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Molecular and lattice vibrations are able to couple to the spin of electrons and lead to their relaxation and decoherence. Ab initio simulations have played a fundamental role in shaping our understanding of this process but further…

Materials Science · Physics 2024-10-14 Valerio Briganti , Alessandro Lunghi

The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…

Biomolecules · Quantitative Biology 2015-10-12 Tomas Ekeberg , Stefan Engblom , Jing Liu

We demonstrate the use of deep learning for fast spectral deconstruction of speckle patterns. The artificial neural network can be effectively trained using numerically constructed multispectral datasets taken from a measured spectral…

Image and Video Processing · Electrical Eng. & Systems 2019-07-16 Ulas Kürüm , P. R. Wiecha , Rebecca French , Otto L. Muskens

Spectral clustering is a novel clustering method which can detect complex shapes of data clusters. However, it requires the eigen decomposition of the graph Laplacian matrix, which is proportion to $O(n^3)$ and thus is not suitable for…

Machine Learning · Computer Science 2013-07-02 Nguyen Lu Dang Khoa , Sanjay Chawla

To reconstruct spectral signals from multi-channel observations, in particular trichromatic RGBs, has recently emerged as a promising alternative to traditional scanning-based spectral imager. It has been proven that the reconstruction…

Image and Video Processing · Electrical Eng. & Systems 2021-03-30 Bo Sun , Junchi Yan , Xiao Zhou , Yinqiang Zheng

Spectral analysis is one of the most powerful technologies for studying and understanding matter. As the devices for spectral analysis, spectrometers are widely used in material detection, isotope analysis, trace gas detection, and the…

Hyperspectral imaging enables versatile applications due to its competence in capturing abundant spatial and spectral information, which are crucial for identifying substances. However, the devices for acquiring hyperspectral images are…

Image and Video Processing · Electrical Eng. & Systems 2022-07-14 Jingang Zhang , Runmu Su , Wenqi Ren , Qiang Fu , Felix Heide , Yunfeng Nie

Coherent Raman scattering provides highly sensitive vibrational analysis through nonlinear light-matter interactions. However, its application to metal interfaces has remained challenging because the intrinsically large non-resonant…

Molecular ions can be held in a chain of laser-cooled atomic ions by sympathetic cooling. This system is ideal for performing high-precision molecular spectroscopy with applications in astrochemistry and fundamental physics. Here we show…

Atomic Physics · Physics 2015-08-20 Ncamiso B. Khanyile , Gang Shu , Kenneth R. Brown

We present a new interatomic potential for solids and liquids called Spectral Neighbor Analysis Potential (SNAP). The SNAP potential has a very general form and uses machine-learning techniques to reproduce the energies, forces, and stress…

Fabry-P\'erot interferometers (FPIs) have become very popular in solar observations because they offer a balance between cadence, spatial resolution, and spectral resolution through a careful design of the spectral sampling scheme according…

Solar and Stellar Astrophysics · Physics 2023-05-03 C. J. Díaz Baso , L. Rouppe van der Voort , J. de la Cruz Rodríguez , J. Leenaarts

When confronted with a substance of unknown identity, researchers often perform mass spectrometry on the sample and compare the observed spectrum to a library of previously-collected spectra to identify the molecule. While popular, this…

Chemical Physics · Physics 2019-05-07 Jennifer N. Wei , David Belanger , Ryan P. Adams , D. Sculley

Purpose: Optical imaging is evolving as a key technique for advanced sensing in the operating room. Recent research has shown that machine learning algorithms can be used to address the inverse problem of converting pixel-wise multispectral…

$\mathrm{\gamma}$-ray spectroscopy is a quantitative, non-destructive technique that may be utilized for the identification and quantitative isotopic estimation of radionuclides. Traditional methods of isotopic determination have various…

Data Analysis, Statistics and Probability · Physics 2023-07-19 Ajeeta Khatiwada , Marc Klasky , Marcie Lombardi , Jason Matheny , Arvind Mohan

Spectral imaging extends the concept of traditional color cameras to capture images across multiple spectral channels and has broad application prospects. Conventional spectral cameras based on scanning methods suffer from low acquisition…

Image and Video Processing · Electrical Eng. & Systems 2023-01-18 Jiawei Yang , Kaiyu Cui , Yidong Huang , Wei Zhang , Xue Feng , Fang Liu

A general theory of electronic excitations in aggregates of molecules coupled to intramolecular vibrations and the harmonic environment is developed for simulation of the third-order nonlinear spectroscopy signals. The model is applied in…

Chemical Physics · Physics 2014-01-17 Vytautas Butkus , Leonas Valkunas , Darius Abramavicius

Vibrational properties of molecular crystals are constantly used as structural fingerprints, in order to identify both the chemical nature and the structural arrangement of molecules. The simulation of these properties is typically very…

Computational Physics · Physics 2019-10-09 Nathaniel Raimbault , Andrea Grisafi , Michele Ceriotti , Mariana Rossi

Multi-parametric magnetic resonance (MR) imaging is an indispensable tool in the clinic. Consequently, automatic volume-of-interest segmentation based on multi-parametric MR imaging is crucial for computer-aided disease diagnosis, treatment…

Image and Video Processing · Electrical Eng. & Systems 2022-11-17 Cheng Li , Yousuf Babiker M. Osman , Weijian Huang , Zhenzhen Xue , Hua Han , Hairong Zheng , Shanshan Wang

In this paper, we consider an intelligent reflecting surface (IRS)-aided single-user system where an IRS with discrete phase shifts is deployed to assist the uplink communication. A practical transmission protocol is proposed to execute…

Information Theory · Computer Science 2019-12-24 Changsheng You , Beixiong Zheng , Rui Zhang

Illuminant estimation aims to infer scene illumination from image measurements despite intrinsic ambiguities between surface reflectance and lighting. Most existing methods operate on trichromatic RGB images and are therefore fundamentally…

Computer Vision and Pattern Recognition · Computer Science 2026-05-14 G. Dofri Vidarsson , Liying Lu , Sabine Süsstrunk
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