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Graph Neural Networks (GNNs) have proven to be successful in many classification tasks, outperforming previous state-of-the-art methods in terms of accuracy. However, accuracy alone is not enough for high-stakes decision making. Decision…

Machine Learning · Computer Science 2019-06-04 Leonardo Teixeira , Brian Jalaian , Bruno 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

Despite Graph Neural Networks (GNNs) have achieved remarkable accuracy, whether the results are trustworthy is still unexplored. Previous studies suggest that many modern neural networks are over-confident on the predictions, however,…

Machine Learning · Computer Science 2022-01-05 Xiao Wang , Hongrui Liu , Chuan Shi , Cheng Yang

Graph Neural Networks (GNNs) are able to achieve high classification accuracy on many important real world datasets, but provide no rigorous notion of predictive uncertainty. Quantifying the confidence of GNN models is difficult due to the…

Machine Learning · Statistics 2024-01-10 Jase Clarkson

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by additionally making use of graph structure based on the relational inductive bias (edge bias), rather than treating the nodes as collections of independent and identically…

Machine Learning · Computer Science 2023-11-07 Sitao Luan , Chenqing Hua , Qincheng Lu , Jiaqi Zhu , Xiao-Wen Chang , Doina Precup

Graph Neural Networks (GNNs) have demonstrated remarkable effectiveness on graph-based tasks. However, their predictive confidence is often miscalibrated, typically exhibiting under-confidence, which harms the reliability of their…

Machine Learning · Computer Science 2025-09-30 Jincheng Huang , Jie Xu , Xiaoshuang Shi , Ping Hu , Lei Feng , Xiaofeng Zhu

Deep neural networks are notoriously miscalibrated, i.e., their outputs do not reflect the true probability of the event we aim to predict. While networks for tabular or image data are usually overconfident, recent works have shown that…

Machine Learning · Computer Science 2024-03-11 Erik Nascimento , Diego Mesquita , Samuel Kaski , Amauri H Souza

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

Neural networks solving real-world problems are often required not only to make accurate predictions but also to provide a confidence level in the forecast. The calibration of a model indicates how close the estimated confidence is to the…

Neural and Evolutionary Computing · Computer Science 2023-03-21 Ruslan Vasilev , Alexander D'yakonov

With the wide-spread availability of complex relational data, semi-supervised node classification in graphs has become a central machine learning problem. Graph neural networks are a recent class of easy-to-train and accurate methods for…

Machine Learning · Computer Science 2021-06-08 Junteng Jia , Cenk Baykal , Vamsi K. Potluru , Austin R. Benson

Embedding graph nodes into a vector space can allow the use of machine learning to e.g. predict node classes, but the study of node embedding algorithms is immature compared to the natural language processing field because of a diverse…

Machine Learning · Computer Science 2018-02-20 Kento Nozawa , Masanari Kimura , Atsunori Kanemura

Graph Convolutional Networks (GCN) have been effective at tasks that have rich relational structure and can preserve global structure information of a dataset in graph embeddings. Recently, many researchers focused on examining whether GCNs…

Computation and Language · Computer Science 2022-03-31 Soyeon Caren Han , Zihan Yuan , Kunze Wang , Siqu Long , Josiah Poon

This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…

Machine Learning · Computer Science 2025-07-08 Eugenio Borzone , Leandro Di Persia , Matias Gerard

This paper addresses the challenging problem of retrieval and matching of graph structured objects, and makes two key contributions. First, we demonstrate how Graph Neural Networks (GNN), which have emerged as an effective model for various…

Machine Learning · Computer Science 2019-05-14 Yujia Li , Chenjie Gu , Thomas Dullien , Oriol Vinyals , Pushmeet Kohli

Graph Neural Networks (GNNs) have been highly successful for the node classification task. GNNs typically assume graphs are homophilic, i.e. neighboring nodes are likely to belong to the same class. However, a number of real-world graphs…

Machine Learning · Computer Science 2024-09-20 Yurui Lai , Taiyan Zhang , Rui Fan

Confidence calibration -- the problem of predicting probability estimates representative of the true correctness likelihood -- is important for classification models in many applications. We discover that modern neural networks, unlike…

Machine Learning · Computer Science 2017-08-04 Chuan Guo , Geoff Pleiss , Yu Sun , Kilian Q. Weinberger

Given the importance of getting calibrated predictions and reliable uncertainty estimations, various post-hoc calibration methods have been developed for neural networks on standard multi-class classification tasks. However, these methods…

Machine Learning · Computer Science 2022-10-13 Hans Hao-Hsun Hsu , Yuesong Shen , Christian Tomani , Daniel Cremers

Graph, as an important data representation, is ubiquitous in many real world applications ranging from social network analysis to biology. How to correctly and effectively learn and extract information from graph is essential for a large…

Machine Learning · Computer Science 2020-10-27 Xiaodong Jiang , Ronghang Zhu , Pengsheng Ji , Sheng Li

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Machine Learning · Computer Science 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

Real-world events exhibit a high degree of interdependence and connections, and hence data points generated also inherit the linkages. However, the majority of AI/ML techniques leave out the linkages among data points. The recent surge of…

Social and Information Networks · Computer Science 2020-06-17 Shrey Dabhi , Manojkumar Parmar
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