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Graph neural networks (GNNs) are the predominant approach for graph-based machine learning. While neural networks have shown great performance at learning useful representations, they are often criticized for their limited high-level…

Machine Learning · Computer Science 2024-07-09 Markus Zopf , Francesco Alesiani

We focus our attention on the link prediction problem for knowledge graphs, which is treated herein as a binary classification task on neural embeddings of the entities. By comparing, combining and extending different methodologies for link…

Artificial Intelligence · Computer Science 2018-07-30 Asan Agibetov , Matthias Samwald

The growing adoption of Graph Neural Networks (GNNs) in high-stakes domains like healthcare and finance demands reliable explanations of their decision-making processes. While inherently interpretable GNN architectures like Graph…

Machine Learning · Computer Science 2025-05-27 Rishabh Bhattacharya , Hari Shankar , Vaishnavi Shivkumar , Ponnurangam Kumaraguru

Graph Neural Networks (GNNs) are neural models that leverage the dependency structure in graphical data via message passing among the graph nodes. GNNs have emerged as pivotal architectures in analyzing graph-structured data, and their…

Machine Learning · Computer Science 2024-03-19 Xu Zheng , Farhad Shirani , Tianchun Wang , Wei Cheng , Zhuomin Chen , Haifeng Chen , Hua Wei , Dongsheng Luo

Graph Neural Networks (GNNs) are able to achieve high classification accuracy on many important real world datasets, but provide no rigorous notion of predictive uncertainty. Quantifying the confidence of GNN models is difficult due to the…

Machine Learning · Statistics 2024-01-10 Jase Clarkson

Graph Neural Networks (GNNs) have become a standard approach for learning from graph-structured data. However, their reliance on parametric classifiers (most often linear softmax layers) limits interpretability and sometimes hinders…

Machine Learning · Computer Science 2026-02-03 Zeljko Bolevic , Milos Brajovic , Isidora Stankovic , Ljubisa Stankovic

Explaining the foundations for predictions obtained from graph neural networks (GNNs) is critical for credible use of GNN models for real-world problems. Owing to the rapid growth of GNN applications, recent progress in explaining…

Machine Learning · Computer Science 2025-01-07 Hyeoncheol Cho , Youngrock Oh , Eunjoo Jeon

Graph Neural Networks (GNNs) have emerged as powerful tools for learning over structured data, including text-attributed graphs (TAGs), which are common in domains such as citation networks, social platforms, and knowledge graphs. GNNs are…

Machine Learning · Computer Science 2026-04-23 Peyman Baghershahi , Gregoire Fournier , Pranav Nyati , Sourav Medya

Networks are ubiquitous in the real world. Link prediction, as one of the key problems for network-structured data, aims to predict whether there exists a link between two nodes. The traditional approaches are based on the explicit…

Machine Learning · Computer Science 2021-06-01 Wei Wu , Bin Li , Chuan Luo , Wolfgang Nejdl

The success of deep learning has revolutionized many fields of research including areas of computer vision, text and speech processing. Enormous research efforts have led to numerous methods that are capable of efficiently analyzing data,…

Machine Learning · Computer Science 2020-07-20 Christoph Heindl

Although data that can be naturally represented as graphs is widespread in real-world applications across diverse industries, popular graph ML benchmarks for node property prediction only cover a surprisingly narrow set of data domains, and…

Machine Learning · Computer Science 2026-05-05 Gleb Bazhenov , Oleg Platonov , Liudmila Prokhorenkova

Link prediction is one of the central problems in graph mining. However, recent studies highlight the importance of higher-order network analysis, where complex structures called motifs are the first-class citizens. We first show that…

The exploration of Graph Neural Networks (GNNs) for processing graph-structured data has expanded, particularly their potential for causal analysis due to their universal approximation capabilities. Anticipated to significantly enhance…

Machine Learning · Computer Science 2024-01-30 Simi Job , Xiaohui Tao , Taotao Cai , Lin Li , Haoran Xie , Jianming Yong

Link prediction is a popular research area with important applications in a variety of disciplines, including biology, social science, security, and medicine. The fundamental requirement of link prediction is the accurate and effective…

Information Retrieval · Computer Science 2015-05-18 Yang Yang , Ryan N. Lichtenwalter , Nitesh V. Chawla

Advances in machine learning have led to graph neural network-based methods for drug discovery, yielding promising results in molecular design, chemical synthesis planning, and molecular property prediction. However, current graph neural…

Quantitative Methods · Quantitative Biology 2021-07-13 Jiahua Rao , Shuangjia Zheng , Yuedong Yang

Graph neural networks (GNNs) have emerged as a powerful model to capture critical graph patterns. Instead of treating them as black boxes in an end-to-end fashion, attempts are arising to explain the model behavior. Existing works mainly…

Machine Learning · Computer Science 2024-02-22 Yi Nian , Yurui Chang , Wei Jin , Lu Lin

Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs,…

Machine Learning · Computer Science 2024-02-08 Xu Zheng , Farhad Shirani , Tianchun Wang , Shouwei Gao , Wenqian Dong , Wei Cheng , Dongsheng Luo

Graph Neural Networks (GNNs) have emerged as an efficient alternative to convolutional approaches for vision tasks such as image classification, leveraging patch-based representations instead of raw pixels. These methods construct graphs…

Computer Vision and Pattern Recognition · Computer Science 2025-04-29 Nikolaos Chaidos , Angeliki Dimitriou , Nikolaos Spanos , Athanasios Voulodimos , Giorgos Stamou

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

Over the past years, embedding learning on networks has shown tremendous results in link prediction tasks for complex systems, with a wide range of real-life applications. Learning a representation for each node in a knowledge graph allows…

Machine Learning · Computer Science 2026-02-03 Orell Trautmann , Olaf Wolkenhauer , Clémence Réda