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While graph neural networks (GNNs) have been shown to perform well on graph-based data from a variety of fields, they suffer from a lack of transparency and accountability, which hinders trust and consequently the deployment of such models…

Machine Learning · Computer Science 2021-07-27 Lucie Charlotte Magister , Dmitry Kazhdan , Vikash Singh , Pietro Liò

Link prediction is a widely studied task in Graph Representation Learning (GRL) for modeling relational data. The early theories in GRL were based on the assumption of a symmetric adjacency matrix, reflecting an undirected setting. As a…

Machine Learning · Computer Science 2025-02-24 Jun Zhai , Muberra Ozmen , Thomas Markovich

Graph neural networks (GNNs) are powerful tools for solving graph-related problems. Distributed GNN frameworks and systems enhance the scalability of GNNs and accelerate model training, yet most are optimized for node classification. Their…

Machine Learning · Computer Science 2025-06-27 Xin Huang , Chul-Ho Lee

Link prediction is a fundamental problem in many graph based applications, such as protein-protein interaction prediction. Graph neural network (GNN) has recently been widely used for link prediction. However, existing GNN based link…

Machine Learning · Computer Science 2023-03-02 Kai-Lang Yao , Wu-Jun Li

This paper derives statistical guarantees for the performance of Graph Neural Networks (GNNs) in link prediction tasks on graphs generated by a graphon. We propose a linear GNN architecture (LG-GNN) that produces consistent estimators for…

Machine Learning · Computer Science 2024-02-08 Alan Chung , Amin Saberi , Morgane Austern

In recent years, Graph Neural Networks (GNNs) have become successful in molecular property prediction tasks such as toxicity analysis. However, due to the black-box nature of GNNs, their outputs can be concerning in high-stakes…

Machine Learning · Computer Science 2024-10-22 Yinhan He , Zaiyi Zheng , Patrick Soga , Yaozhen Zhu , yushun Dong , Jundong Li

Link prediction is a crucial task in many downstream applications of graph machine learning. To this end, Graph Neural Network (GNN) is a widely used technique for link prediction, mainly in transductive settings, where the goal is to…

Machine Learning · Computer Science 2025-03-06 Ahmed E. Samy , Zekarias T. Kefato , Sarunas Girdzijauskas

Graph Neural Networks (GNNs) have shown promising results in various tasks, among which link prediction is an important one. GNN models usually follow a node-centric message passing procedure that aggregates the neighborhood information to…

Machine Learning · Computer Science 2022-01-17 Baole Ai , Zhou Qin , Wenting Shen , Yong Li

Graph Neural Networks (GNNs) have become a powerful tool for modeling and analyzing data with graph structures. The wide adoption in numerous applications underscores the value of these models. However, the complexity of these methods often…

Artificial Intelligence · Computer Science 2025-12-10 Tien Cuong Bui

Graph Neural Networks achieve remarkable results on problems with structured data but come as black-box predictors. Transferring existing explanation techniques, such as occlusion, fails as even removing a single node or edge can lead to…

Machine Learning · Computer Science 2020-10-27 Lukas Faber , Amin K. Moghaddam , Roger Wattenhofer

In Graph Neural Networks (GNNs), the graph structure is incorporated into the learning of node representations. This complex structure makes explaining GNNs' predictions become much more challenging. In this paper, we propose PGM-Explainer,…

Machine Learning · Computer Science 2020-10-13 Minh N. Vu , My T. Thai

Link prediction (inferring missing or future connections between nodes in a graph) is a fundamental problem in network science with widespread applications in, e.g., biological systems, recommender systems, finance and cybersecurity. The…

Machine Learning · Computer Science 2026-05-12 Riccardo Porcedda , Francesca Chiaromonte , Fabrizio Lillo , Andrea Vandin

In this paper, we benchmark several existing graph neural network (GNN) models on different datasets for link predictions. In particular, the graph convolutional network (GCN), GraphSAGE, graph attention network (GAT) as well as variational…

Machine Learning · Computer Science 2021-02-26 Xing Wang , Alexander Vinel

Neural networks have demonstrated a wide range of successes, but their ``black box" nature raises concerns about transparency and reliability. Previous research on ReLU networks has sought to unwrap these networks into linear models based…

Machine Learning · Computer Science 2025-06-24 Seongwoo Lim , Won Jo , Joohyung Lee , Jaesik Choi

Temporal Graph Neural Network (TGNN) has been receiving a lot of attention recently due to its capability in modeling time-evolving graph-related tasks. Similar to Graph Neural Networks, it is also non-trivial to interpret predictions made…

Machine Learning · Computer Science 2022-12-05 Minh N. Vu , My T. Thai

Link prediction aims to infer missing links or predicting the future ones based on currently observed partial networks, it is a fundamental problem in network science with tremendous real-world applications. However, conventional link…

Social and Information Networks · Computer Science 2019-10-30 Weiwei Gu , Fei Gao , Xiaodan Lou , Jiang Zhang

To enhance the reliability and credibility of graph neural networks (GNNs) and improve the transparency of their decision logic, a new field of explainability of GNNs (XGNN) has emerged. However, two major limitations severely degrade the…

Machine Learning · Computer Science 2025-05-26 Han Zhang , Yan Wang , Guanfeng Liu , Pengfei Ding , Huaxiong Wang , Kwok-Yan Lam

Motion prediction systems aim to capture the future behavior of traffic scenarios enabling autonomous vehicles to perform safe and efficient planning. The evolution of these scenarios is highly uncertain and depends on the interactions of…

Artificial Intelligence · Computer Science 2022-12-08 Sandra Carrasco Limeros , Sylwia Majchrowska , Joakim Johnander , Christoffer Petersson , David Fernández Llorca

We propose a multi-explanation graph attention network (MEGAN). Unlike existing graph explainability methods, our network can produce node and edge attributional explanations along multiple channels, the number of which is independent of…

Machine Learning · Computer Science 2024-02-20 Jonas Teufel , Luca Torresi , Patrick Reiser , Pascal Friederich

Link prediction is a fundamental task in dynamic graph learning (DGL), inherently shaped by the topology of the DG. Recent advancements in dynamic graph neural networks (DGNN), primarily by modeling the relationships among nodes via a…

Machine Learning · Computer Science 2025-04-29 Ling Wang , Minglian Han