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Conformal prediction is a non-parametric technique for constructing prediction intervals or sets from arbitrary predictive models under the assumption that the data is exchangeable. It is popular as it comes with theoretical guarantees on…

Machine Learning · Statistics 2025-12-01 Jase Clarkson , Wenkai Xu , Mihai Cucuringu , Yvik Swan , Gesine Reinert

Recent work has questioned the reliability of graph learning benchmarks, citing concerns around task design, methodological rigor, and data suitability. In this extended abstract, we contribute to this discussion by focusing on evaluation…

Machine Learning · Computer Science 2025-06-17 Filip Cornell , Oleg Smirnov , Gabriela Zarzar Gandler , Lele Cao

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

Conformal prediction is a popular uncertainty quantification method that augments a base predictor to return sets of predictions with statistically valid coverage guarantees. However, current methods are often computationally expensive and…

Machine Learning · Computer Science 2026-03-05 Laura Lützow , Michael Eichelbeck , Mykel J. Kochenderfer , Matthias Althoff

Knowledge graphs have been shown to play a significant role in current knowledge mining fields, including life sciences, bioinformatics, computational social sciences, and social network analysis. The problem of link prediction bears many…

Social and Information Networks · Computer Science 2024-09-19 Jens Dörpinghaus , Tobias Hübenthal , Denis Stepanov

The significant increase in world population and urbanisation has brought several important challenges, in particular regarding the sustainability, maintenance and planning of urban mobility. At the same time, the exponential increase of…

Machine Learning · Computer Science 2021-04-28 João Rico , José Barateiro , Arlindo Oliveira

Graph Neural Networks (GNNs), which generalize the deep neural networks to graph-structured data, have achieved great success in modeling graphs. However, as an extension of deep learning for graphs, GNNs lack explainability, which largely…

Machine Learning · Computer Science 2021-08-30 Enyan Dai , Suhang Wang

Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison,…

Machine Learning · Computer Science 2023-05-26 Zhenyu Yang , Ge Zhang , Jia Wu , Jian Yang , Quan Z. Sheng , Shan Xue , Chuan Zhou , Charu Aggarwal , Hao Peng , Wenbin Hu , Edwin Hancock , Pietro Liò

Classification of high dimensional data finds wide-ranging applications. In many of these applications equipping the resulting classification with a measure of uncertainty may be as important as the classification itself. In this paper we…

Machine Learning · Computer Science 2018-02-12 Andrea L. Bertozzi , Xiyang Luo , Andrew M. Stuart , Konstantinos C. Zygalakis

In recent years, graph prompting has emerged as a promising research direction, enabling the learning of additional tokens or subgraphs appended to the original graphs without requiring retraining of pre-trained graph models across various…

Machine Learning · Computer Science 2025-05-28 Qunzhong Wang , Xiangguo Sun , Hong Cheng

Temporal Graph Neural Networks (TGNNs) are pivotal in processing dynamic graphs. However, existing TGNNs primarily target one-time predictions for a given temporal span, whereas many practical applications require continuous predictions,…

Machine Learning · Computer Science 2026-02-16 Zulun Zhu , Siqiang Luo

Measuring the topological overlap of two graphs becomes important when assessing the changes between temporally adjacent graphs in a time-evolving network. Current methods depend on the fraction of nodes that have persisting edges. This…

Physics and Society · Physics 2014-03-06 Fiona Pigott , Mauricio Rene Herrera Marin

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

Uncertainty Sampling is an Active Learning strategy that aims to improve the data efficiency of machine learning models by iteratively acquiring labels of data points with the highest uncertainty. While it has proven effective for…

Machine Learning · Computer Science 2025-02-28 Dominik Fuchsgruber , Tom Wollschläger , Bertrand Charpentier , Antonio Oroz , Stephan Günnemann

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

Conformal prediction provides a powerful framework for constructing distribution-free prediction regions with finite-sample coverage guarantees. While extensively studied in univariate settings, its extension to multi-output problems…

Machine Learning · Statistics 2025-02-04 Victor Dheur , Matteo Fontana , Yorick Estievenart , Naomi Desobry , Souhaib Ben Taieb

Link prediction is a fundamental problem in graph data analysis. While most of the literature focuses on transductive link prediction that requires all the graph nodes and majority of links in training, inductive link prediction, which only…

Machine Learning · Computer Science 2021-10-01 Huidong Liang , Junbin Gao

Graph classification has practical applications in diverse fields. Recent studies show that graph-based machine learning models are especially vulnerable to adversarial perturbations due to the non i.i.d nature of graph data. By adding or…

Machine Learning · Computer Science 2020-09-15 Zhidong Gao , Rui Hu , Yanmin Gong

Node classification is one of the hottest tasks in graph analysis. Though existing studies have explored various node representations in directed and undirected graphs, they have overlooked the distinctions of their capabilities to capture…

Machine Learning · Computer Science 2023-12-07 Seiji Maekawa , Yuya Sasaki , Makoto Onizuka

Graph neural networks (GNNs) are the most widely adopted model in graph-structured data oriented learning and representation. Despite their extraordinary success in real-world applications, understanding their working mechanism by theory is…

Machine Learning · Computer Science 2023-05-16 Huayi Tang , Yong Liu