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Highly entangled quantum states are an ingredient in numerous applications in quantum computing. However, preparing these highly entangled quantum states on currently available quantum computers at high fidelity is limited by ubiquitous errors. Besides improving the underlying technology of a quantum computer, the scale and fidelity of these entangled states in near-term quantum computers can be improved by specialized compilation methods. In this work, the compilation of quantum circuits for the preparation of highly entangled architecture-specific graph states is addressed by defining and solving a formal model, i.e., a form of discrete constraint optimization. Our model incorporates information about gate cancellations, gate commutations, and accurate gate timing to determine an optimized graph state preparation circuit. Up to now, these aspects have only been considered independently of each other, typically applied to arbitrary quantum circuits. We quantify the quality of a generated state by performing stabilizer measurements and determining its fidelity. We show that our new method reduces the error when preparing a seven-qubit graph state by 3.5x on average compared to the state-of-the-art Qiskit solution. For a linear eight-qubit graph state, the error is reduced by 6.4x on average. The presented results highlight the ability of our approach to prepare higher fidelity or larger-scale graph states on gate-based quantum computing hardware.
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http://dx.doi.org/10.1038/s41598-024-82715-x | DOI Listing |
J 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 PDFNeuro Endocrinol Lett
September 2025
Department of Neurosurgery, PLA 960th Hospital, Jinan, Shandong, 250031, China.
Objective: To analyze the hotspots and frontiers in the field of subarachnoid hemorrhage using the bibliometrics method and providing references for academic research.
Methods: All published studies related to subarachnoid hemorrhage published in the Web of Science core database from 1 January 2016 to 25 September 2021 were retrospectively identified using VOSviewer and CiteSpace software. Visualization VOSviewer and CiteSpace software were used to perform statistical and cluster analyses on authors, countries, institutions, keywords, and co-cited documents.
Mol 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
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.
View Article and Find Full Text PDFJ Chem Theory Comput
September 2025
Department of Materials Science and Engineering, City University of Hong Kong, Kowloon 999077, Hong Kong China.
Coarse-grained (CG) lipid models enable efficient simulations of large-scale membrane events. However, achieving both speed and atomic-level accuracy remains challenging. Graph neural networks (GNNs) trained on all-atom (AA) simulations can serve as CG force fields, which have demonstrated success in CG simulations of proteins.
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