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Deep learning classifiers for Raman spectroscopy are increasingly reported to outperform classical chemometric approaches. However their evaluations are often conducted in isolation or compared against traditional machine learning methods…

Machine Learning · Computer Science 2026-01-23 Adithya Sineesh , Akshita Kamsali

Conventional manual lithological mapping (MLM) through field surveys are resource-extensive and time-consuming. Digital lithological mapping (DLM), harnessing remotely sensed spectral imaging techniques, provides an effective strategy to…

The tools and technology that are currently used to analyze chemical compound structures that identify polymer types in microplastics are not well-calibrated for environmentally weathered microplastics. Microplastics that have been degraded…

Machine Learning · Computer Science 2025-01-09 Sheela Ramanna , Danila Morozovskii , Sam Swanson , Jennifer Bruneau

The rapid advent of machine learning (ML) and artificial intelligence (AI) has catalyzed major transformations in chemistry, yet the application of these methods to spectroscopic and spectrometric data, referred to as Spectroscopy Machine…

Machine learning offers remarkable benefits for improving workplaces and working conditions amongst others in the recycling industry. Here e.g. hand-sorting of medium value scrap is labor intensive and requires experienced and skilled…

Machine Learning · Computer Science 2019-03-25 Maximilian Auer , Kai Osswald , Raphael Volz , Joerg Woidasky

Raman spectroscopy enables non-destructive, label-free imaging with unprecedented molecular contrast but is limited by slow data acquisition, largely preventing high-throughput imaging applications. Here, we present a comprehensive…

Image and Video Processing · Electrical Eng. & Systems 2021-12-02 Conor C. Horgan , Magnus Jensen , Anika Nagelkerke , Jean-Phillipe St-Pierre , Tom Vercauteren , Molly M. Stevens , Mads S. Bergholt

Computational methods that automatically extract knowledge from data are critical for enabling data-driven materials science. A reliable identification of lattice symmetry is a crucial first step for materials characterization and…

Materials Science · Physics 2018-07-19 A. Ziletti , D. Kumar , M. Scheffler , L. M. Ghiringhelli

Two-dimensional (2D) materials have attracted extensive attention due to their unique characteristics and application potentials. Raman spectroscopy, as a rapid and non-destructive probe, exhibits distinct features and holds notable…

Applied Physics · Physics 2023-12-05 Yaping Qi , Dan Hu , Zhenping Wu , Ming Zheng , Guanghui Cheng , Yucheng Jiang , Yong P. Chen

Raman spectroscopy is frequently used to identify composition, structure and layer thickness of 2D materials. Here, we describe an efficient first-principles workflow for calculating resonant first-order Raman spectra of solids within…

Materials Science · Physics 2020-07-15 A. Taghizadeh , U. Leffers , T. G. Pedersen , K. S. Thygesen

Raman spectroscopy is a powerful experimental technique for characterizing molecules and materials that is used in many laboratories. First-principles theoretical calculations of Raman spectra are important because they elucidate the…

Materials Science · Physics 2025-06-25 David A. Egger , Manuel Grumet , Tomáš Bučko

Hyperspectral imaging (HSI) has emerged as a powerful remote sensing tool for mineral exploration, capitalizing on unique spectral signatures of minerals. However, traditional classification methods such as discriminant analysis, logistic…

Computer Vision and Pattern Recognition · Computer Science 2026-01-27 M. L. Mamud , Piyoosh Jaysaval , Frederick D Day-Lewis , M. K. Mudunuru

Metallic materials such as brass, copper, and aluminum are used in numerous applications, including industrial manufacturing. The vibration characteristics of these objects are unique and can be used to identify these objects from a…

A new musical instrument classification method using convolutional neural networks (CNNs) is presented in this paper. Unlike the traditional methods, we investigated a scheme for classifying musical instruments using the learned features…

Sound · Computer Science 2015-12-24 Taejin Park , Taejin Lee

Raman spectroscopy is an important characterization tool with diverse applications in many areas of research. We propose a machine learning method for predicting polarizabilities with the goal of providing Raman spectra from molecular…

Materials Science · Physics 2024-02-02 Manuel Grumet , Clara von Scarpatetti , Tomáš Bučko , David A. Egger

Magnetic resonance spectroscopy (MRS) is an established technique for studying tissue metabolism, particularly in central nervous system disorders. While powerful and versatile, MRS is often limited by challenges associated with data…

Quantitative Methods · Quantitative Biology 2024-08-29 Christopher J. Wu , Lawrence S. Kegeles , Jia Guo

Deep subsurface exploration is important for mining, oil and gas industries, as well as in the assessment of geological units for the disposal of chemical or nuclear waste, or the viability of geothermal energy systems. Typically, detailed…

Computer Vision and Pattern Recognition · Computer Science 2024-03-28 Romana Boiger , Sergey V. Churakov , Ignacio Ballester Llagaria , Georg Kosakowski , Raphael Wüst , Nikolaos I. Prasianakis

Cancer is one of the leading causes of death worldwide, making the development of rapid, minimally invasive, label-free and scalable diagnostic strategies a major challenge in modern oncology. In this context, spectroscopic liquid biopsy…

Machine Learning (ML) for Mineral Prospectivity Mapping (MPM) remains a challenging problem as it requires the analysis of associations between large-scale multi-modal geospatial data and few historical mineral commodity observations…

Machine Learning · Computer Science 2024-06-19 Angel Daruna , Vasily Zadorozhnyy , Georgina Lukoczki , Han-Pang Chiu

We apply deep learning (DL) on Magnetic resonance spectroscopy (MRS) data for the task of brain tumor detection. Medical applications often suffer from data scarcity and corruption by noise. Both of these problems are prominent in our data…

Machine Learning · Computer Science 2021-12-17 Diyuan Lu , Gerhard Kurz , Nenad Polomac , Iskra Gacheva , Elke Hattingen , Jochen Triesch

Laser machining is a highly flexible non-contact manufacturing technique that has been employed widely across academia and industry. Due to nonlinear interactions between light and matter, simulation methods are extremely crucial, as they…

Computational Engineering, Finance, and Science · Computer Science 2023-01-04 Razyeh Behbahani , Hamidreza Yazdani Sarvestani , Erfan Fatehi , Elham Kiyani , Behnam Ashrafi , Mikko Karttunen , Meysam Rahmat