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Graph Neural Networks (GNNs) are important across different domains, such as social network analysis and recommendation systems, due to their ability to model complex relational data. This paper introduces subgraph queries as a new task for…

Machine Learning · Computer Science 2024-08-09 Erfaneh Mahmoudzadeh , Parmis Naddaf , Kiarash Zahirnia , Oliver Schulte

We present a method for finding hierarchy-aware embeddings of knowledge graphs (KGs) using graph neural networks (GNNs) enriched with a semantic loss derived from underlying ontologies. This method yields embeddings that better reflect…

Machine Learning · Computer Science 2026-05-21 Filip Kronström , Alexander H. Gower , Daniel Brunnsåker , Ievgeniia A. Tiukova , Ross D. King

The integration of photovoltaic (PV) systems into greenhouses not only optimizes land use but also enhances sustainable agricultural practices by enabling dual benefits of food production and renewable energy generation. However, accurate…

Machine Learning · Computer Science 2025-08-05 Emiliano Seri , Marcello Petitta , Chryssoula Papaioannou , Nikolaos Katsoulas , Cristina Cornaro

Control structure design is an important but tedious step in P&ID development. Generative artificial intelligence (AI) promises to reduce P&ID development time by supporting engineers. Previous research on generative AI in chemical process…

Machine Learning · Computer Science 2026-05-28 Lukas Schulze Balhorn , Kevin Degens , Artur M. Schweidtmann

Understanding the dynamic processes of the glassy system continues to be challenging. Recent advances have shown the power of graph neural networks (GNNs) for determining the correlation between structure and dynamics in the glassy system.…

Disordered Systems and Neural Networks · Physics 2023-10-18 Xiao Jiang , Zean Tian , Kenli Li

Inferring missing links or detecting spurious ones based on observed graphs, known as link prediction, is a long-standing challenge in graph data analysis. With the recent advances in deep learning, graph neural networks have been used for…

Social and Information Networks · Computer Science 2023-01-03 Xingping Xian , Tao Wu , Xiaoke Ma , Shaojie Qiao , Yabin Shao , Chao Wang , Lin Yuan , Yu Wu

Network alignment aims to find regions of topological or functional similarities between networks. In computational biology, it can be used to transfer biological knowledge from a well-studied species to a poorly-studied species between…

Molecular Networks · Quantitative Biology 2014-10-21 Joseph Crawford , Tijana Milenković

Recent research on graph neural networks (GNNs) has explored mechanisms for capturing local uncertainty and exploiting graph hierarchies to mitigate data sparsity and leverage structural properties. However, the synergistic integration of…

Machine Learning · Computer Science 2025-05-06 Yoonhyuk Choi , Jiho Choi , Taewook Ko , Chong-Kwon Kim

Recent advances in machine learning have demonstrated an enormous utility of deep learning approaches, particularly Graph Neural Networks (GNNs) for materials science. These methods have emerged as powerful tools for high-throughput…

Computational Physics · Physics 2025-05-23 Junchi Liu , Ying Tang , Sergei Tretiak , Wenhui Duan , Liujiang Zhou

Fault location in distribution grids is critical for reliability and minimizing outage durations. Yet, it remains challenging due to partial observability, given sparse measurement infrastructure. Recent works show promising results by…

Machine Learning · Computer Science 2026-05-11 Burak Karabulut , Carlo Manna , Chris Develder

Graph neural networks (GNN) have shown outstanding applications in many fields where data is fundamentally represented as graphs (e.g., chemistry, biology, recommendation systems). In this vein, communication networks comprise many…

Graph Neural Networks (GNNs) have become the de facto standard for learning on relational data. While traditional GNNs' message passing is well suited for vector-valued node features, there are cases in which node features are better…

Machine Learning · Computer Science 2026-05-21 André Ribeiro , Ana Luiza Tenório , Tiago da Silva , Diego Mesquita

Graph convolutional neural networks (GCNN) have numerous applications in different graph based learning tasks. Although the techniques obtain impressive results, they often fall short in accounting for the uncertainty associated with the…

Machine Learning · Computer Science 2019-11-13 Soumyasundar Pal , Florence Regol , Mark Coates

Graph Neural Networks (GNNs) have emerged as the de facto standard for representation learning on graphs, owing to their ability to effectively integrate graph topology and node attributes. However, the inherent suboptimal nature of node…

Machine Learning · Computer Science 2023-12-27 Zhiyao Zhou , Sheng Zhou , Bochao Mao , Xuanyi Zhou , Jiawei Chen , Qiaoyu Tan , Daochen Zha , Yan Feng , Chun Chen , Can Wang

Network modeling is a key enabler to achieve efficient network operation in future self-driving Software-Defined Networks. However, we still lack functional network models able to produce accurate predictions of Key Performance Indicators…

Networking and Internet Architecture · Computer Science 2021-06-15 Krzysztof Rusek , José Suárez-Varela , Paul Almasan , Pere Barlet-Ros , Albert Cabellos-Aparicio

Learning graph-structured data with graph neural networks (GNNs) has been recently emerging as an important field because of its wide applicability in bioinformatics, chemoinformatics, social network analysis and data mining. Recent GNN…

Machine Learning · Computer Science 2021-12-16 Cheolhyeong Kim , Haeseong Moon , Hyung Ju Hwang

Graph Neural Networks (GNN) are reshaping our understanding of biomedicine and diseases by revealing the deep connections among genes and cells. As both algorithmic and biomedical technologies have advanced significantly, we're entering a…

Machine Learning · Computer Science 2023-10-17 Konstantinos Lazaros , Dimitris E. Koumadorakis , Panagiotis Vlamos , Aristidis G. Vrahatis

Graph Neural Networks (GNNs) are vital for learning from graph-structured data, enabling applications in network analysis, recommendation systems, and speech analytics. Deploying them on edge devices like client PCs and laptops enhances…

Machine Learning · Computer Science 2025-02-14 Arghadip Das , Shamik Kundu , Arnab Raha , Soumendu Ghosh , Deepak Mathaikutty , Vijay Raghunathan

Interpretable Graph Neural Networks (GNNs) aim to reveal the underlying reasoning behind model predictions, attributing their decisions to specific subgraphs that are informative. However, existing subgraph-based interpretable methods…

Machine Learning · Computer Science 2025-05-02 Jie Yang , Yuwen Wang , Kaixuan Chen , Tongya Zheng , Yihe Zhou , Zhenbang Xiao , Ji Cao , Mingli Song , Shunyu Liu

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