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Purpose: We propose a general framework for quantifying predictive uncertainties of dose-related quantities and leveraging this information in a dose mimicking problem in the context of automated radiation therapy treatment planning.…

Medical Physics · Physics 2021-09-08 Tianfang Zhang , Rasmus Bokrantz , Jimmy Olsson

The technology of functional Magnetic Resonance Imaging (fMRI) based on Blood Oxygen Level Dependent (BOLD) signal has been widely used in clinical treatments and brain function researches. The BOLD signal has to be preprocessed before…

Neurons and Cognition · Quantitative Biology 2017-12-29 Yunxiang Ge , Yu Pan , Weibei Dou

Matrix Assisted Laser Desorption/Ionization Mass Spectrometry (MALDI-MS) is a cornerstone in biomolecular analysis, offering precise identification of pathogens through unique mass spectral signatures. Yet, its reliance on labor-intensive…

Machine Learning · Computer Science 2025-11-24 Kyle M. Regan , Michael McLoughlin , Wayne A. Bryden , Gonzalo R. Arce

Proteins perform nearly all cellular functions and constitute most drug targets, making their analysis fundamental to understanding human biology in health and disease. Tandem mass spectrometry (MS$^2$) is the major analytical technique in…

Biomolecules · Quantitative Biology 2025-09-01 Hao Xu , Zhichao Wang , Shengqi Sang , Pisit Wajanasara , Nuno Bandeira

Background: High-throughput proteomics techniques, such as mass spectrometry (MS)-based approaches, produce very high-dimensional data-sets. In a clinical setting one is often interested in how mass spectra differ between patients of…

Fine-tuning all parameters of Large Language Models (LLMs) is computationally expensive. Parameter-Efficient Fine-Tuning (PEFT) methods address this by selectively fine-tuning specific parameters. Most of the parameter efficient fine-tuning…

Computation and Language · Computer Science 2024-11-19 Ming Dong , Kang Xue , Bolong Zheng , Tingting He

The production of science-ready data from major solar telescopes requires expertise beyond that of the typical observer. This is a consequence of the increasing complexity of instruments and observing sequences, which require calibrations…

Solar and Stellar Astrophysics · Physics 2014-12-17 J. de la Cruz Rodríguez , M. Löfdahl , P. Sütterlin , T. Hillberg , L. Rouppe van der Voort

Mass spectrometry-based proteomics has become the tool of choice for identifying and quantifying the proteome of an organism. Though recent years have seen a tremendous improvement in instrument performance and the computational tools used,…

Any order generation of discrete data using masked diffusion models (MDMs) offers a compelling alternative to traditional autoregressive models, especially in domains that lack a natural causal ordering of data. However, current popular…

Background: Matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI MSI) displays significant potential for applications in cancer research, especially in tumor typing and subtyping. Lung cancer is the primary cause of…

Machine Learning · Statistics 2023-07-13 Gideon Klaila , Vladimir Vutov , Anastasios Stefanou

Laser Ablation Electrospray Ionization is a recent development in mass spectrometry imaging. It has been shown that lipids and small metabolites can be imaged in various samples such as plant material, tissue sections or bacterial colonies…

Biological Physics · Physics 2013-09-05 András Kiss , Donald F. Smith , Brent R. Reschke , Matthew J. Powell , Ron M. A. Heeren

Protein identification and profiling is critical for the advancement of cell and molecular biology as well as medical diagnostics. Although mass spectrometry and protein microarrays are commonly used for protein identification, both methods…

We present our implementation of an automated VLBI data reduction pipeline dedicated to interferometric data imaging and analysis. The pipeline can handle massive VLBI data efficiently which makes it an appropriate tool to investigate…

Instrumentation and Methods for Astrophysics · Physics 2017-12-07 M. Zhang , A. Collioud , P. Charlot

Machine Learning (ML) is increasingly used to automate impactful decisions, which leads to concerns regarding their correctness, reliability, and fairness. We envision highly-automated software platforms to assist data scientists with…

Databases · Computer Science 2024-09-04 Stefan Grafberger

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

Protein folding is the intricate process by which a linear sequence of amino acids self-assembles into a unique three-dimensional structure. Protein folding kinetics is the study of pathways and time-dependent mechanisms a protein undergoes…

Machine Learning · Computer Science 2023-09-19 Vijay Arvind. R , Haribharathi Sivakumar , Brindha. R

Machine learning (ML) offers powerful methods for detecting and modeling associations often in data with large feature spaces and complex associations. Many useful tools/packages (e.g. scikit-learn) have been developed to make the various…

Machine Learning · Computer Science 2022-06-27 Ryan J. Urbanowicz , Robert Zhang , Yuhan Cui , Pranshu Suri

Optical emission spectroscopy of laser-produced plasmas, commonly known as laser-induced breakdown spectroscopy (LIBS), is an emerging analytical tool for rapid soil analysis. However, specific challenges with LIBS exist, such as matrix…

Signal Processing · Electrical Eng. & Systems 2022-08-17 Yingchao Huang , Sivanandan S. Harilal , Abdul Bais , Amina E. Hussein

Deep learning-based segmentation and classification are crucial to large-scale biomedical imaging, particularly for 3D data, where manual analysis is impractical. Although many methods exist, selecting suitable models and tuning parameters…

Computer Vision and Pattern Recognition · Computer Science 2026-02-18 David Exler , Joaquin Eduardo Urrutia Gómez , Martin Krüger , Maike Schliephake , John Jbeily , Mario Vitacolonna , Rüdiger Rudolf , Markus Reischl

Probabilistic Manifold Decomposition (PMD)\cite{doi:10.1137/25M1738863}, developed in our earlier work, provides a nonlinear model reduction by embedding high-dimensional dynamics onto low-dimensional probabilistic manifolds. The PMD has…

Numerical Analysis · Mathematics 2026-01-13 Jiaming Guo , Dunhui Xiao