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Graph similarity search is among the most important graph-based applications, e.g. finding the chemical compounds that are most similar to a query compound. Graph similarity computation, such as Graph Edit Distance (GED) and Maximum Common…

Machine Learning · Computer Science 2020-03-03 Yunsheng Bai , Hao Ding , Song Bian , Ting Chen , Yizhou Sun , Wei Wang

Conformal prediction (CP) provides a distribution-free approach to uncertainty quantification with finite-sample guarantees. However, applying CP to graph neural networks (GNNs) remains challenging as the combinatorial nature of graphs…

Machine Learning · Computer Science 2026-05-11 Peyman Baghershahi , Fangxin Wang , Debmalya Mandal , Sourav Medya

A graphical model is a structured representation of locally dependent random variables. A traditional method to reason over these random variables is to perform inference using belief propagation. When provided with the true data generating…

Machine Learning · Computer Science 2021-03-17 Victor Garcia Satorras , Max Welling

The current surge of interest in graph-based data models mirrors the usage of increasingly complex reachability queries, as witnessed by recent analytical studies on real-world graph query logs. Despite the maturity of graph DBMS…

Databases · Computer Science 2018-11-29 Stefania Dumbrava , Angela Bonifati , Amaia Nazabal Ruiz Diaz , Romain Vuillemot

Graph neural networks (GNNs) have demonstrated excellent performance in a wide range of applications. However, the enormous size of large-scale graphs hinders their applications under real-time inference scenarios. Although existing…

Machine Learning · Computer Science 2022-12-29 Xinyi Gao , Wentao Zhang , Yingxia Shao , Quoc Viet Hung Nguyen , Bin Cui , Hongzhi Yin

Graph classification is an important area in both modern research and industry. Multiple applications, especially in chemistry and novel drug discovery, encourage rapid development of machine learning models in this area. To keep up with…

Machine Learning · Computer Science 2022-11-08 Jakub Adamczyk

Clustering data into meaningful subsets is a major task in scientific data analysis. To date, various strategies ranging from model-based approaches to data-driven schemes, have been devised for efficient and accurate clustering. One…

Machine Learning · Computer Science 2023-01-31 Omar Maddouri , Xiaoning Qian , Byung-Jun Yoon

Graph neural networks (GNN) typically rely on localized message passing, requiring increasing depth to capture long range dependencies. In this work, we introduce Graph Linear Transformations, a linear transformation that realizes direct…

Machine Learning · Computer Science 2026-01-19 Marshall Rosenhoover , Huaming Zhang

Graph neural networks (GNNs) are powerful tools for learning from graph data and are widely used in various applications such as social network recommendation, fraud detection, and graph search. The graphs in these applications are…

Machine Learning · Computer Science 2021-06-14 Jialin Dong , Da Zheng , Lin F. Yang , Geroge Karypis

A graph neural network (GNN) based access point (AP) selection algorithm for cell-free massive multiple-input multiple-output (MIMO) systems is proposed. Two graphs, a homogeneous graph which includes only AP nodes representing the…

Information Theory · Computer Science 2021-09-28 Vismika Ranasinghe , Nandana Rajatheva , Matti Latva-aho

Graph Neural Networks (GNNs) have proven to be highly effective in various graph learning tasks. A key characteristic of GNNs is their use of a fixed number of message-passing steps for all nodes in the graph, regardless of each node's…

Machine Learning · Computer Science 2025-09-03 Yassine Abbahaddou , Fragkiskos D. Malliaros , Johannes F. Lutzeyer , Michalis Vazirgiannis

Next Point-of-Interest (POI) recommendation is a critical task in location-based services, aiming to predict users' next visits based on their check-in histories. While many existing methods leverage Graph Neural Networks (GNNs) to…

Information Retrieval · Computer Science 2025-06-13 Yu Lei , Limin Shen , Zhu Sun , Tiantian He , Yew-Soon Ong

Graph Neural Networks (GNNs) have emerged as a powerful technique for learning on relational data. Owing to the relatively limited number of message passing steps they perform -- and hence a smaller receptive field -- there has been…

Machine Learning · Computer Science 2022-06-27 Ameya Velingker , Ali Kemal Sinop , Ira Ktena , Petar Veličković , Sreenivas Gollapudi

The current success of Graph Neural Networks (GNNs) usually relies on loading the entire attributed graph for processing, which may not be satisfied with limited memory resources, especially when the attributed graph is large. This paper…

Machine Learning · Computer Science 2022-10-25 Junfu Wang , Yuanfang Guo , Liang Yang , Yunhong Wang

The concern of overconfident mis-predictions under distributional shift demands extensive reliability research on Graph Neural Networks used in critical tasks in drug discovery. Here we first introduce CardioTox, a real-world benchmark on…

Machine Learning · Computer Science 2021-11-29 Kehang Han , Balaji Lakshminarayanan , Jeremiah Liu

Traffic flow forecasting is a highly challenging task due to the dynamic spatial-temporal road conditions. Graph neural networks (GNN) has been widely applied in this task. However, most of these GNNs ignore the effects of time-varying road…

Machine Learning · Computer Science 2023-07-13 Zhengdao Li , Wei Li , Kai Hwang

Graph Neural Networks (GNNs) have achieved tremendous success in various real-world applications due to their strong ability in graph representation learning. GNNs explore the graph structure and node features by aggregating and…

Machine Learning · Computer Science 2021-03-09 Wei Jin , Tyler Derr , Yiqi Wang , Yao Ma , Zitao Liu , Jiliang Tang

Probabilistic graphical models provide a powerful tool to describe complex statistical structure, with many real-world applications in science and engineering from controlling robotic arms to understanding neuronal computations. A major…

Artificial Intelligence · Computer Science 2023-05-04 Yicheng Fei , Xaq Pitkow

Graph condensation reduces the size of large graphs while preserving performance, addressing the scalability challenges of Graph Neural Networks caused by computational inefficiencies on large datasets. Existing methods often rely on…

Machine Learning · Computer Science 2025-10-10 Lin Wang , Qing Li

Graph Neural Networks (GNNs) combine node attributes over a fixed granularity of the local graph structure around a node to predict its label. However, different nodes may relate to a node-level property with a different granularity of its…

Machine Learning · Computer Science 2025-06-19 Kartik Sharma , Vineeth Rakesh , Yingtong Dou , Srijan Kumar , Mahashweta Das
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