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Two dimensional nuclear magnetic resonance (NMR) spectroscopy is one of the major tools for analysing the chemical structure of organic molecules and proteins. Despite its power, this technique requires long measurement times, which,…

Recent progress in the application of color centers to nanoscale spin sensing makes the combined use of noise spectroscopy and scanning probe imaging an attractive route for the characterization of arbitrary material systems. Unfortunately,…

Magnetic resonance spectroscopic imaging is a widely available imaging modality that can non-invasively provide a metabolic profile of the tissue of interest, yet is challenging to integrate clinically. One major reason is the expensive,…

Computer Vision and Pattern Recognition · Computer Science 2024-09-11 John LaMaster , Dhritiman Das , Florian Kofler , Jason Crane , Yan Li , Tobias Lasser , Bjoern H Menze

Neural network (NN) based approaches for super-resolution MRI typically require high-SNR high-resolution reference data acquired in many subjects, which is time consuming and a barrier to feasible and accessible implementation. We propose…

Image and Video Processing · Electrical Eng. & Systems 2022-11-11 Jiaxin Xiao , Zihan Li , Berkin Bilgic , Jonathan R. Polimeni , Susie Huang , Qiyuan Tian

Deep artificial neural networks are powerful tools with many possible applications in nanophotonics. Here, we demonstrate how a deep neural network can be used as a fast, general purpose predictor of the full near-field and far-field…

Computational Physics · Physics 2020-01-28 Peter R. Wiecha , Otto L. Muskens

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

Using machine learning, we explore the utility of various deep neural networks (NN) when applied to high harmonic generation (HHG) scenarios. First, we train the NNs to predict the time-dependent dipole and spectra of HHG emission from…

Optics · Physics 2023-03-07 M. Lytova , M. Spanner , I. Tamblyn

The growing field of nano nuclear magnetic resonance (nano-NMR) seeks to estimate spectra or discriminate between spectra of minuscule amounts of complex molecules. While this field holds great promise, nano-NMR experiments suffer from…

Quantum Physics · Physics 2019-12-02 Nati Aharon , Amit Rotem , Liam P. McGuinness , Fedor Jelezko , Alex Retzker , Zohar Ringel

The study of structure-spectrum relationships is essential for spectral interpretation, impacting structural elucidation and material design. Predicting spectra from molecular structures is challenging due to their complex relationships.…

Computational Physics · Physics 2024-08-29 Fanjie Xu , Wentao Guo , Feng Wang , Lin Yao , Hongshuai Wang , Fujie Tang , Zhifeng Gao , Linfeng Zhang , Weinan E , Zhong-Qun Tian , Jun Cheng

We explore artificial neural networks as a tool for the reconstruction of spectral functions from imaginary time Green's functions, a classic ill-conditioned inverse problem. Our ansatz is based on a supervised learning framework in which…

Magnetic Resonance Fingerprinting (MRF) is a fast quantitative MR Imaging technique that provides multi-parametric maps with a single acquisition. Neural Networks (NNs) accelerate reconstruction but require significant resources for…

Nuclear Magnetic Resonance (NMR) is used in structural biology to experimentally determine the structure of proteins, which is used in many areas of biology and is an important part of drug development. Unfortunately, NMR data can cost…

Quantitative Methods · Quantitative Biology 2022-08-03 Jia Qi Yip , Dianwen Ng , Bin Ma , Konstantin Pervushin , Eng Siong Chng

In this work, we characterize the performance of a deep convolutional neural network designed to detect and quantify chemical elements in experimental X-ray photoelectron spectroscopy data. Given the lack of a reliable database in…

Disordered Systems and Neural Networks · Physics 2019-09-13 Giovanni Drera , Chahan M. Kropf , Luigi Sangaletti

Deep learning methods can be found in many medical imaging applications. Recently, those methods were applied directly to the RF ultrasound multi-channel data to enhance the quality of the reconstructed images. In this paper, we apply a…

Signal Processing · Electrical Eng. & Systems 2020-11-23 Nissim Peretz , Arie Feuer

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

Model-driven analysis of biophysical phenomena is gaining increased attention and utility for medical imaging applications. In magnetic resonance imaging (MRI), the availability of well-established models for describing the relations…

Medical Physics · Physics 2023-10-31 Dinor Nagar , Nikita Vladimirov , Christian T. Farrar , Or Perlman

Nuclear Magnetic Resonance (NMR) spectroscopy is the cornerstone of small-molecule structure elucidation. While deep learning has demonstrated significant potential in automating structure elucidation and spectral simulation, current…

Computational Engineering, Finance, and Science · Computer Science 2026-01-23 Zheng Fang , Chen Yang , Hai-tao Yu , Haoming Luo , Haitao He , Jiaqing Xie , Zhuo Yang , Jun Xia

Surgical training in medical school residency programs has followed the apprenticeship model. The learning and assessment process is inherently subjective and time-consuming. Thus, there is a need for objective methods to assess surgical…

Computer Vision and Pattern Recognition · Computer Science 2021-03-10 Erim Yanik , Xavier Intes , Uwe Kruger , Pingkun Yan , David Miller , Brian Van Voorst , Basiel Makled , Jack Norfleet , Suvranu De

Magnetic resonance imaging (MRI) is a crucial medical imaging modality. However, long acquisition times remain a significant challenge, leading to increased costs, and reduced patient comfort. Recent studies have shown the potential of…

Computer Vision and Pattern Recognition · Computer Science 2025-07-30 Amirmohammad Shamaei , Alexander Stebner , Salome , Bosshart , Johanna Ospel , Gouri Ginde , Mariana Bento , Roberto Souza

Nuclear Magnetic Resonance (NMR) spectroscopy is a central characterization method for molecular structure elucidation, yet interpreting NMR spectra to deduce molecular structures remains challenging due to the complexity of spectral data…

Chemical Physics · Physics 2025-07-15 Qingsong Yang , Binglan Wu , Xuwei Liu , Bo Chen , Wei Li , Gen Long , Xin Chen , Mingjun Xiao