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Human brains lie at the core of complex neurobiological systems, where the neurons, circuits, and subsystems interact in enigmatic ways. Understanding the structural and functional mechanisms of the brain has long been an intriguing pursuit…

Neurons and Cognition · Quantitative Biology 2022-07-26 Hejie Cui , Wei Dai , Yanqiao Zhu , Xiaoxiao Li , Lifang He , Carl Yang

Despite recent progress in Graph Neural Networks (GNNs), explaining predictions made by GNNs remains a challenging open problem. The leading method independently addresses the local explanations (i.e., important subgraph structure and node…

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

Graph neural networks (GNNs) are powerful tools on graph data. However, their predictions are mis-calibrated and lack interpretability, limiting their adoption in critical applications. To address this issue, we propose a new…

Machine Learning · Computer Science 2025-08-26 Lingkai Kong , Haotian Sun , Yuchen Zhuang , Haorui Wang , Wenhao Mu , Chao Zhang

Graph convolutional networks (GCNs) are a widely used method for graph representation learning. To elucidate the capabilities and limitations of GCNs, we investigate their power, as a function of their number of layers, to distinguish…

Machine Learning · Statistics 2020-05-14 Abram Magner , Mayank Baranwal , Alfred O. Hero

Graph Neural Networks (GNNs) have emerged as powerful representation learning tools for capturing complex dependencies within diverse graph-structured data. Despite their success in a wide range of graph mining tasks, GNNs have raised…

Machine Learning · Computer Science 2024-06-19 Wenzhao Jiang , Hao Liu , Hui Xiong

Despite the recent progress in Graph Neural Networks (GNNs), it remains challenging to explain the predictions made by GNNs. Existing explanation methods mainly focus on post-hoc explanations where another explanatory model is employed to…

Machine Learning · Computer Science 2021-12-03 Zaixi Zhang , Qi Liu , Hao Wang , Chengqiang Lu , Cheekong Lee

Graph Neural Networks (GNNs), a generalization of deep neural networks on graph data have been widely used in various domains, ranging from drug discovery to recommender systems. However, GNNs on such applications are limited when there are…

Machine Learning · Computer Science 2021-11-09 Debmalya Mandal , Sourav Medya , Brian Uzzi , Charu Aggarwal

We present GDLNN, a new graph machine learning architecture, for graph classification tasks. GDLNN combines a domain-specific programming language, called GDL, with neural networks. The main strength of GDLNN lies in its GDL layer, which…

Machine Learning · Computer Science 2025-10-02 Minseok Jeon , Seunghyun Park

Dynamic graphs are widely used to represent evolving real-world networks. Temporal Graph Neural Networks (TGNNs) have emerged as a powerful tool for processing such graphs, but the lack of transparency and explainability limits their…

Machine Learning · Computer Science 2025-12-30 Xuyan Li , Jie Wang , Zheng Yan

Recent years have witnessed fast developments of graph neural networks (GNNs) that have benefited myriad graph analytic tasks and applications. Most GNNs rely on the homophily assumption that nodes belonging to the same class are more…

Machine Learning · Computer Science 2026-04-21 Xin Zheng , Yi Wang , Yixin Liu , Ming Li , Miao Zhang , Di Jin , Philip S. Yu , Shirui Pan

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

Deep models trained in supervised mode have achieved remarkable success on a variety of tasks. When labeled samples are limited, self-supervised learning (SSL) is emerging as a new paradigm for making use of large amounts of unlabeled…

Machine Learning · Computer Science 2022-04-26 Yaochen Xie , Zhao Xu , Jingtun Zhang , Zhengyang Wang , Shuiwang Ji

Graph Neural Networks (GNNs) resurge as a trending research subject owing to their impressive ability to capture representations from graph-structured data. However, the black-box nature of GNNs presents a significant challenge in terms of…

Machine Learning · Computer Science 2023-10-26 Tianchun Wang , Dongsheng Luo , Wei Cheng , Haifeng Chen , Xiang Zhang

Graph neural networks (GNNs) have emerged as powerful models for learning representations of graph data showing state of the art results in various tasks. Nevertheless, the superiority of these methods is usually supported by either…

Machine Learning · Computer Science 2024-11-22 Tianqi Zhao , Megha Khosla

Recent progress in research on Deep Graph Networks (DGNs) has led to a maturation of the domain of learning on graphs. Despite the growth of this research field, there are still important challenges that are yet unsolved. Specifically,…

Machine Learning · Computer Science 2024-04-10 Alessio Gravina , Davide Bacciu

With its capability to deal with graph data, which is widely found in practical applications, graph neural networks (GNNs) have attracted significant research attention in recent years. As societies become increasingly concerned with the…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-12-22 Rui Liu , Pengwei Xing , Zichao Deng , Anran Li , Cuntai Guan , Han Yu

Graph neural networks (GNNs) aim to learn well-trained representations in a lower-dimension space for downstream tasks while preserving the topological structures. In recent years, attention mechanism, which is brilliant in the fields of…

Social and Information Networks · Computer Science 2026-05-12 Chengcheng Sun , Chenhao Li , Xiang Lin , Tianji Zheng , Fanrong Meng , Xiaobin Rui , Zhixiao Wang

With the rapid deployment of graph neural networks (GNNs) based techniques into a wide range of applications such as link prediction, node classification, and graph classification the explainability of GNNs has become an indispensable…

Machine Learning · Computer Science 2023-01-03 Yiqiao Li , Jianlong Zhou , Boyuan Zheng , Fang Chen

Nowadays, deep prediction models, especially graph neural networks, have a majorplace in critical applications. In such context, those models need to be highlyinterpretable or being explainable by humans, and at the societal scope, this…

Artificial Intelligence · Computer Science 2023-03-13 Adrien Raison , Pascal Bourdon , David Helbert

Experimental reproducibility and replicability are critical topics in machine learning. Authors have often raised concerns about their lack in scientific publications to improve the quality of the field. Recently, the graph representation…

Machine Learning · Computer Science 2022-02-21 Federico Errica , Marco Podda , Davide Bacciu , Alessio Micheli
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