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Graph Neural Networks (GNNs) have shown to be powerful tools for graph analytics. The key idea is to recursively propagate and aggregate information along edges of the given graph. Despite their success, however, the existing GNNs are…

Machine Learning · Computer Science 2020-11-16 Dongsheng Luo , Wei Cheng , Wenchao Yu , Bo Zong , Jingchao Ni , Haifeng Chen , Xiang Zhang

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

The success of graph neural networks (GNNs) provokes the question about explainability: ``Which fraction of the input graph is the most determinant of the prediction?'' Particularly, parametric explainers prevail in existing approaches…

Machine Learning · Computer Science 2023-11-02 Fang Wu , Siyuan Li , Xurui Jin , Yinghui Jiang , Dragomir Radev , Zhangming Niu , Stan Z. Li

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

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

Deep neural networks (DNNs) achieve state-of-the-art performance on many tasks, but this often requires increasingly larger model sizes, which in turn leads to more complex internal representations. Explainability techniques (XAI) have made…

Machine Learning · Computer Science 2026-01-30 Tom Pelletreau-Duris , Ruud van Bakel , Michael Cochez

Explainable artificial intelligence (XAI) is an important area in the AI community, and interpretability is crucial for building robust and trustworthy AI models. While previous work has explored model-level and instance-level explainable…

Machine Learning · Computer Science 2025-12-05 Xudong Wang , Ziheng Sun , Chris Ding , Jicong Fan

As one of the most popular machine learning models today, graph neural networks (GNNs) have attracted intense interest recently, and so does their explainability. Users are increasingly interested in a better understanding of GNN models and…

Machine Learning · Computer Science 2024-05-24 Kenza Amara , Rex Ying , Zitao Zhang , Zhihao Han , Yinan Shan , Ulrik Brandes , Sebastian Schemm , Ce Zhang

Graph Neural Networks (GNNs) are powerful tools for handling graph-type data. Recently, GNNs have been widely applied in various domains, but they also face some issues, such as overfitting, over-smoothing and non-robustness. The existing…

Machine Learning · Computer Science 2024-05-31 Zhiheng Zhou , Sihao Liu , Weichen Zhao

Deep neural networks (DNNs) have demonstrated remarkable performance in many tasks but it often comes at a high computational cost and memory usage. Compression techniques, such as pruning and quantization, are applied to reduce the memory…

Machine Learning · Computer Science 2025-07-09 Kimia Soroush , Mohsen Raji , Behnam Ghavami

Graph Neural Networks (GNNs) are a powerful technique for machine learning on graph-structured data, yet they pose challenges in interpretability. Existing GNN explanation methods usually yield technical outputs, such as subgraphs and…

Machine Learning · Computer Science 2025-04-09 Mateusz Cedro , David Martens

Graph Neural Networks (GNNs) are widely adopted in advanced AI systems due to their capability of representation learning on graph data. Even though GNN explanation is crucial to increase user trust in the systems, it is challenging due to…

Machine Learning · Computer Science 2022-08-08 Tien-Cuong Bui , Wen-syan Li , Sang-Kyun Cha

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating…

Machine Learning · Computer Science 2019-11-15 Rex Ying , Dylan Bourgeois , Jiaxuan You , Marinka Zitnik , Jure Leskovec

Deep learning using multi-layer neural networks (NNs) architecture manifests superb power in modern machine learning systems. The trained Deep Neural Networks (DNNs) are typically large. The question we would like to address is whether it…

Computer Vision and Pattern Recognition · Computer Science 2016-07-05 Wei Pan , Hao Dong , Yike Guo

Graph neural networks (GNNs) have demonstrated a significant boost in prediction performance on graph data. At the same time, the predictions made by these models are often hard to interpret. In that regard, many efforts have been made to…

Machine Learning · Computer Science 2023-05-24 Yiqiao Li , Jianlong Zhou , Sunny Verma , Fang Chen

Graph neural networks (GNNs) are powerful graph-based deep-learning models that have gained significant attention and demonstrated remarkable performance in various domains, including natural language processing, drug discovery, and…

Machine Learning · Computer Science 2023-06-06 Jaykumar Kakkad , Jaspal Jannu , Kartik Sharma , Charu Aggarwal , Sourav Medya

Graph Neural Networks (GNNs) have advanced significantly in handling graph-structured data, but a comprehensive framework for evaluating explainability remains lacking. Existing evaluation frameworks primarily involve post-hoc explanations,…

Machine Learning · Computer Science 2026-05-18 Magdalena Proszewska , N. Siddharth

Graph learning has rapidly evolved into a critical subfield of machine learning and artificial intelligence (AI). Its development began with early graph-theoretic methods, gaining significant momentum with the advent of graph neural…

Machine Learning · Computer Science 2025-11-10 Feng Xia , Ciyuan Peng , Jing Ren , Falih Gozi Febrinanto , Renqiang Luo , Vidya Saikrishna , Shuo Yu , Xiangjie Kong

Graph neural networks have become the de facto model for learning from structured data. However, the decision-making process of GNNs remains opaque to the end user, which undermines their use in safety-critical applications. Several…

Machine Learning · Computer Science 2026-05-12 Michele Fontanesi , Alessio Micheli , Marco Podda , Domenico Tortorella

Graph neural networks (GNNs) have achieved state-of-the-art results in computer vision and medical image classification tasks by capturing structural dependencies across data instances. However, their decision-making remains largely opaque,…

Machine Learning · Computer Science 2025-08-15 Prajit Sengupta , Islem Rekik
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