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Advances in machine learning have impacted myriad areas of materials science, ranging from the discovery of novel materials to the improvement of molecular simulations, with likely many more important developments to come. Given the rapid…

Materials Science · Physics 2020-06-26 Dane Morgan , Ryan Jacobs

Identifying molecules from mass spectrometry (MS) data remains a fundamental challenge due to the semantic gap between physical spectral peaks and underlying chemical structures. Existing deep learning approaches often treat spectral…

Machine Learning · Computer Science 2026-02-03 Seunghyun Yoo , Sanghong Kim , Namkyung Yoon , Hwangnam Kim

Neutrino experiments study the least understood of the Standard Model particles by observing their direct interactions with matter or searching for ultra-rare signals. The study of neutrinos typically requires overcoming large backgrounds,…

Computational Physics · Physics 2020-12-30 Fernanda Psihas , Micah Groh , Christopher Tunnell , Karl Warburton

X-ray spectroscopy is one of the most powerful tools to access structure and properties of matter in different states of aggregation as it allows to trace atomic and molecular energy levels in course of various physical and chemical…

Chemical Physics · Physics 2019-06-12 Sergey I. Bokarev , Oliver Kühn

While studying nucleic acids to reveal the weak interactions responsible for their three-dimensional structure and for their interactions with drugs, we also contributed to the field of biomolecular mass spectrometry, both in terms of…

Biological Physics · Physics 2023-06-08 Valérie Gabelica

Spectral imaging enables the analysis of optical material properties that are invisible to the human eye. Different spectral capturing setups, e.g., based on filter-wheel, push-broom, line-scanning, or mosaic cameras, have been introduced…

Image and Video Processing · Electrical Eng. & Systems 2024-10-01 Eric L. Wisotzky , Jost Triller , Anna Hilsmann , Peter Eisert

In general, most of the substances in nature exist in mixtures, and the noninvasive identification of mixture composition with high speed and accuracy remains a difficult task. However, the development of Raman spectroscopy, machine…

Signal Processing · Electrical Eng. & Systems 2022-02-02 Liangrui Pan , Peng Zhang , Chalongrat Daengngam , Mitchai Chongcheawchamnan

Condensed Matter Physics (CMP) seeks to understand the microscopic interactions of matter at the quantum and atomistic levels, and describes how these interactions result in both mesoscopic and macroscopic properties. CMP overlaps with many…

Computational Physics · Physics 2020-11-12 Edwin A. Bedolla-Montiel , Luis Carlos Padierna , Ramón Castañeda-Priego

Feature selection of high-dimensional labeled data with limited observations is critical for making powerful predictive modeling accessible, scalable, and interpretable for domain experts. Spectroscopy data, which records the interaction…

Machine Learning · Computer Science 2022-02-10 Frantishek Akulich , Hadis Anahideh , Manaf Sheyyab , Dhananjay Ambre

In a world where new domains are constantly discovered and machine learning (ML) is applied to automate new tasks every day, challenges arise with the number of samples available to train ML models. While the traditional ML training relies…

Machine Learning · Computer Science 2025-04-08 Andrea Gajic , Sudip Vhaduri

Hyperspectral imaging, also known as image spectrometry, is a landmark technique in geoscience and remote sensing (RS). In the past decade, enormous efforts have been made to process and analyze these hyperspectral (HS) products mainly by…

Computer Vision and Pattern Recognition · Computer Science 2021-03-03 Danfeng Hong , Wei He , Naoto Yokoya , Jing Yao , Lianru Gao , Liangpei Zhang , Jocelyn Chanussot , Xiao Xiang Zhu

Machine learning techniques have found their way into computational chemistry as indispensable tools to accelerate atomistic simulations and materials design. In addition, machine learning approaches hold the potential to boost the…

Chemical Physics · Physics 2025-10-03 Johannes Voss

Future communication systems are faced with increased demand for high capacity, dynamic bandwidth, reliability and heterogeneous traffic. To meet these requirements, networks have become more complex and thus require new design methods and…

Machine Learning · Computer Science 2021-08-16 Dativa K. Tizikara , Jonathan Serugunda , Andrew Katumba

Spectro-microscopy is an experimental technique which can be used to observe spatial variations in chemical state and changes in chemical state over time or under experimental conditions. As a result it has broad applications across areas…

Medical Physics · Physics 2026-02-05 Maike Meier , Lorenzo Lazzarino , Boris Shustin , Hussam Al Daas , Paul Quinn

The quality and safety of food is an important issue to the whole society, since it is at the basis of human health, social development and stability. Ensuring food quality and safety is a complex process, and all stages of food processing…

Computer Vision and Pattern Recognition · Computer Science 2021-03-31 Lili Zhu , Petros Spachos , Erica Pensini , Konstantinos Plataniotis

Pansharpening aims at fusing a panchromatic image with a multispectral one, to generate an image with the high spatial resolution of the former and the high spectral resolution of the latter. In the last decade, many algorithms have been…

Optical spectroscopy plays an essential role across scientific research and industry for non-contact materials analysis1-3, increasingly through in-situ or portable platforms4-6. However, when considering low-light-level applications,…

The exponential growth of internet connected systems has generated numerous challenges, such as spectrum shortage issues, which require efficient spectrum sharing (SS) solutions. Complicated and dynamic SS systems can be exposed to…

Cryptography and Security · Computer Science 2022-01-14 Qun Wang , Haijian Sun , Rose Qingyang Hu , Arupjyoti Bhuyan

Raman spectroscopy provides spectral information related to the specific molecular structures of substances and has been well established as a powerful tool for studying biological tissues and diagnosing diseases. This article reviews…

Hyperspectral images show similar statistical properties to natural grayscale or color photographic images. However, the classification of hyperspectral images is more challenging because of the very high dimensionality of the pixels and…

Computer Vision and Pattern Recognition · Computer Science 2015-04-13 Gustavo Camps-Valls , Devis Tuia , Lorenzo Bruzzone , Jón Atli Benediktsson
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