longa , Stefano Teso , Andrea Passerini

Graph neural networks (GNNs) have demonstrated great success in representation learning for graph-structured data. The layer-wise graph convolution in GNNs is shown to be powerful at capturing graph topology. During this process, GNNs are…

Machine Learning · Computer Science 2021-12-10 Mingxuan Ju , Shifu Hou , Yujie Fan , Jianan Zhao , Liang Zhao , Yanfang Ye

Rigorous uncertainty quantification is essential for the safe deployment of autonomous systems in unconstrained environments. Conformal Prediction (CP) provides a distribution-free framework for this task, yet its standard formulations rely…

Machine Learning · Computer Science 2026-05-14 Renukanandan Tumu , Aditya Singh , Rahul Mangharam

Graphs play a crucial role in data mining and machine learning, representing real-world objects and interactions. As graph datasets grow, managing large, decentralized subgraphs becomes essential, particularly within federated learning…

Machine Learning · Computer Science 2024-10-21 Ömer Faruk Akgül , Rajgopal Kannan , Viktor Prasanna

We consider a setting where multiple entities inter-act with each other over time and the time-varying statuses of the entities are represented as multiple correlated time series. For example, speed sensors are deployed in different…

Machine Learning · Computer Science 2021-03-23 Razvan-Gabriel Cirstea , Chenjuan Guo , Bin Yang

Graph Neural Networks (GNNs) have been extensively used in various real-world applications. However, the predictive uncertainty of GNNs stemming from diverse sources such as inherent randomness in data and model training errors can lead to…

Machine Learning · Computer Science 2025-03-11 Fangxin Wang , Yuqing Liu , Kay Liu , Yibo Wang , Sourav Medya , Philip S. Yu

Temporal link prediction in dynamic graphs is a critical task with applications in diverse domains such as social networks, recommendation systems, and e-commerce platforms. While existing Temporal Graph Neural Networks (T-GNNs) have…

Artificial Intelligence · Computer Science 2025-07-21 Haoyang Li , Yuming Xu , Yiming Li , Hanmo Liu , Darian Li , Chen Jason Zhang , Lei Chen , Qing Li

Graph Neural Networks (GNNs) have become the leading paradigm for learning on (static) graph-structured data. However, many real-world systems are dynamic in nature, since the graph and node/edge attributes change over time. In recent…

Graph Neural Networks (GNNs) have shown remarkable performance on graph-structured data. However, recent empirical studies suggest that GNNs are very susceptible to distribution shift. There is still significant ambiguity about why…

Machine Learning · Computer Science 2023-06-07 Qi Zhu , Yizhu Jiao , Natalia Ponomareva , Jiawei Han , Bryan Perozzi

Graph Neural Networks (GNNs) excel in graph-based learning tasks, but their complex, non-linear operations often render them as opaque "black boxes". This opacity hinders user trust, complicates debugging, bias detection, and adoption in…

Artificial Intelligence · Computer Science 2025-11-18 TC Singh , Sougata Mukherjea

Graph-based data present unique challenges and opportunities for machine learning. Graph Neural Networks (GNNs), and especially those algorithms that capture graph topology through message passing for neighborhood aggregation, have been a…

Machine Learning · Computer Science 2024-04-19 Zheyi Qin , Randy Paffenroth , Anura P. Jayasumana

Graph Convolutional Neural Networks (Graph CNNs) are generalizations of classical CNNs to handle graph data such as molecular data, point could and social networks. Current filters in graph CNNs are built for fixed and shared graph…

Machine Learning · Computer Science 2018-01-11 Ruoyu Li , Sheng Wang , Feiyun Zhu , Junzhou Huang

The consensus that GCN, GraphSAGE, GAT, and EvolveGCN outperform feature-only baselines on the Elliptic Bitcoin Dataset is widely cited but has not been rigorously stress-tested under a leakage-free evaluation protocol. We perform a…

Machine Learning · Computer Science 2026-04-22 Saket Maganti

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, like nodes or edges, that the target GNN…

Machine Learning · Computer Science 2022-12-20 Tianxiang Zhao , Dongsheng Luo , Xiang Zhang , Suhang Wang

Session-based recommendations which predict the next action by understanding a user's interaction behavior with items within a relatively short ongoing session have recently gained increasing popularity. Previous research has focused on…

Information Retrieval · Computer Science 2023-10-23 Eunkyu Oh , Taehun Kim

The analysis of data such as graphs has been gaining increasing attention in the past years. This is justified by the numerous applications in which they appear. Several methods are present to predict graphs, but much fewer to quantify the…

Methodology · Statistics 2024-04-30 Anna Calissano , Matteo Fontana , Gianluca Zeni , Simone Vantini
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