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Laser absorption spectroscopy (LAS) is a well-established technique for non-intrusive measurement of gas species in combustion and atmospheric environments, but conventional methods struggle with multi-species mixtures under dynamic or…

Optics · Physics 2026-05-05 Mohamed Sy

Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analysis methods often reach their limits when applied to…

At Argonne National Laboratory, we are developing hard X-ray (2 to 20 keV) Transition Edge Sensor (TES) arrays for beamline science. The significantly improved energy resolution provided by superconducting detectors compared to…

Instrumentation and Detectors · Physics 2021-06-02 T. Guruswamy , L. Gades , A. Miceli , U. Patel , O. Quaranta

Coherent spin resonance methods such as nuclear magnetic resonance (NMR) and electron spin resonance (ESR) spectroscopy have led to spectrally highly sensitive, non-invasive quantum imaging techniques with groundbreaking applications in…

The goal of this paper is to interactively refine the automatic segmentation on challenging structures that fall behind human performance, either due to the scarcity of available annotations or the difficulty nature of the problem itself,…

Computer Vision and Pattern Recognition · Computer Science 2022-10-28 Wentao Liu , Chaofan Ma , Yuhuan Yang , Weidi Xie , Ya Zhang

The design of periodic nanostructures allows to tailor the transport of photons, phonons, and matter waves for specific applications. Recent years have seen a further expansion of this field by engineering topological properties. However,…

Mesoscale and Nanoscale Physics · Physics 2021-06-16 Vittorio Peano , Florian Sapper , Florian Marquardt

Classification of proteins based on their structure provides a valuable resource for studying protein structure, function and evolutionary relationships. With the rapidly increasing number of known protein structures, manual and…

Computational Engineering, Finance, and Science · Computer Science 2009-07-14 Oktie Hassanzadeh

This work contributes to breast cancer sub-type classification using histopathological images. We utilize masked autoencoders (MAEs) to learn a self-supervised embedding tailored for computer vision tasks in this domain. This embedding…

Computer Vision and Pattern Recognition · Computer Science 2025-06-10 Annalisa Chiocchetti , Marco Dossena , Christopher Irwin , Luigi Portinale

Scanning Transmission Electron Microscopy (STEM) offers high-resolution images that are used to quantify the nanoscale atomic structure and composition of materials and biological specimens. In many cases, however, the resolution is limited…

Signal Processing · Electrical Eng. & Systems 2021-12-23 Daniel Nicholls , Alex Robinson , Jack Wells , Amirafshar Moshtaghpour , Mounib Bahri , Angus Kirkland , Nigel Browning

Data-driven approaches are particularly useful for computational materials discovery and design as they can be used for rapidly screening over a very large number of materials, thus suggesting lead candidates for further in-depth…

Materials Science · Physics 2015-07-09 Tran Doan Huan , Arun Mannodi-Kanakkithodi , Rampi Ramprasad

Nowadays, modern electron microscopes deliver images at atomic scale. The precise atomic structure encodes information about material properties. Thus, an important ingredient in the image analysis is to locate the centers of the atoms…

Computer Vision and Pattern Recognition · Computer Science 2017-09-13 Benjamin Berkels , Benedikt Wirth

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

We have developed a coherent Raman imaging platform using broadband coherent anti-Stokes Raman scattering (BCARS) that provides an unprecedented combination of speed, sensitivity, and spectral breadth. The system utilizes a unique…

The ability to perform sensitive, real-time, in situ, multiplex chemical analysis is indispensable for diverse applications such as human health monitoring, food safety testing, forensic analysis, environmental sensing, and homeland…

Ag nanorod arrays/dielectrics/mirror-structured multilayer thin-film are well known, highly sensitive surface-enhanced Raman scattering (SERS) substrates that enhance the Raman scattering cross-section by the interference of light. However,…

Applied Physics · Physics 2020-10-08 Samir Kumar , Misa Kanagawa , Kyoko Namura , Takao Fukuoka , Motofumi Suzuki

Two-dimensional (2D) materials, such as graphene and hexagonal boron nitride, are new kind of materials that can serve as substrates for surface enhanced Raman spectroscopy (SERS). When combined with traditional metallic plasmonic…

Materials Science · Physics 2018-02-28 Ming Xia

Motivation: Tumor classification using Imaging Mass Spectrometry (IMS) data has a high potential for future applications in pathology. Due to the complexity and size of the data, automated feature extraction and classification steps are…

Machine Learning · Statistics 2018-06-28 Jens Behrmann , Christian Etmann , Tobias Boskamp , Rita Casadonte , Jörg Kriegsmann , Peter Maass

The spectral features of water clusters provide important information on their structure and dynamics and can assist in deciphering the nature of the local environment of aqueous solutions in a variety of different conditions. Accurately…

Computational Physics · Physics 2026-03-11 T. Baird , R. Vuilleumier , S. Bonella

SMILES is a linear representation of chemical structures which encodes the connection table, and the stereochemistry of a molecule as a line of text with a grammar structure denoting atoms, bonds, rings and chains, and this information can…

Machine Learning · Computer Science 2018-12-03 Arindam Paul , Dipendra Jha , Reda Al-Bahrani , Wei-keng Liao , Alok Choudhary , Ankit Agrawal

Recent advances in cancer research largely rely on new developments in microscopic or molecular profiling techniques offering high level of detail with respect to either spatial or molecular features, but usually not both. Here, we present…

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