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Pressure estimation is crucial for efficient operation and management of water distribution networks (WDNs). However, it is often challenged by limited sensor observations. While graph neural networks (GNNs) have been used to improve hydraulic and water quality predictions of WDNs, their reliance on homogeneous graphs oversimplifies the diverse roles and interactions of hydraulic components, resulting in lower performance under dynamic system states. This research introduces a novel heterogeneous graph neural network (HGNN) framework, which models control units such as pumps and valves as distinct nodes while preserving their interactions through additional edge types. Experimental results using C-Town as a benchmark demonstrate that HGNN outperforms GNN in terms of accuracy, robustness, and adaptability, achieving a mean absolute percentage error (MAPE) of 1.88 % and a mean absolute error (MAE) of 1.70 m under a 95 % masking rate. Additionally, this study shows that optimal sensor placement reduces MAE by up to 15 %, and the proposed HGNN framework achieves high computational efficiency, highlighting its effectiveness in WDN analysis and management. This research offers an advanced and transferable approach for WDN pressure estimation, serving as a superior alternative to traditional pressure evaluation models.
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http://dx.doi.org/10.1016/j.watres.2025.123843 | DOI Listing |
Biol Pharm Bull
September 2025
Computational and Biological Learning Laboratory, University of Cambridge, Cambridge CB21PZ, United Kingdom.
Neuroimaging in rodents holds promise for advancing our understanding of the central nervous system (CNS) mechanisms that underlie chronic pain. Employing two established, but pathophysiologically distinct rodent models of chronic pain, the aim of the present study was to characterize chronic pain-related functional changes with resting-state functional magnetic resonance imaging (fMRI). In Experiment 1, we report findings from Lewis rats 3 weeks after Complete Freund's adjuvant (CFA) injection into the knee joint (n = 16) compared with the controls (n = 14).
View Article and Find Full Text PDFJ Org Chem
September 2025
State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Ocean and Life Sciences, Dalian University of Technology, Panjin 124221, P. R. China.
The Buchwald-Hartwig (B-H) reaction graph, a novel graph for deep learning models, is designed to simulate the interactions among multiple chemical components in the B-H reaction by representing each reactant as an individual node within a custom-designed reaction graph, thereby capturing both single-molecule and intermolecular relationship features. Trained on a high-throughput B-H reaction data set, B-H Reaction Graph Neural Network (BH-RGNN) achieves near-state-of-the-art performance with an score of 0.971 while maintaining low computational costs.
View Article and Find Full Text PDFMol Omics
September 2025
Laboratory of Structural Bioinformatics and Computational Biology, Federal University of Rio Grande do Sul, Av. Bento Gonçalves, 9500, Porto Alegre 91501-970, RS, Brazil.
The integration of multimodal single-cell omics data is a state-of-art strategy for deciphering cellular heterogeneity and gene regulatory mechanisms. Recent advances in single-cell technologies have enabled the comprehensive characterization of cellular states and their interactions. However, integrating these high-dimensional and heterogeneous datasets poses significant computational challenges, including batch effects, sparsity, and modality alignment.
View Article and Find Full Text PDFIEEE J Biomed Health Inform
September 2025
Accurate vascular segmentation is essential for coronary visualization and the diagnosis of coronary heart disease. This task involves the extraction of sparse tree-like vascular branches from volumetric space. However, existing methods have faced significant challenges due to discontinuous vascular segmentation and missing endpoints.
View Article and Find Full Text PDFIEEE J Biomed Health Inform
September 2025
The tumor microenvironment is a dynamic eco system where cellular interactions drive cancer progression. However, inferring cell-cell communication from non-spatial scRNA-seq data remains challenging due to incomplete li gand-receptor databases and noisy cell type annotations. H ere, we propose scGraphDap, a graph neural network frame work that integrates functional state pseudo-labels and graph structure learning to improve both cell type annotation an d CCC inference.
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