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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

Graph Neural Networks (GNNs) are proficient in graph representation learning and achieve promising performance on versatile tasks such as node classification and link prediction. Usually, a comprehensive hyperparameter tuning is essential…

Machine Learning · Computer Science 2024-10-10 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Graph data often contain noisy and spurious correlations that mask the true causal relationships, which are essential for enabling graph models to make predictions based on the underlying causal structure of the data. Dependence on spurious…

Machine Learning · Computer Science 2026-02-23 Simi Job , Xiaohui Tao , Taotao Cai , Haoran Xie , Jianming Yong

Link prediction on dynamic graphs is an important task in graph mining. Existing approaches based on dynamic graph neural networks (DGNNs) typically require a significant amount of historical data (interactions over time), which is not…

Machine Learning · Computer Science 2022-11-17 Linhao Luo , Reza Haffari , Shirui Pan

Many real-world systems can be modeled as dynamic graphs, where nodes and edges evolve over time, requiring specialized models to capture their evolving dynamics in risk-sensitive applications effectively. Temporal graph neural networks…

Machine Learning · Computer Science 2025-01-16 Jayadratha Gayen , Himanshu Pal , Naresh Manwani , Charu Sharma

Accurate modelling and quantification of predictive uncertainty is crucial in deep learning since it allows a model to make safer decisions when the data is ambiguous and facilitates the users' understanding of the model's confidence in its…

Machine Learning · Statistics 2025-08-26 Soumyasundar Pal , Liheng Ma , Amine Natik , Yingxue Zhang , Mark Coates

Deep convolutional neural network (CNN) training via iterative optimization has had incredible success in finding optimal parameters. However, modern CNN architectures often contain millions of parameters. Thus, any given model for a single…

Machine Learning · Computer Science 2023-08-21 Stone Yun , Alexander Wong

Conformal prediction (CP) constructs prediction sets with marginal coverage guarantees under the assumption that the calibration and test distributions are identical. However, under distribution shift, existing approaches primarily align…

Machine Learning · Computer Science 2026-05-05 Rui Xu , Xingyuan Chen , Wenxing Huang , Minxuan Huang , Weiyan Chen , Sihong Xie , Hui Xiong

Graph neural network (GNN) link prediction is increasingly deployed in citation, collaboration, and online social networks to recommend academic literature, collaborators, and friends. While prior research has investigated the dyadic…

Machine Learning · Computer Science 2024-06-06 Arjun Subramonian , Levent Sagun , Yizhou Sun

In this paper, we generally formulate the dynamics prediction problem of various network systems (e.g., the prediction of mobility, traffic and topology) as the temporal link prediction task. Different from conventional techniques of…

Social and Information Networks · Computer Science 2019-01-29 Kai Lei , Meng Qin , Bo Bai , Gong Zhang , Min Yang

Graph convolutional networks (GCNs) have recently achieved great empirical success in learning graph-structured data. To address its scalability issue due to the recursive embedding of neighboring features, graph topology sampling has been…

Machine Learning · Computer Science 2023-12-12 Hongkang Li , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

Graph Neural Networks (graph NNs) are a promising deep learning approach for analyzing graph-structured data. However, it is known that they do not improve (or sometimes worsen) their predictive performance as we pile up many layers and add…

Machine Learning · Computer Science 2021-01-07 Kenta Oono , Taiji Suzuki

Graph Machine Learning (GML) has numerous applications, such as node/graph classification and link prediction, in real-world domains. Providing human-understandable explanations for GML models is a challenging yet fundamental task to foster…

Machine Learning · Computer Science 2023-08-04 Claudio Borile , Alan Perotti , André Panisson

Graph-structured data are pervasive in the real-world such as social networks, molecular graphs and transaction networks. Graph neural networks (GNNs) have achieved great success in representation learning on graphs, facilitating various…

Machine Learning · Computer Science 2025-02-27 Zhimeng Guo , Teng Xiao , Zongyu Wu , Charu Aggarwal , Hui Liu , Suhang Wang

Graph Neural Networks (GNNs) are neural models that leverage the dependency structure in graphical data via message passing among the graph nodes. GNNs have emerged as pivotal architectures in analyzing graph-structured data, and their…

Machine Learning · Computer Science 2024-03-19 Xu Zheng , Farhad Shirani , Tianchun Wang , Wei Cheng , Zhuomin Chen , Haifeng Chen , Hua Wei , Dongsheng Luo

Recently, graph Convolutional Neural Networks (graph CNNs) have been widely used for graph data representation and semi-supervised learning tasks. However, existing graph CNNs generally use a fixed graph which may be not optimal for…

Computer Vision and Pattern Recognition · Computer Science 2018-11-27 Bo Jiang , Ziyan Zhang , Doudou Lin , Jin Tang

Graphs are ubiquitous in many applications, such as social networks, knowledge graphs, smart grids, etc.. Graph neural networks (GNN) are the current state-of-the-art for these applications, and yet remain obscure to humans. Explaining the…

Machine Learning · Computer Science 2021-11-22 Yazheng Liu , Xi Zhang , Sihong Xie

Graph neural networks (GNNs) achieve remarkable success in graph-based semi-supervised node classification, leveraging the information from neighboring nodes to improve the representation learning of target node. The success of GNNs at node…

Machine Learning · Computer Science 2020-07-28 Bingbing Xu , Junjie Huang , Liang Hou , Huawei Shen , Jinhua Gao , Xueqi Cheng

Graph Neural Networks (GNNs) have shown great promise in learning node embeddings for link prediction (LP). While numerous studies aim to improve the overall LP performance of GNNs, none have explored its varying performance across…

Machine Learning · Computer Science 2023-10-10 Yu Wang , Tong Zhao , Yuying Zhao , Yunchao Liu , Xueqi Cheng , Neil Shah , Tyler Derr

Graph neural networks (GNNs) for link prediction can loosely be divided into two broad categories. First, \emph{node-wise} architectures pre-compute individual embeddings for each node that are later combined by a simple decoder to make…

Machine Learning · Computer Science 2024-12-31 Yuxin Wang , Xiannian Hu , Quan Gan , Xuanjing Huang , Xipeng Qiu , David Wipf