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Materials characterization remains a significant, time-consuming undertaking. Generally speaking, spectroscopic techniques are used in conjunction with empirical and ab-initio calculations in order to elucidate structure. These experimental…

Materials Science · Physics 2014-05-15 William J. Brouwer , James D. Kubicki , Jorge O. Sofo , C. Lee Giles

Electron microscopy is widely used to explore defects in crystal structures, but human detecting of defects is often time-consuming, error-prone, and unreliable, and is not scalable to large numbers of images or real-time analysis. In this…

This paper presents a novel method for mapping spectral features of the Moon using machine learning-based clustering of hyperspectral data from the Moon Mineral Mapper (M3) imaging spectrometer. The method uses a convolutional variational…

Earth and Planetary Astrophysics · Physics 2024-11-06 Freja Thoresen , Igor Drozdovskiy , Aidan Cowley , Magdelena Laban , Sebastien Besse , Sylvain Blunier

Deep learning (DL) is one of the fastest growing topics in materials data science, with rapidly emerging applications spanning atomistic, image-based, spectral, and textual data modalities. DL allows analysis of unstructured data and…

Materials informatics (MI), emerging from the integration of materials science and data science, is expected to significantly accelerate material development and discovery. The data used in MI are derived from both computational and…

Materials Science · Physics 2025-04-09 Yusuke Hashimoto , Xue Jia , Hao Li , Takaaki Tomai

Through the probing of light-matter interactions, Raman spectroscopy provides invaluable insights into the composition, structure, and dynamics of materials, and obtaining such data from portable and cheap instruments is of immense…

Chemical Physics · Physics 2024-07-03 Vikas Yadav , Abhay Kumar Tiwari , Soumik Siddhanta

Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra. For this task, we designed a probabilistic deep learning algorithm to identify complex multi-phase…

Materials Science · Physics 2021-05-27 Nathan J. Szymanski , Christopher J. Bartel , Yan Zeng , Qingsong Tu , Gerbrand Ceder

A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior examples have demonstrated successful models for some applications,…

Materials Science · Physics 2016-08-29 Logan Ward , Ankit Agrawal , Alok Choudhary , Christopher Wolverton

Raman spectroscopy provides a vibrational profile of the molecules and thus can be used to uniquely identify different kind of materials. This sort of fingerprinting molecules has thus led to widespread application of Raman spectrum in…

In chemical processing and bioprocessing, conventional online sensors are limited to measure only basic process variables like pressure and temperature, pH, dissolved O and CO$_2$ and viable cell density (VCD). The concentration of other…

Quantitative Methods · Quantitative Biology 2020-05-07 Semion Rozov

Musical instrument classification, a key area in Music Information Retrieval, has gained considerable interest due to its applications in education, digital music production, and consumer media. Recent advances in machine learning,…

Sound · Computer Science 2024-11-04 Joanikij Chulev

Studying materials informatics from a data mining perspective can be beneficial for manufacturing and other industrial engineering applications. Predictive data mining technique and machine learning algorithm are combined to design a…

Databases · Computer Science 2012-09-20 Doreswamy , Hemanth K. S

Machine Learning (ML) plays an increasingly important role in the discovery and design of new materials. In this paper, we demonstrate the potential of ML for materials research using hard-magnetic phases as an illustrative case. We build…

Materials Science · Physics 2018-10-04 Johannes J. Möller , Wolfgang Körner , Georg Krugel , Daniel F. Urban , Christian Elsässer

The analysis of Magnetic Resonance Imaging (MRI) sequences enables clinical professionals to monitor the progression of a brain tumor. As the interest for automatizing brain volume MRI analysis increases, it becomes convenient to have each…

Image and Video Processing · Electrical Eng. & Systems 2021-06-08 Jean Pablo Vieira de Mello , Thiago M. Paixão , Rodrigo Berriel , Mauricio Reyes , Claudine Badue , Alberto F. De Souza , Thiago Oliveira-Santos

We explore the application of computer vision and machine learning (ML) techniques to predict material properties (e.g. compressive strength) based on SEM images. We show that it's possible to train ML models to predict materials…

Atomic force microscopy (AFM or SPM) imaging is one of the best matches with machine learning (ML) analysis among microscopy techniques. The digital format of AFM images allows for direct utilization in ML algorithms without the need for…

Biological Physics · Physics 2025-01-07 Igor Sokolov

Person re-identification (ReID) is an important task in computer vision. Recently, deep learning with a metric learning loss has become a common framework for ReID. In this paper, we also propose a new metric learning loss with hard sample…

Computer Vision and Pattern Recognition · Computer Science 2017-10-10 Qiqi Xiao , Hao Luo , Chi Zhang

We search for new superhard B-N-O compounds with an iterative machine learning (ML) procedure, where ML models are trained using sample crystal structures from evolutionary algorithm. We first use cohesive energy to evaluate the…

Materials Science · Physics 2022-06-22 Wei-Chih Chen , Yogesh K. Vohra , Cheng-Chien Chen

Diffuse optical modalities such as broadband near-infrared spectroscopy (bNIRS) and hyperspectral imaging (HSI) represent a promising alternative for low-cost, non-invasive, and fast monitoring of functional and structural properties of…

Raman spectroscopy is an important tool in the study of vibrational properties and composition of molecules, peptides and even proteins. Raman spectra can be simulated based on the change of the electronic polarizability with vibrations,…

Computational Physics · Physics 2024-04-30 Ethan Berger , Juha Niemelä , Outi Lampela , André H. Juffer , Hannu-Pekka Komsa