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While Graph Neural Networks (GNNs) are powerful models for learning representations on graphs, most state-of-the-art models do not have significant accuracy gain beyond two to three layers. Deep GNNs fundamentally need to address: 1).…

Explanations on relational data are hard to verify since the explanation structures are more complex (e.g. graphs). To verify interpretable explanations (e.g. explanations of predictions made in images, text, etc.), typically human subjects…

Artificial Intelligence · Computer Science 2024-01-08 Abisha Thapa Magar , Anup Shakya , Somdeb Sarkhel , Deepak Venugopal

Graph Neural Networks (GNNs) have made rapid developments in the recent years. Due to their great ability in modeling graph-structured data, GNNs are vastly used in various applications, including high-stakes scenarios such as financial…

Machine Learning · Computer Science 2024-11-26 Enyan Dai , Tianxiang Zhao , Huaisheng Zhu , Junjie Xu , Zhimeng Guo , Hui Liu , Jiliang Tang , Suhang Wang

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Machine Learning · Statistics 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

Finding the biomarkers associated with ASD is helpful for understanding the underlying roots of the disorder and can lead to earlier diagnosis and more targeted treatment. A promising approach to identify biomarkers is using Graph Neural…

Machine Learning · Computer Science 2019-07-15 Xiaoxiao Li , Nicha C. Dvornek , Yuan Zhou , Juntang Zhuang , Pamela Ventola , James S. Duncan

Graph Neural Networks (GNNs) have shown satisfying performance in various graph analytical problems. Hence, they have become the \emph{de facto} solution in a variety of decision-making scenarios. However, GNNs could yield biased results…

Machine Learning · Computer Science 2022-06-27 Yushun Dong , Song Wang , Yu Wang , Tyler Derr , Jundong Li

Graph Neural Networks (GNNs) have become increasingly ubiquitous in numerous applications and systems, necessitating explanations of their predictions, especially when making critical decisions. However, explaining GNNs is challenging due…

Machine Learning · Computer Science 2022-10-21 Tien-Cuong Bui , Van-Duc Le , Wen-syan Li , Sang Kyun Cha

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 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

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

Graph Neural Networks (GNNs), originally proposed for node classification, have also motivated many recent works on edge prediction (a.k.a., link prediction). However, existing methods lack elaborate design regarding the distinctions…

Machine Learning · Computer Science 2024-01-24 Jiarui Jin , Yangkun Wang , Weinan Zhang , Quan Gan , Xiang Song , Yong Yu , Zheng Zhang , David Wipf

Counterfactual explanations have emerged as a powerful tool to unveil the opaque decision-making processes of graph neural networks (GNNs). However, existing techniques primarily focus on edge modifications, often overlooking the crucial…

Machine Learning · Computer Science 2025-02-17 Flavio Giorgi , Fabrizio Silvestri , Gabriele Tolomei

Graph Neural Networks (GNNs) perform well in community detection and molecule classification. Counterfactual Explanations (CE) provide counter-examples to overcome the transparency limitations of black-box models. Due to the growing…

Machine Learning · Computer Science 2024-06-12 Mario Alfonso Prado-Romero , Bardh Prenkaj , Giovanni Stilo , Fosca Giannotti

Graph neural networks (GNNs) have recently grown in popularity in the field of artificial intelligence (AI) due to their unique ability to ingest relatively unstructured data types as input data. Although some elements of the GNN…

Machine Learning · Computer Science 2021-12-28 Isaac Ronald Ward , Jack Joyner , Casey Lickfold , Yulan Guo , Mohammed Bennamoun

Dementia is a progressive neurodegenerative disorder with multiple etiologies, including Alzheimer's disease, Parkinson's disease, frontotemporal dementia, and vascular dementia. Its clinical and biological heterogeneity makes diagnosis and…

Machine Learning · Computer Science 2025-09-24 Niharika Tewari , Nguyen Linh Dan Le , Mujie Liu , Jing Ren , Ziqi Xu , Tabinda Sarwar , Veeky Baths , Feng Xia

Networks are a powerful tool to model complex systems, and the definition of many Graph Neural Networks (GNN), Deep Learning algorithms that can handle networks, has opened a new way to approach many real-world problems that would be hardly…

Machine Learning · Computer Science 2021-09-28 Marco Grassia , Manlio De Domenico , Giuseppe Mangioni

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

Machine Learning · Computer Science 2025-05-21 Yongyi Yang , Tang Liu , Yangkun Wang , Zengfeng Huang , David Wipf

While machine learning techniques have been successfully applied in several fields, the black-box nature of the models presents challenges for interpreting and explaining the results. We develop a new framework called Adaptive Explainable…

Machine Learning · Statistics 2020-06-03 Jie Chen , Joel Vaughan , Vijayan N. Nair , Agus Sudjianto

Recent studies have shown that Binary Graph Neural Networks (GNNs) are promising for saving computations of GNNs through binarized tensors. Prior work, however, mainly focused on algorithm designs or training techniques, leaving it open to…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-06-06 Jou-An Chen , Hsin-Hsuan Sung , Xipeng Shen , Sutanay Choudhury , Ang Li

Although neural networks can achieve very high predictive performance on various different tasks such as image recognition or natural language processing, they are often considered as opaque "black boxes". The difficulty of interpreting the…

Machine Learning · Statistics 2020-01-22 Enguerrand Horel , Virgile Mison , Tao Xiong , Kay Giesecke , Lidia Mangu