Multifunctional metasurfaces have exhibited extensive potential in various fields, owing to their unparalleled capacity for controlling electromagnetic wave characteristics. The precise resolution is achieved through numerical simulation in conventional metasurface design methodologies. Nevertheless, the simulations using these approaches are inherently computationally costly. This paper proposes the Physical Insight Self-Correcting Convolutional Network (PISC-Net), which enables rapid prediction of infrared radiation spectra of metasurfaces with remarkable generalization capacity. In contrast to preceding prediction networks, we have enhanced the cognitive ability of the network to recognize physical mechanisms by designing parameter-communication modules and integrating a priori knowledge grounded in the parameter association mechanism. Additionally, we proposed an effective strategy for constructing data sets that facilitate precise tuning of absorption bands in the entire spectral range (3-14 μm) and serves to reduce the costs associated with data set development. Transfer learning is employed to obtain precise predictions for large-period metasurfaces from limited data sets. This approach demonstrates that a network trained exclusively on simulation data could predict experimental outcomes accurately, as proved by the comparative analysis between simulation, experimental testing, and prediction results. The average mean square error is less than 4%.
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http://dx.doi.org/10.1021/acsami.4c05709 | DOI Listing |
J Chem Inf Model
January 2025
School of Information Science & Engineering, Lanzhou University, Lanzhou 730000, China.
Efficient and accurate drug-target affinity (DTA) prediction can significantly accelerate the drug development process. Recently, deep learning models have been widely applied to DTA prediction and have achieved notable success. However, existing methods often encounter several common issues: first, the data representations lack sufficient information; second, the extracted features are not comprehensive; and third, most methods lack interpretability when modeling drug-target binding.
View Article and Find Full Text PDFOphthalmol Sci
November 2024
Department of Ophthalmology, University of Colorado Anschutz Medical Campus, Aurora, Colorado.
Objective: Detecting and measuring changes in longitudinal fundus imaging is key to monitoring disease progression in chronic ophthalmic diseases, such as glaucoma and macular degeneration. Clinicians assess changes in disease status by either independently reviewing or manually juxtaposing longitudinally acquired color fundus photos (CFPs). Distinguishing variations in image acquisition due to camera orientation, zoom, and exposure from true disease-related changes can be challenging.
View Article and Find Full Text PDFAnal Chem
January 2025
School of Pharmaceutical Sciences, Wenzhou Medical University, Wenzhou 325035, China.
Label-free surface-enhanced Raman spectroscopy (SERS) combined with machine learning (ML) techniques presents a promising approach for rapid pathogen identification. Previous studies have demonstrated that purine degradation metabolites are the primary contributors to SERS spectra; however, generating these distinguishable spectra typically requires a long incubation time (>10 h) at room temperature. Moreover, the lack of attention to spectral variations between strains of the same bacterial species has limited the generalizability of ML models in real-world applications.
View Article and Find Full Text PDFJ Comput Assist Tomogr
January 2025
Department of Radiology and Biomedical Imaging, Yale University, New Haven, CT.
Background: Treatment-related changes may occur due to radiation and temozolomide in glioblastoma and can mimic tumor progression on conventional MRI. DCE-MRI enables quantification of the extent of blood-brain barrier (BBB) disruption, providing information about areas of suspicious postcontrast T1 enhancement. We compared DCE-MRI processing methods for distinguishing true disease progression from pseudoprogression in high-grade gliomas (HGGs).
View Article and Find Full Text PDFA key contribution to X-ray dark-field (XDF) contrast is the diffusion of X-rays by sample structures smaller than the imaging system's spatial resolution; this is related to position-dependent small-angle X-ray scattering. However, some experimental XDF techniques have reported that XDF contrast is also generated by resolvable sample edges. Speckle-based X-ray imaging (SBXI) extracts the XDF by analyzing sample-imposed changes to a reference speckle pattern's visibility.
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