AIMC Topic: Spectrum Analysis

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Mapping Simulated Two-Dimensional Spectra to Molecular Models Using Machine Learning.

The journal of physical chemistry letters
Two-dimensional (2D) spectroscopy encodes molecular properties and dynamics into expansive spectral data sets. Translating these data into meaningful chemical insights is challenging because of the many ways chemical properties can influence the spec...

Distinguishing tumor from healthy tissue in human liver ex vivo using machine learning and multivariate analysis of diffuse reflectance spectra.

Journal of biophotonics
The aim of this work was to evaluate the capability of diffuse reflectance spectroscopy to distinguish malignant liver tissues from surrounding tissues and to determine whether an extended wavelength range (450-1550 nm) offers any advantages over usi...

Design and Implementation of Trace Inspection System Based upon Hyperspectral Imaging Technology.

Computational intelligence and neuroscience
Trace inspection is a key technology for collecting crime scenes in the criminal investigation department. A lot of information can be obtained by restoring and analyzing the remaining traces on the scene. However, with the development of digital tec...

Real-time, in vivo skin cancer triage by laser-induced plasma spectroscopy combined with a deep learning-based diagnostic algorithm.

Journal of the American Academy of Dermatology
BACKGROUND: Although various skin cancer detection devices have been proposed, most of them are not used owing to their insufficient diagnostic accuracies. Laser-induced plasma spectroscopy (LIPS) can noninvasively extract biochemical information of ...

Comparison of Convolutional and Conventional Artificial Neural Networks for Laser-Induced Breakdown Spectroscopy Quantitative Analysis.

Applied spectroscopy
The introduction of "deep learning" algorithms for feature identification in digital imaging has paved the way for artificial intelligence applications that up to a decade ago were considered technologically impossible to achieve, from the developmen...

Theoretical Framework to Predict Generalized Contrast-to-Noise Ratios of Photoacoustic Images With Applications to Computer Vision.

IEEE transactions on ultrasonics, ferroelectrics, and frequency control
The successful integration of computer vision, robotic actuation, and photoacoustic imaging to find and follow targets of interest during surgical and interventional procedures requires accurate photoacoustic target detectability. This detectability ...

High-Speed Ultraviolet Photoacoustic Microscopy for Histological Imaging with Virtual-Staining assisted by Deep Learning.

Journal of visualized experiments : JoVE
Surgical margin analysis (SMA), an essential procedure to confirm the complete excision of cancerous tissue in tumor resection surgery, requires intraoperative diagnostic tools to avoid repeated surgeries due to a positive surgical margin. Recently, ...

Beyond Woodward-Fieser Rules: Design Principles of Property-Oriented Chromophores Based on Explainable Deep Learning Optical Spectroscopy.

Journal of chemical information and modeling
An adequate understanding of molecular structure-property relationships is important for developing new molecules with desired properties. Although deep learning optical spectroscopy (DLOS) has been successfully applied to predict the optical and pho...

Machine learning recognition of protein secondary structures based on two-dimensional spectroscopic descriptors.

Proceedings of the National Academy of Sciences of the United States of America
Protein secondary structure discrimination is crucial for understanding their biological function. It is not generally possible to invert spectroscopic data to yield the structure. We present a machine learning protocol which uses two-dimensional UV ...

Composition analysis of ceramic raw materials using laser-induced breakdown spectroscopy and autoencoder neural network.

Analytical methods : advancing methods and applications
In the ceramic production process, the content of Si, Al, Mg, Fe, Ti and other elements in the ceramic raw materials has an important impact on the quality of the ceramic products. Exploring a method that can quickly and accurately analyze the conten...