English
Related papers

Related papers: Conformalized Link Prediction on Graph Neural Netw…

200 papers

Link prediction is a fundamental problem in graph data. In its most realistic setting, the problem consists of predicting missing or future links between random pairs of nodes from the set of disconnected pairs. Graph Neural Networks (GNNs)…

Machine Learning · Computer Science 2024-12-03 João Mattos , Zexi Huang , Mert Kosan , Ambuj Singh , Arlei Silva

Dynamic graphs provide a flexible data abstraction for modelling many sorts of real-world systems, such as transport, trade, and social networks. Graph neural networks (GNNs) are powerful tools allowing for different kinds of prediction and…

Machine Learning · Statistics 2025-03-27 Ed Davis , Ian Gallagher , Daniel John Lawson , Patrick Rubin-Delanchy

Link prediction is a classical problem in graph analysis with many practical applications. For directed graphs, recently developed deep learning approaches typically analyze node similarities through contrastive learning and aggregate…

Machine Learning · Computer Science 2025-06-26 Yuyang Zhang , Xu Shen , Yu Xie , Ka-Chun Wong , Weidun Xie , Chengbin Peng

The message-passing mechanism underlying Graph Neural Networks (GNNs) is not naturally suited for heterophilic datasets, where adjacent nodes often have different labels. Most solutions to this problem remain confined to the task of node…

Machine Learning · Computer Science 2025-06-30 Andrea Giuseppe Di Francesco , Francesco Caso , Maria Sofia Bucarelli , Fabrizio Silvestri

Identifying critical nodes and links in graphs is a crucial task. These nodes/links typically represent critical elements/communication links that play a key role in a system's performance. However, a majority of the methods available in…

Social and Information Networks · Computer Science 2022-05-31 Sai Munikoti , Laya Das , Balasubramaniam Natarajan

Accurate uncertainty quantification in graph neural networks (GNNs) is essential, especially in high-stakes domains where GNNs are frequently employed. Conformal prediction (CP) offers a promising framework for quantifying uncertainty by…

Machine Learning · Computer Science 2023-12-06 Seohyeon Cha , Honggu Kang , Joonhyuk Kang

Graph Neural Networks (GNNs) have shown remarkable performance on graph-structured data. However, recent empirical studies suggest that GNNs are very susceptible to distribution shift. There is still significant ambiguity about why…

Machine Learning · Computer Science 2023-06-07 Qi Zhu , Yizhu Jiao , Natalia Ponomareva , Jiawei Han , Bryan Perozzi

Conformal Prediction (CP) is a popular method for uncertainty quantification with machine learning models. While conformal prediction provides probabilistic guarantees regarding the coverage of the true label, these guarantees are agnostic…

Machine Learning · Computer Science 2025-10-21 Aditya T. Vadlamani , Anutam Srinivasan , Pranav Maneriker , Ali Payani , Srinivasan Parthasarathy

Conformal prediction is a distribution-free and model-agnostic uncertainty-quantification method that provides finite-sample prediction intervals with guaranteed coverage. In this work, for the first time, we apply conformal-prediction to…

Nuclear Theory · Physics 2026-02-02 Habib Yousefi Dezdarani , Ryan Curry , Alexandros Gezerlis

Graph Neural Networks (GNNs) have been extensively used in various real-world applications. However, the predictive uncertainty of GNNs stemming from diverse sources such as inherent randomness in data and model training errors can lead to…

Machine Learning · Computer Science 2025-03-11 Fangxin Wang , Yuqing Liu , Kay Liu , Yibo Wang , Sourav Medya , Philip S. Yu

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

Machine Learning · Computer Science 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

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

Graph Neural Networks (GNNs) have been widely applied to various fields for learning over graph-structured data. They have shown significant improvements over traditional heuristic methods in various tasks such as node classification and…

Machine Learning · Computer Science 2022-06-10 Seongjun Yun , Seoyoon Kim , Junhyun Lee , Jaewoo Kang , Hyunwoo J. Kim

Demand forecasting is a prominent business use case that allows retailers to optimize inventory planning, logistics, and core business decisions. One of the key challenges in demand forecasting is accounting for relationships and…

Machine Learning · Computer Science 2024-01-25 Nikita Kozodoi , Elizaveta Zinovyeva , Simon Valentin , João Pereira , Rodrigo Agundez

Graph neural networks (GNNs) have recently gained much attention for node and graph classification tasks on graph-structured data. However, multiple recent works showed that an attacker can easily make GNNs predict incorrectly via…

Cryptography and Security · Computer Science 2021-07-19 Binghui Wang , Jinyuan Jia , Xiaoyu Cao , Neil Zhenqiang Gong

Recently, graph neural networks (GNNs) have been shown powerful capacity at modeling structural data. However, when adapted to downstream tasks, it usually requires abundant task-specific labeled data, which can be extremely scarce in…

Machine Learning · Computer Science 2022-03-04 Yupeng Hou , Binbin Hu , Wayne Xin Zhao , Zhiqiang Zhang , Jun Zhou , Ji-Rong Wen

Graph neural networks (GNNs) are powerful tools for solving graph-related problems. Distributed GNN frameworks and systems enhance the scalability of GNNs and accelerate model training, yet most are optimized for node classification. Their…

Machine Learning · Computer Science 2025-06-27 Xin Huang , Chul-Ho Lee

Graph Neural Networks (GNNs) have achieved state-of-the-art performance for link prediction. However, GNNs suffer from poor interpretability, which limits their adoptions in critical scenarios that require knowing why certain links are…

Machine Learning · Computer Science 2023-05-23 Huaisheng Zhu , Dongsheng Luo , Xianfeng Tang , Junjie Xu , Hui Liu , Suhang Wang

Graph neural networks (GNNs) have been shown to be astonishingly capable models for molecular property prediction, particularly as surrogates for expensive density functional theory calculations of relaxed energy for novel material…

Machine Learning · Computer Science 2024-08-27 Joseph Musielewicz , Janice Lan , Matt Uyttendaele , John R. Kitchin

Link prediction is a widely studied task in Graph Representation Learning (GRL) for modeling relational data. The early theories in GRL were based on the assumption of a symmetric adjacency matrix, reflecting an undirected setting. As a…

Machine Learning · Computer Science 2025-02-24 Jun Zhai , Muberra Ozmen , Thomas Markovich