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Graph similarity computation aims to predict a similarity score between one pair of graphs to facilitate downstream applications, such as finding the most similar chemical compounds similar to a query compound or Fewshot 3D Action…

Machine Learning · Computer Science 2021-01-06 Haoyan Xu , Ziheng Duan , Jie Feng , Runjian Chen , Qianru Zhang , Zhongbin Xu , Yueyang Wang

Conformal prediction (CP) is a powerful statistical framework that generates prediction intervals or sets with guaranteed coverage probability. While CP algorithms have evolved beyond traditional classifiers and regressors to sophisticated…

Machine Learning · Computer Science 2026-02-02 Jianguo Huang , Jianqing Song , Xuanning Zhou , Bingyi Jing , Hongxin Wei

Graph Neural Networks (GNNs) have achieved remarkable success in various graph-based tasks (e.g., node classification or link prediction). Despite their triumphs, GNNs still face challenges such as long training and inference times,…

Machine Learning · Computer Science 2025-07-15 Chu-Yuan Wei , Shun-Yao Liu , Sheng-Da Zhuo , Chang-Dong Wang , Shu-Qiang Huang , Mohsen Guizani

Large-scale graph training is a notoriously challenging problem for graph neural networks (GNNs). Due to the nature of evolving graph structures into the training process, vanilla GNNs usually fail to scale up, limited by the GPU memory…

Machine Learning · Computer Science 2023-03-02 Keyu Duan , Zirui Liu , Peihao Wang , Wenqing Zheng , Kaixiong Zhou , Tianlong Chen , Xia Hu , Zhangyang Wang

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

Recently, Graph Neural Networks (GNNs) have greatly advanced the task of graph classification. Typically, we first build a unified GNN model with graphs in a given training set and then use this unified model to predict labels of all the…

Machine Learning · Computer Science 2021-12-15 Yiqi Wang , Yao Ma , Wei Jin , Chaozhuo Li , Charu Aggarwal , Jiliang Tang

Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges…

Machine Learning · Computer Science 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao

Quantifying the data uncertainty in learning tasks is often done by learning a prediction interval or prediction set of the label given the input. Two commonly desired properties for learned prediction sets are \emph{valid coverage} and…

Machine Learning · Computer Science 2022-05-31 Yu Bai , Song Mei , Huan Wang , Yingbo Zhou , Caiming Xiong

Graph Neural Networks have emerged as a useful tool to learn on the data by applying additional constraints based on the graph structure. These graphs are often created with assumed intrinsic relations between the entities. In recent years,…

Machine Learning · Statistics 2021-05-18 Sunil Kumar Maurya , Xin Liu , Tsuyoshi Murata

In this paper, we focus on the problem of conformal prediction with conditional guarantees. Prior work has shown that it is impossible to construct nontrivial prediction sets with full conditional coverage guarantees. A wealth of research…

Machine Learning · Computer Science 2024-04-29 Shayan Kiyani , George Pappas , Hamed Hassani

Graph neural networks (GNNs) are emerging as a powerful technique for modeling graph structures. Due to the sparsity of real-world graph data, GNN performance is limited by extensive sparse matrix multiplication (SpMM) operations involved…

Machine Learning · Computer Science 2021-11-02 Shenghao Qiu , You Liang , Zheng Wang

Conformal prediction (CP) transforms any model's output into prediction sets guaranteed to include (cover) the true label. CP requires exchangeability, a relaxation of the i.i.d. assumption, to obtain a valid distribution-free coverage…

Machine Learning · Computer Science 2024-07-15 Soroush H. Zargarbashi , Aleksandar Bojchevski

In recent years, graph neural networks (GNNs) have facilitated the development of graph data mining. However, training GNNs requires sufficient labeled task-specific data, which is expensive and sometimes unavailable. To be less dependent…

Machine Learning · Computer Science 2025-10-15 Shengyin Sun , Chen Ma , Jiehao Chen

Graph Convolutional Networks (GCNs) have become a crucial tool on learning representations of graph vertices. The main challenge of adapting GCNs on large-scale graphs is the scalability issue that it incurs heavy cost both in computation…

Computer Vision and Pattern Recognition · Computer Science 2018-11-20 Wenbing Huang , Tong Zhang , Yu Rong , Junzhou Huang

In agronomics, predicting crop yield at a per field/county granularity is important for farmers to minimize uncertainty and plan seeding for the next crop cycle. While state-of-the-art prediction techniques employ graph convolutional nets…

Machine Learning · Computer Science 2023-06-05 Saghar Bagheri , Gene Cheung , Tim Eadie

Graph matching is a challenging problem with very important applications in a wide range of fields, from image and video analysis to biological and biomedical problems. We propose a robust graph matching algorithm inspired in…

Optimization and Control · Mathematics 2013-11-26 Marcelo Fiori , Pablo Sprechmann , Joshua Vogelstein , Pablo Musé , Guillermo Sapiro

Graph Neural Networks (GNNs) are powerful tools for recommendation systems, but they often struggle under data sparsity and noise. To address these issues, we implemented LightGCL, a graph contrastive learning model that uses Singular Value…

Information Retrieval · Computer Science 2025-06-03 Aravinda Jatavallabha , Prabhanjan Bharadwaj , Ashish Chander

Recently, the incorporation of both temporal features and the correlation across time series has become an effective approach in time series prediction. Spatio-Temporal Graph Neural Networks (STGNNs) demonstrate good performance on many…

Machine Learning · Computer Science 2024-07-29 Wenbo Yan , Ying Tan

Graph Neural Networks (GNNs) have emerged as effective tools for learning tasks on graph-structured data. Recently, Graph-Informed (GI) layers were introduced to address regression tasks on graph nodes, extending their applicability beyond…

Machine Learning · Computer Science 2024-03-21 Francesco Della Santa

Conformal inference is a method that provides prediction sets for machine learning models, operating independently of the underlying distributional assumptions and relying solely on the exchangeability of training and test data. Despite its…

Methodology · Statistics 2025-10-01 Daniela Corbetta , Livio Finos , Ludwig Geistlinger , Davide Risso