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Recently, graph neural networks (GNNs) have shown prominent performance in graph representation learning by leveraging knowledge from both graph structure and node features. However, most of them have two major limitations. First, GNNs can…

Machine Learning · Computer Science 2022-06-20 Wentao Zhang , Zeang Sheng , Mingyu Yang , Yang Li , Yu Shen , Zhi Yang , Bin Cui

Driven by the outstanding performance of neural networks in the structured Euclidean domain, recent years have seen a surge of interest in developing neural networks for graphs and data supported on graphs. The graph is leveraged at each…

Machine Learning · Computer Science 2021-07-28 Elvin Isufi , Fernando Gama , Alejandro Ribeiro

Real data collected from different applications that have additional topological structures and connection information are amenable to be represented as a weighted graph. Considering the node labeling problem, Graph Neural Networks (GNNs)…

Social and Information Networks · Computer Science 2020-02-06 Xiaoxiao Li , Joao Saude

We propose AGS-GNN, a novel attribute-guided sampling algorithm for Graph Neural Networks (GNNs) that exploits node features and connectivity structure of a graph while simultaneously adapting for both homophily and heterophily in graphs.…

Machine Learning · Computer Science 2024-05-27 Siddhartha Shankar Das , S M Ferdous , Mahantesh M Halappanavar , Edoardo Serra , Alex Pothen

Buoyancy-driven heat transfer in closed cavities serves as a canonical testbed for thermal design High-fidelity CFD modelling yields accurate thermal field solutions, yet its reliance on expert-crafted physics models, fine meshes, and…

Computer Vision and Pattern Recognition · Computer Science 2025-09-09 Mohammad Ahangarkiasari , Hassan Pouraria

Graph Neural Networks (GNNs) have proved to be an effective representation learning framework for graph-structured data, and have achieved state-of-the-art performance on many practical predictive tasks, such as node classification, link…

Machine Learning · Computer Science 2021-04-13 Yang Ye , Shihao Ji

Recent advancements in graph neural networks (GNNs) have highlighted the critical need of calibrating model predictions, with neighborhood prediction similarity recognized as a pivotal component. Existing studies suggest that nodes with…

Machine Learning · Computer Science 2025-02-25 Hyunjin Seo , Kyusung Seo , Joonhyung Park , Eunho Yang

Timely detected anomalies in the chemical technological processes, as well as the earliest detection of the cause of the fault, significantly reduce the production cost in the industrial factories. Data on the state of the technological…

Artificial Intelligence · Computer Science 2022-10-21 Alexander Kovalenko , Vitaliy Pozdnyakov , Ilya Makarov

Graph neural networks (GNNs) have been increasingly deployed in various applications that involve learning on non-Euclidean data. However, recent studies show that GNNs are vulnerable to graph adversarial attacks. Although there are several…

Machine Learning · Computer Science 2023-01-10 Chenhui Deng , Xiuyu Li , Zhuo Feng , Zhiru Zhang

Scalability of Graph Neural Networks (GNNs) remains a significant challenge. To tackle this, methods like coarsening, condensation, and computation trees are used to train on a smaller graph, resulting in faster computation. Nonetheless,…

Machine Learning · Computer Science 2026-04-13 Shubhajit Roy , Hrriday Ruparel , Kishan Ved , Anirban Dasgupta

This work introduces a novel graph neural networks (GNNs)-based method to predict stream water temperature and reduce model bias across locations of different income and education levels. Traditional physics-based models often have limited…

Machine Learning · Computer Science 2024-12-24 Erhu He , Declan Kutscher , Yiqun Xie , Jacob Zwart , Zhe Jiang , Huaxiu Yao , Xiaowei Jia

Graph Neural Networks (GNNs) have emerged as powerful tools for predicting outcomes in graph-structured data. However, a notable limitation of GNNs is their inability to provide robust uncertainty estimates, which undermines their…

Machine Learning · Computer Science 2024-10-10 S. Akansha

Graph Neural Networks (GNNs) are characterized by their capacity of processing graph-structured data. However, due to the sparsity of labels under semi-supervised learning, they have been found to exhibit biased performance on specific…

Machine Learning · Computer Science 2025-12-16 Yihan Zhang

Graph Neural Networks (GNNs) have emerged as potent tools for predicting outcomes in graph-structured data. Despite their efficacy, a significant drawback of GNNs lies in their limited ability to provide robust uncertainty estimates, posing…

Machine Learning · Computer Science 2025-03-26 S. Akansha

Graph Transformers (GTs) have emerged as powerful architectures for graph-structured data, yet remain constrained by rigid designs and lack quantifiable interpretability. Current state-of-the-art GTs commit to fixed GNN types across all…

Machine Learning · Computer Science 2025-11-03 Shruti Sarika Chakraborty , Peter Minary

Existing Graph Neural Networks (GNNs) compute the message exchange between nodes by either aggregating uniformly (convolving) the features of all the neighboring nodes, or by applying a non-uniform score (attending) to the features. Recent…

Machine Learning · Computer Science 2023-03-02 Adrián Javaloy , Pablo Sanchez-Martin , Amit Levi , Isabel Valera

Precise confidence estimation in deep learning is vital for high-stakes fields like medical imaging, where overconfident misclassifications can have serious consequences. This work evaluates the effectiveness of Temperature Scaling (TS), a…

Computer Vision and Pattern Recognition · Computer Science 2025-09-30 Ankur Chanda , Kushan Choudhury , Shubhrodeep Roy , Shubhajit Biswas , Somenath Kuiry

Recent works reveal that feature or label smoothing lies at the core of Graph Neural Networks (GNNs). Concretely, they show feature smoothing combined with simple linear regression achieves comparable performance with the carefully designed…

Machine Learning · Computer Science 2021-10-28 Wentao Zhang , Mingyu Yang , Zeang Sheng , Yang Li , Wen Ouyang , Yangyu Tao , Zhi Yang , Bin Cui

Graph neural networks (GNNs) have been shown to possess strong representation power, which can be exploited for downstream prediction tasks on graph-structured data, such as molecules and social networks. They typically learn…

Machine Learning · Computer Science 2022-08-23 Mehmet F. Demirel , Shengchao Liu , Siddhant Garg , Zhenmei Shi , Yingyu Liang

Graph Neural Networks (GNNs) have become the state-of-the-art method for many applications on graph structured data. GNNs are a model for graph representation learning, which aims at learning to generate low dimensional node embeddings that…

Machine Learning · Computer Science 2022-05-23 Davide Buffelli , Fabio Vandin