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Related papers: Foundation model for mass spectrometry proteomics

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Spectral Photon-Counting Computed Tomography (SPCCT) is a promising technology that has shown a number of advantages over conventional X-ray Computed Tomography (CT) in the form of material separation, artefact removal and enhanced image…

Image and Video Processing · Electrical Eng. & Systems 2020-03-10 Dimitris Kamilis , Mario Blatter , Nick Polydorides

Mass spectrometry plays a fundamental role in elucidating the structures of unknown molecules and subsequent scientific discoveries. One formulation of the structure elucidation task is the conditional de novo generation of molecular…

Machine Learning · Computer Science 2025-05-29 Montgomery Bohde , Mrunali Manjrekar , Runzhong Wang , Shuiwang Ji , Connor W. Coley

Signal processing traditionally relies on classical statistical modeling techniques. Such model-based methods utilize mathematical formulations that represent the underlying physics, prior information and additional domain knowledge. Simple…

Signal Processing · Electrical Eng. & Systems 2023-06-08 Nir Shlezinger , Yonina C. Eldar

Mass spectrometry provides a high-throughput approach to identify proteins in biological samples. A key step in the analysis of mass spectrometry data is to identify the peptide sequence that, most probably, gave rise to each observed…

Applications · Statistics 2013-01-14 Qunhua Li , Jimmy K. Eng , Matthew Stephens

Shape matching is a fundamental task in computer graphics and vision, with deep functional maps becoming a prominent paradigm. However, existing methods primarily focus on learning informative feature representations by constraining…

Computer Vision and Pattern Recognition · Computer Science 2026-03-26 Feifan Luo , Hongyang Chen

This article discusses the opportunities, applications and future directions of large-scale pre-trained models, i.e., foundation models, for analyzing medical images. Medical foundation models have immense potential in solving a wide range…

Image and Video Processing · Electrical Eng. & Systems 2023-11-23 Shaoting Zhang , Dimitris Metaxas

Metabolomics complements investigation of the genome, transcriptome, and proteome of an organism. Today, the vast majority of metabolites remain unknown, in particular for non-model organisms. Mass spectrometry is one of the predominant…

Quantitative Methods · Quantitative Biology 2013-07-31 Kai Dührkop , Marcus Ludwig , Marvin Meusel , Sebastian Böcker

Nuclear Magnetic Resonance (NMR) spectrometry uses electro-frequency pulses to probe the resonance of a compound's nucleus, which is then analyzed to determine its structure. The acquisition time of high-resolution NMR spectra remains a…

Mass Spectrometry (MS) is a largely used analytical technique in biology with applications such as the determination of molecule masses or the elucidation of structural data. Fourier Transform Ion Cyclotron Resonance MS is one…

Chemical Physics · Physics 2019-06-17 Laura Duciel , Afef Cherni , Marc-André Delsuc

The ability to accurately model the fitness landscape of protein sequences is critical to a wide range of applications, from quantifying the effects of human variants on disease likelihood, to predicting immune-escape mutations in viruses…

Machine Learning · Computer Science 2022-05-30 Pascal Notin , Mafalda Dias , Jonathan Frazer , Javier Marchena-Hurtado , Aidan Gomez , Debora S. Marks , Yarin Gal

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

Proteins are the main workhorses of biological functions in a cell, a tissue, or an organism. Identification and quantification of proteins in a given sample, e.g. a cell type under normal/disease conditions, are fundamental tasks for the…

Computational Engineering, Finance, and Science · Computer Science 2017-10-10 Ngoc Hieu Tran , Zachariah Levine , Lei Xin , Baozhen Shan , Ming Li

Spectrogram-based representations have grown to dominate the feature space for deep learning audio analysis systems, and are often adopted for speech analysis also. Initially, the primary motivator for spectrogram-based representations was…

Audio and Speech Processing · Electrical Eng. & Systems 2026-03-17 Ian McLoughlin , Lam Pham , Yan Song , Xiaoxiao Miao , Huy Phan , Pengfei Cai , Qing Gu , Jiang Nan , Haoyu Song , Donny Soh

In recent years, deep learning models have become the standard for agricultural computer vision. Such models are typically fine-tuned to agricultural tasks using model weights that were originally fit to more general, non-agricultural…

Computer Vision and Pattern Recognition · Computer Science 2022-08-05 Amogh Joshi , Dario Guevara , Mason Earles

Spectral imaging data acquired via multispectral and hyperspectral cameras can have hundreds of channels, where each channel records the reflectance at a specific wavelength and bandwidth. Time and resource constraints limit our ability to…

Computer Vision and Pattern Recognition · Computer Science 2025-03-04 William Michael Laprade , Jesper Cairo Westergaard , Svend Christensen , Mads Nielsen , Anders Bjorholm Dahl

Sequence coverage in MS analysis of protein digestion-derived peptides is a key issue for detailed characterization of proteins or identification at low quantities. In gel-based proteomics studies, the sequence coverage greatly depends on…

Optical spectroscopy plays an essential role across scientific research and industry for non-contact materials analysis1-3, increasingly through in-situ or portable platforms4-6. However, when considering low-light-level applications,…

Nanobodies are small antibody fragments derived from camelids that selectively bind to antigens. These proteins have marked physicochemical properties that support advanced therapeutics, including treatments for SARS-CoV-2. To realize their…

Quantitative Methods · Quantitative Biology 2021-10-18 Chris McKennan , Zhe Sang , Yi Shi

Single-cell proteomics (SCP) is transforming our understanding of biological complexity by shifting from bulk proteomics, where signals are averaged over thousands of cells, to the proteome analysis of individual cells. This granular…

Quantitative Methods · Quantitative Biology 2025-04-01 Amanda Momenzadeh , Jesse G. Meyer