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We introduce a novel way to incorporate prior information into (semi-) supervised non-negative matrix factorization, which we call differentiable dictionary search. It enables general, highly flexible and principled modelling of mixtures…

Audio and Speech Processing · Electrical Eng. & Systems 2022-11-29 Lukáš Samuel Marták , Rainer Kelz , Gerhard Widmer

In recent years, magnetic particle spectroscopy (MPS) has become a highly sensitive and versatile sensing technique for quantitative bioassays. It relies on the dynamic magnetic responses of magnetic nanoparticles (MNPs) for the detection…

We derive a new 3D model for magnetic particle imaging (MPI) that is able to incorporate realistic magnetic fields in the reconstruction process. In real MPI scanners, the generated magnetic fields have distortions that lead to deformed…

Numerical Analysis · Mathematics 2020-12-30 Gaël Bringout , Wolfgang Erb , Jürgen Frikel

Over the last two decades magic angle spinning dynamic nuclear polarization (MAS DNP) has revolutionized NMR for materials characterization, tackling its main limitation of intrinsically low sensitivity. Progress in theoretical…

Chemical Physics · Physics 2025-02-18 Daniel Jardon- Alvarez , Michal Leskes

Magnetic Particle Imaging (MPI) is a novel medical imaging modality. One of the established methods for MPI reconstruction is based on the System Matrix (SM). However, the calibration of the SM is often time-consuming and requires repeated…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Xuqing Geng , Lei Su , Zhongwei Bian , Zewen Sun , Jiaxuan Wen , Jie Tian , Yang Du

Magnetic nanoparticles (MNPs) form the foundation of many technologies, frequently serving to purify proteins or cells from a biological sample or to remove environmental contaminants. Their success relies on their magnetic response, which…

Instrumentation and Detectors · Physics 2025-06-18 Alexis Scholtz , Jack Paulson , Victoria Nunez , Andrea M. Armani

Magnetic particle imaging (MPI) is a medical imaging modality of recent origin, and it exploits the nonlinear magnetization phenomenon to recover the spatially dependent concentration of the nanoparticles. Currently, image reconstruction in…

Numerical Analysis · Mathematics 2019-04-23 Tobias Kluth , Bangti Jin

Magnetic particle imaging (MPI) is an imaging method that can visualize magnetic nanoparticles in positive contrast, without radiation exposure. Recently, we proposed an image reconstruction method for projection-based MPI (pMPI), in which…

Medical Physics · Physics 2023-05-01 Kenya Murase

Solid-state NMR spectroscopy is a powerful technique for the characterization of the atomic-level structure and dynamics of materials. Nevertheless, the use of this technique is often limited by its lack of sensitivity, which can prevent…

Automation and high-throughput characterization and synthesis for material development are becoming increasingly common; these approaches require machine learning (ML) tools to assess material properties, ideally based on a single…

Materials Science · Physics 2025-12-17 Frank M. Abel , Paige Burke , Daniel Wines , Brian Donovan , Michelle E. Jamer , Kamal Choudhary

We investigate the feasibility of the macrospin approximation to account for the actual shape of soft magnetic nanoparticles (MNPs) with realistic geometries. Specifically focusing on magnetite, we use the superellipsoidal parametrisation…

Materials Science · Physics 2026-04-23 Iago López-Vázquez , Òscar Iglesias , David Serantes

Quantitative magnetic resonance imaging (qMRI) is concerned with estimating (in physical units) values of magnetic and tissue parameters e.g., relaxation times $T_1$, $T_2$, or proton density $\rho$. Recently in [Ma et al., Nature, 2013],…

Optimization and Control · Mathematics 2019-03-29 Guozhi Dong , Michael Hintermüller , Kostas Papafitsoros

Purpose: This study evaluates the effectiveness and impact of automated order-based protocol assignment for magnetic resonance imaging (MRI) exams using natural language processing (NLP) and deep learning (DL). Methods: NLP tools were…

Machine Learning · Computer Science 2021-06-17 Andrew S. Nencka , Mohammad Sherafati , Timothy Goebel , Parag Tolat , Kevin M. Koch

Magnetic nanoparticle (MNP) has attracted interest in various research fields due to its special superparamagnetic and strong magneto-optical effects, especially as contrast agents to enhance the contrast of medical imaging. By introducing…

Optics · Physics 2023-08-01 Xinchao Cui , Feidi Xiang , Chong Lu , Chunping Liu , Wenzhong Liu

Magnetic nanoparticles (MNPs) with proper surface functionalization have been extensively applied as labels for magnetic immunoassays, carriers for controlled drug/gene delivery, tracers and contrasts for magnetic imaging, etc. Here, we…

In previous works, we proposed to estimate cosmological parameters with the artificial neural network (ANN) and the mixture density network (MDN). In this work, we propose an improved method called the mixture neural network (MNN) to…

Cosmology and Nongalactic Astrophysics · Physics 2023-08-23 Guo-Jian Wang , Cheng Cheng , Yin-Zhe Ma , Jun-Qing Xia , Amare Abebe , Aroonkumar Beesham

Nonnegative matrix factorization (NMF) is a linear dimensionality reduction technique for analyzing nonnegative data. A key aspect of NMF is the choice of the objective function that depends on the noise model (or statistics of the noise)…

Machine Learning · Computer Science 2021-02-10 Nicolas Gillis , Le Thi Khanh Hien , Valentin Leplat , Vincent Y. F. Tan

We present design and implementation of a novel neural network potential (NNP) and its combination with an electrostatic embedding scheme, commonly used within the context of hybrid quantum-mechanical/molecular-mechanical (QM/MM)…

Chemical Physics · Physics 2025-08-15 Felix Pultar , Moritz Thuerlemann , Igor Gordiy , Eva Doloszeski , Sereina Riniker

Pulsed Dynamic Nuclear Polarization (DNP) is currently receiving substantial interest as a means to enhance the sensitivity of nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) by orders of magnitude. It has also…

Estimating parameters and properties of various materials without causing damage to the material under test (MUT) is important in many applications. Thus, in this letter, we address this by wireless sensing. Here, the accuracy of the…

Signal Processing · Electrical Eng. & Systems 2020-10-29 Udaya S. K. P. Miriya Thanthrige , Jan Barowski , Ilona Rolfes , Daniel Erni , Thomas Kaiser , Aydin Sezgin