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Recently, motivated by real applications, a major research direction in graph neural networks (GNNs) is to explore deeper structures. For instance, the graph connectivity is not always consistent with the label distribution (e.g., the…

Machine Learning · Computer Science 2022-10-26 Lecheng Zheng , Dongqi Fu , Ross Maciejewski , Jingrui He

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

Graph-structured data consisting of objects (i.e., nodes) and relationships among objects (i.e., edges) are ubiquitous. Graph-level learning is a matter of studying a collection of graphs instead of a single graph. Traditional graph-level…

Machine Learning · Computer Science 2022-06-01 Ge Zhang , Jia Wu , Jian Yang , Shan Xue , Wenbin Hu , Chuan Zhou , Hao Peng , Quan Z. Sheng , Charu Aggarwal

Efforts to decode deep neural networks (DNNs) often involve mapping their predictions back to the input features. Among these methods, Integrated Gradients (IG) has emerged as a significant technique. The selection of appropriate baselines…

Machine Learning · Computer Science 2024-05-21 Shuyang Liu , Zixuan Chen , Ge Shi , Ji Wang , Changjie Fan , Yu Xiong , Runze Wu Yujing Hu , Ze Ji , Yang Gao

Deep graph learning has gained grand popularity over the past years due to its versatility and success in representing graph data across a wide range of domains. However, the pervasive issue of imbalanced graph data distributions, where…

Machine Learning · Computer Science 2025-03-04 Jiawen Qin , Haonan Yuan , Qingyun Sun , Lyujin Xu , Jiaqi Yuan , Pengfeng Huang , Zhaonan Wang , Xingcheng Fu , Hao Peng , Jianxin Li , Philip S. Yu

Attribution algorithms are frequently employed to explain the decisions of neural network models. Integrated Gradients (IG) is an influential attribution method due to its strong axiomatic foundation. The algorithm is based on integrating…

Machine Learning · Computer Science 2023-12-19 Chase Walker , Sumit Jha , Kenny Chen , Rickard Ewetz

Graph Neural Networks (GNNs) are an emerging research field. This specialized Deep Neural Network (DNN) architecture is capable of processing graph structured data and bridges the gap between graph processing and Deep Learning (DL). As…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-24 Jana Vatter , Ruben Mayer , Hans-Arno Jacobsen

Integrated Gradients (IG) is a widely used algorithm for attributing the outputs of a deep neural network to its input features. Due to the absence of closed-form integrals for deep learning models, inaccurate Riemann Sum approximations are…

Machine Learning · Computer Science 2025-01-07 Swadesh Swain , Shree Singhi

Graph Neural Networks (GNNs) have achieved unprecedented success in identifying categorical labels of graphs. However, most existing graph classification problems with GNNs follow the protocol of balanced data splitting, which misaligns…

Machine Learning · Computer Science 2022-09-29 Yu Wang , Yuying Zhao , Neil Shah , Tyler Derr

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

Graph is an important data representation which appears in a wide diversity of real-world scenarios. Effective graph analytics provides users a deeper understanding of what is behind the data, and thus can benefit a lot of useful…

Artificial Intelligence · Computer Science 2018-02-05 Hongyun Cai , Vincent W. Zheng , Kevin Chen-Chuan Chang

Following a fast initial breakthrough in graph based learning, Graph Neural Networks (GNNs) have reached a widespread application in many science and engineering fields, prompting the need for methods to understand their decision process.…

Machine Learning · Computer Science 2026-05-04 Antonio Longa , Steve Azzolin , Gabriele Santin , Giulia Cencetti , Pietro Liò , Bruno Lepri , Andrea Passerini

Most Graph Neural Networks (GNNs) cannot distinguish some graphs or indeed some pairs of nodes within a graph. This makes it impossible to solve certain classification tasks. However, adding additional node features to these models can…

Machine Learning · Computer Science 2022-09-20 Beni Egressy , Roger Wattenhofer

The explainability of deep networks is becoming a central issue in the deep learning community. It is the same for learning on graphs, a data structure present in many real world problems. In this paper, we propose a method that is more…

Machine Learning · Computer Science 2022-07-27 Adrien Raison , Pascal Bourdon , David Helbert

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 classification is an important area in both modern research and industry. Multiple applications, especially in chemistry and novel drug discovery, encourage rapid development of machine learning models in this area. To keep up with…

Machine Learning · Computer Science 2022-11-08 Jakub Adamczyk

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

Graph neural networks (GNNs) which apply the deep neural networks to graph data have achieved significant performance for the task of semi-supervised node classification. However, only few work has addressed the adversarial robustness of…

Machine Learning · Computer Science 2019-10-16 Kaidi Xu , Hongge Chen , Sijia Liu , Pin-Yu Chen , Tsui-Wei Weng , Mingyi Hong , Xue Lin

Transformers have revolutionized performance in Natural Language Processing and Vision, paving the way for their integration with Graph Neural Networks (GNNs). One key challenge in enhancing graph transformers is strengthening the…

Machine Learning · Computer Science 2026-01-09 Yun Young Choi , Sun Woo Park , Minho Lee , Youngho Woo

The task of data integration for multi-omics data has emerged as a powerful strategy to unravel the complex biological underpinnings of cancer. Recent advancements in graph neural networks (GNNs) offer an effective framework to model…

Machine Learning · Computer Science 2025-06-24 Payam Zohari , Mostafa Haghir Chehreghani
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