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Link prediction (LP) is an important problem in network science and machine learning research. The state-of-the-art LP methods are usually evaluated in a uniform setup, ignoring several factors associated with the data and application…

Social and Information Networks · Computer Science 2025-07-21 Bhargavi Kalyani , A Rama Prasad Mathi , Niladri Sett

Graph classification is a challenging problem owing to the difficulty in quantifying the similarity between graphs or representing graphs as vectors, though there have been a few methods using graph kernels or graph neural networks (GNNs).…

Machine Learning · Computer Science 2024-08-22 Zixiao Wang , Jicong Fan

Developing link prediction models to automatically complete knowledge graphs has recently been the focus of significant research interest. The current methods for the link prediction taskhavetwonaturalproblems:1)the relation distributions…

Artificial Intelligence · Computer Science 2021-04-20 Yao Zhang , Xu Zhang , Jun Wang , Hongru Liang , Wenqiang Lei , Zhe Sun , Adam Jatowt , Zhenglu Yang

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 2023-09-06 Tianxiang Zhao , Dongsheng Luo , Xiang Zhang , Suhang Wang

A significant portion of the data today, e.g, social networks, web connections, etc., can be modeled by graphs. A proper analysis of graphs with Machine Learning (ML) algorithms has the potential to yield far-reaching insights into many…

Social and Information Networks · Computer Science 2020-09-11 Taha Atahan Akyildiz , Amro Alabsi Aljundi , Kamer Kaya

Graph Neural Networks (GNNs) are a predominant method for graph representation learning. However, beyond subgraph frequency estimation, their application to network motif significance-profile (SP) prediction remains under-explored, with no…

Machine Learning · Computer Science 2025-07-11 Pedro C. Vieira , Miguel E. P. Silva , Pedro Manuel Pinto Ribeiro

The link prediction task on knowledge graphs without explicit negative triples in the training data motivates the usage of rank-based metrics. Here, we review existing rank-based metrics and propose desiderata for improved metrics to…

Machine Learning · Computer Science 2022-04-20 Charles Tapley Hoyt , Max Berrendorf , Mikhail Galkin , Volker Tresp , Benjamin M. Gyori

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

Graph neural networks (GNNs) have been extensively developed for graph representation learning in various application domains. However, similar to all other neural networks models, GNNs suffer from the black-box problem as people cannot…

Machine Learning · Computer Science 2022-03-18 Peibo Li , Yixing Yang , Maurice Pagnucco , Yang Song

The message-passing mechanism underlying Graph Neural Networks (GNNs) is not naturally suited for heterophilic datasets, where adjacent nodes often have different labels. Most solutions to this problem remain confined to the task of node…

Machine Learning · Computer Science 2025-06-30 Andrea Giuseppe Di Francesco , Francesco Caso , Maria Sofia Bucarelli , Fabrizio Silvestri

Interpretable graph neural networks (XGNNs ) are widely adopted in various scientific applications involving graph-structured data. Existing XGNNs predominantly adopt the attention-based mechanism to learn edge or node importance for…

Machine Learning · Computer Science 2024-06-13 Yongqiang Chen , Yatao Bian , Bo Han , James Cheng

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

Recent advances in employing neural networks on graph domains helped push the state of the art in link prediction tasks, particularly in recommendation services. However, the use of temporal contextual information, often modeled as dynamic…

Information Retrieval · Computer Science 2018-11-20 Samuel G. Fadel , Ricardo da S. Torres

Graph neural networks (GNNs) can learn effective node representations that significantly improve link prediction accuracy. However, most GNN-based link prediction algorithms are incompetent to predict weak ties connecting different…

Social and Information Networks · Computer Science 2024-10-22 Weiwei Gu , Linbi Lv , Gang Lu , Ruiqi Li

Graphs are a powerful data structure to represent relational data and are widely used to describe complex real-world data structures. Probabilistic Graphical Models (PGMs) have been well-developed in the past years to mathematically model…

Artificial Intelligence · Computer Science 2023-01-31 Chenqing Hua , Sitao Luan , Qian Zhang , Jie Fu

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Knowledge graph (KG) reasoning is a task that aims to predict unknown facts based on known factual samples. Reasoning methods can be divided into two categories: rule-based methods and KG-embedding based methods. The former possesses…

Artificial Intelligence · Computer Science 2024-07-08 Fengsong Sun , Jinyu Wang , Zhiqing Wei , Xianchao Zhang

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

The interdependence between nodes in graphs is key to improve class predictions on nodes and utilized in approaches like Label Propagation (LP) or in Graph Neural Networks (GNN). Nonetheless, uncertainty estimation for non-independent…

Machine Learning · Statistics 2021-10-28 Maximilian Stadler , Bertrand Charpentier , Simon Geisler , Daniel Zügner , Stephan Günnemann

In image generation, generative models can be evaluated naturally by visually inspecting model outputs. However, this is not always the case for graph generative models (GGMs), making their evaluation challenging. Currently, the standard…

Machine Learning · Computer Science 2022-04-29 Rylee Thompson , Boris Knyazev , Elahe Ghalebi , Jungtaek Kim , Graham W. Taylor
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