High-throughput, nondestructive, and precise measurement of seeds is critical for the evaluation of seed quality and the improvement of agricultural productions. To this end, we have developed a novel end-to-end platform named to provide hyperspectr...
Laser-induced breakdown spectroscopy is often combined with a multivariate black box model-such as support vector machines (SVMs)-to obtain desirable quantitative or qualitative results. This approach carries obvious risks when practiced in high-stak...
The structural dynamics of a molecule are determined by the underlying potential energy landscape. Conical intersections are funnels connecting otherwise separate potential energy surfaces. Posited almost a century ago, conical intersections remain t...
Analytical methods : advancing methods and applications
Oct 28, 2021
The feasibility and accuracy of several combination classification models, , quadratic discriminant analysis (QDA), random forest (RF), Bernoulli naïve Bayes (BNB), and support vector machine (SVM) classification models combined with either sequentia...
Light-scattering spectroscopy (LSS) is an established optical approach for characterization of biological tissues. Here, we investigated the capabilities of LSS and convolutional neural networks (CNNs) to quantitatively characterize the composition a...
Journal of chemical information and modeling
Aug 27, 2021
We describe an automated workflow that connects a series of atomic simulation tools to investigate the relationship between atomic structure, lattice dynamics, materials properties, and inelastic neutron scattering (INS) spectra. Starting from the at...
This study aims to investigate the changes in physical and chemical properties of edamame during bean development and apply a spectroscopy-based machine learning (ML) technique to determine optimal harvest time. The edamame harvested at R5 (beginning...
A novel polynomial correction method, order-adaptive polynomial correction (OAPC), was proposed to correct reflectance spectra with operator differences, and convolutional neural network (CNN) was used to develop analysis model to predict behenic aci...
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Jul 16, 2021
An improved Savitzky-Golay (S-G) filtering algorithm was developed to denoise the absorption spectroscopy of nitrogen oxide (NO). A deep learning (DL) network was introduced to the traditional S-G filtering algorithm to adjust the window size and pol...
INTRODUCTION: Medicinal plants are very important to human health, and ensuring their quality and rapid evaluation are the current research concerns. Deep learning has a strong ability in recognition. This study extended it to the identification of m...
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