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Statistical learning algorithms are finding more and more applications in science and technology. Atomic-scale modeling is no exception, with machine learning becoming commonplace as a tool to predict energy, forces and properties of…

Chemical Physics · Physics 2020-12-09 Félix Musil , Michele Ceriotti

Time-of-flight (ToF) imaging has become a widespread technique for depth estimation, allowing affordable off-the-shelf cameras to provide depth maps in real time. However, multipath interference (MPI) resulting from indirect illumination…

Weighing particles above MegaDalton mass range has been a persistent challenge in commercial mass spectrometry. Recently, nanoelectromechanical systems-based mass spectrometry (NEMS-MS) has shown remarkable performance in this mass range,…

Applied Physics · Physics 2023-06-26 Batuhan E. Kaynak , Mohammed Alkhaled , Enise Kartal , Cenk Yanik , M. Selim Hanay

Mass spectrometry-based metabolomic analysis depends upon the identification of spectral peaks by their mass and retention time. Statistical analysis that follows the identification currently relies on one main peak of each compound.…

Quantitative Methods · Quantitative Biology 2014-03-20 Tommi Suvitaival , Simon Rogers , Samuel Kaski

Machine learning model development in chemistry and materials science often grapples with the challenge of small scale, unbalanced labelled datasets, a common limitation in scientific experiments. These dataset imbalances can precipitate…

Chemical Physics · Physics 2026-05-19 Yuze Liu , Xi Yu

The enormous structural and chemical diversity of metal-organic frameworks (MOFs) forces researchers to actively use simulation techniques on an equal footing with experiments. MOFs are widely known for outstanding adsorption properties, so…

Materials Science · Physics 2021-11-22 Vadim V. Korolev , Yurii M. Nevolin , Thomas A. Manz , Pavel V. Protsenko

In the hunt for new and unobserved phenomena in particle physics, attention has turned in recent years to using advanced machine learning techniques for model independent searches. In this paper we highlight the main challenge of applying…

Investigation of well-motivated parameter space in the theories of Beyond the Standard Model (BSM) plays an important role in new physics discoveries. However, a large-scale exploration of models with multi-parameter or equivalent solutions…

High Energy Physics - Phenomenology · Physics 2019-04-09 Jie Ren , Lei Wu , Jin Min Yang , Jun Zhao

Single-photon lidar has become a prominent tool for depth imaging in recent years. At the core of the technique, the depth of a target is measured by constructing a histogram of time delays between emitted light pulses and detected photon…

Signal Processing · Electrical Eng. & Systems 2022-01-06 Michael P. Sheehan , Julián Tachella , Mike E. Davies

Jets from boosted heavy particles have a typical angular scale which can be used to distinguish them from QCD jets. We introduce a machine learning strategy for jet substructure analysis using a spectral function on the angular scale. The…

High Energy Physics - Phenomenology · Physics 2018-10-31 Sung Hak Lim , Mihoko M. Nojiri

The increasing air pollution poses an urgent global concern with far-reaching consequences, such as premature mortality and reduced crop yield, which significantly impact various aspects of our daily lives. Accurate and timely analysis of…

Machine Learning · Computer Science 2023-10-17 Jindong Han , Weijia Zhang , Hao Liu , Hui Xiong

Atmospheric processes involve both space and time. This is why human analysis of atmospheric imagery can often extract more information from animated loops of image sequences than from individual images. Automating such an analysis requires…

Computer Vision and Pattern Recognition · Computer Science 2022-10-26 Akansha Singh Bansal , Yoonjin Lee , Kyle Hilburn , Imme Ebert-Uphoff

In order to obtain a good understanding of astrochemistry, it is crucial to better understand the key parameters that govern grain-surface chemistry. For many chemical networks, these crucial parameters are the binding energies of the…

Astrophysics of Galaxies · Physics 2023-06-12 Johannes Heyl , Serena Viti , Gijs Vermariën

Methane is a potent greenhouse gas and a major driver of climate change, making its timely detection critical for effective mitigation. Machine learning (ML) deployed onboard satellites can enable rapid detection while reducing downlink…

Computer Vision and Pattern Recognition · Computer Science 2026-05-14 Maggie Chen , Hala Lamdouar , Luca Marini , Laura Martínez-Ferrer , Chris Bridges , Giacomo Acciarini

Fluorescence lifetime imaging microscopy (FLIM) is a powerful technique in biomedical research that uses the fluorophore decay rate to provide additional contrast in fluorescence microscopy. However, at present, the calculation, analysis,…

Image and Video Processing · Electrical Eng. & Systems 2021-06-09 Varun Mannam , Yide Zhang , Xiaotong Yuan , Cara Ravasio , Scott S. Howard

Atmospheric retrieval determines the properties of an atmosphere based on its measured spectrum. The low signal-to-noise ratio of exoplanet observations require a Bayesian approach to determine posterior probability distributions of each…

Machine learning is a powerful tool for extracting valuable information and making various predictions from diverse datasets. Traditional machine learning algorithms rely on well-defined input and output variables; however, there are…

Machine Learning · Computer Science 2025-02-05 Anh T. Hoang , Zsolt J. Viharos

Radio interferometry is an observational technique used to study astrophysical phenomena. Data gathered by an interferometer requires substantial processing before astronomers can extract the scientific information from it. Data processing…

Instrumentation and Methods for Astrophysics · Physics 2024-12-24 Brian M. Kirk , Urvashi Rau , Ramyaa Ramyaa

Angular streaking experiments enable for experimentation in the attosecond regions. However, the deployed Time-of-flight detectors are susceptible to noise and failure. These shortcomings make the outputs of the Time-of-flight detectors…

Data Analysis, Statistics and Probability · Physics 2025-07-23 David Meier , Wolfram Helml , Thorsten Otto , Bernhard Sick , Jens Viefhaus , Gregor Hartmann

Scanning probe experiments such as scanning tunneling microscopy (STM) and atomic force microscopy (AFM) on strongly correlated electronic systems often reveal complex pattern formation on multiple length scales. By studying the universal…

Strongly Correlated Electrons · Physics 2019-04-03 L. Burzawa , Shuo Liu , E. W. Carlson