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Mass spectrometry imaging (MSI) enables label-free visualization of molecular distributions across tissue samples but generates large and complex datasets that require effective peak picking to reduce data size while preserving meaningful…

Computer Vision and Pattern Recognition · Computer Science 2026-03-12 Philipp Weigand , Nikolas Ebert , Shad A. Mohammed , Denis Abu Sammour , Carsten Hopf , Oliver Wasenmüller

Mixture - modeling of mass spectra is an approach with many potential applications including peak detection and quantification, smoothing, de-noising, feature extraction and spectral signal compression. However, existing algorithms do not…

Computation · Statistics 2015-08-04 Andrzej Polanski , Michal Marczyk , Monika Pietrowska , Piotr Widlak , Joanna Polanska

Mass spectrometry (MS) is an important technique for chemical profiling which calculates for a sample a high dimensional histogram-like spectrum. A crucial step of MS data processing is the peak picking which selects peaks containing…

Machine Learning · Statistics 2009-10-05 Theodore Alexandrov , Klaus Steinhorst , Oliver Keszoecze , Stefan Schiffler

Magnetic Particle Imaging (MPI) is a tomographic imaging technique for determining the spatial distribution of superparamagnetic nanoparticles. Current MPI systems are capable of imaging iron masses over a wide dynamic range of more than…

Magnetic particle imaging (MPI) is an in-vivo imaging method to detect magnetic nanoparticles for blood vessel imaging and molecular target imaging. Compared with conventional molecular imaging devices (such as nuclear medicine imaging PET…

Medical Physics · Physics 2024-04-26 Guang Jia , Zhongwei Bian , Tianshu Li , Shi Bai , Chenxing Hu , Lixuan Zhao , Peng Gao , Tanping Li , Hui Hui , Jie Tian

Mass spectrometry imaging (MSI) as an analytical tool for bio-molecular and bio-medical research targets, accurate compound localization and identification. In terms of dedicated instrumentation, this translates into the demand for more…

Instrumentation and Detectors · Physics 2013-05-24 Julia H. Jungmann , Ron M. A. Heeren

One of the significant steps in the process leading to the identification of proteins is mass spectrometry, which allows for obtaining information about the structure of proteins. Removing isotope peaks from the mass spectrum is vital and…

Machine Learning · Statistics 2023-02-16 Anna Glodek , Joanna Polańska , Marta Gawin

Imaging mass spectrometry (IMS) has transformed proteomics by providing an avenue for collecting spatially distributed molecular data. Mass spectrometry data acquired with matrix assisted laser desorption ionization (MALDI) IMS consist of…

Applications · Statistics 2016-02-05 Lyron J. Winderbaum , Inge Koch , Ove J. R. Gustafsson , Stephan Meding , Peter Hoffmann

We develop a novel peak detection algorithm for the analysis of comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC$\times$GC-TOF MS) data using normal-exponential-Bernoulli (NEB) and mixture probability…

Applications · Statistics 2014-08-04 Seongho Kim , Ming Ouyang , Jaesik Jeong , Changyu Shen , Xiang Zhang

This paper presents a new Bayesian spectral unmixing algorithm to analyse remote scenes sensed via sparse multispectral Lidar measurements. To a first approximation, in the presence of a target, each Lidar waveform consists of a main peak,…

We present a novel nonparametric Bayesian approach based on L\'{e}vy Adaptive Regression Kernels (LARK) to model spectral data arising from MALDI-TOF (Matrix Assisted Laser Desorption Ionization Time-of-Flight) mass spectrometry. This…

Applications · Statistics 2011-07-28 Leanna L. House , Merlise A. Clyde , Robert L. Wolpert

Methods to visualize the two-dimensional distribution of molecules by mass spectrometric imaging evolve rapidly and yield novel applications in biology, medicine, and material surface sciences. Most mass spectrometric imagers acquire high…

Instrumentation and Detectors · Physics 2011-03-11 Casimir Bamberger , Uwe Renz , Andreas Bamberger

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

A sparse modeling approach is proposed for analyzing scanning tunneling microscopy topography data, which contains numerous peaks corresponding to surface atoms. The method, based on the relevance vector machine with $\mathrm{L}_1$…

Data Analysis, Statistics and Probability · Physics 2018-03-13 Masamichi J. Miyama , Koji Hukushima

Mass spectrometry is a widespread approach to work out what are the constituents of a material. Atoms and molecules are removed from the material and collected, and subsequently, a critical step is to infer their correct identities based…

Matrix-Assisted Laser Desorption/Ionisation Mass Spectrometry Imaging (MSI) is a powerful technique for spatially resolved molecular profiling and cancer biomarker discovery. Recent advances, including a novel multiomics workflow, enable…

Methodology · Statistics 2025-09-03 Francesco Denti , Cecilia Balocchi , Vanna Denti , Giulia Capitoli

Proteomic matrix-assisted laser desorption/ionisation (MALDI) linear time-of-flight (TOF) mass spectrometry (MS) may be used to produce protein profiles from biological samples with the aim of discovering biomarkers for disease. However,…

Quantitative Methods · Quantitative Biology 2016-03-24 Tyman E. Stanford , Christopher J. Bagley , Patty J. Solomon

Liquid Chromatography coupled to Mass Spectrometry (LC-MS) based methods are commonly used for high-throughput, quantitative measurements of the proteome (i.e. the set of all proteins in a sample at a given time). Targeted LC-MS produces…

Computer Vision and Pattern Recognition · Computer Science 2020-10-28 Leon L. Xu , Hannes L. Röst

Spectral imaging enables spatially-resolved identification of materials in remote sensing, biomedicine, and astronomy. However, acquisition times require balancing spectral and spatial resolution with signal-to-noise. Hyperspectral imaging…

Computer Vision and Pattern Recognition · Computer Science 2020-03-17 Nguyen Tran , Rupali Mankar , David Mayerich , Zhu Han

Magnetic Particle Imaging (MPI) is a highly sensitive imaging method that enables the visualization of magnetic tracer materials with a temporal resolution of more than 46 volumes per second. In MPI the size of the field of view scales with…

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