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Nuclear magnetic resonance (NMR) spectroscopy is one of the leading techniques for protein studies. The method features a number of properties, allowing to explain macromolecular interactions mechanistically and resolve structures with…

Quantitative Methods · Quantitative Biology 2018-08-03 Piotr Klukowski , Adam Gonczarek

With the demand for machine learning increasing, so does the demand for tools which make it easier to use. Automated machine learning (AutoML) tools have been developed to address this need, such as the Tree-Based Pipeline Optimization Tool…

Neural and Evolutionary Computing · Computer Science 2018-03-13 Pieter Gijsbers , Joaquin Vanschoren , Randal S. Olson

Plantar pressure mapping is essential in clinical diagnostics and sports science, yet large heterogeneous datasets often contain outliers from technical errors or procedural inconsistencies. Statistical Parametric Mapping (SPM) provides…

Machine learning (ML) is revolutionising drug discovery by expediting the prediction of small molecule properties essential for developing new drugs. These properties -- including absorption, distribution, metabolism and excretion (ADME)--…

Machine Learning · Computer Science 2024-08-02 Alex G. C. de Sá , David B. Ascher

Context. Multi-element phased-array radio telescopes use digital beamforming to widen their field-of-view with numerous tied-array beams (TABs). These beams share bandpass variations and radio frequency interference (RFI). Yet, most pulsar…

Instrumentation and Methods for Astrophysics · Physics 2026-03-16 Dirk Kuiper , Cees Bassa , Ziggy Pleunis , Jason Hessels

Numerous machine learning (ML) models employed in protein function and structure prediction depend on evolutionary information, which is captured through multiple-sequence alignments (MSA) or position-specific scoring matrices (PSSM) as…

Computational Engineering, Finance, and Science · Computer Science 2024-01-17 Issar Arab

Undersampling is a common method in Magnetic Resonance Imaging (MRI) to subsample the number of data points in k-space, reducing acquisition times at the cost of decreased image quality. A popular approach is to employ undersampling…

Image and Video Processing · Electrical Eng. & Systems 2023-08-23 Tobias Weber , Michael Ingrisch , Bernd Bischl , David Rügamer

Robust and generalizable segmentation of brain tumors on multi-parametric magnetic resonance imaging (MRI) remains difficult because tumor types differ widely. The BraTS 2025 Lighthouse Challenge benchmarks segmentation methods on diverse…

We describe the new spectroscopic data reduction pipeline for the multi-object MMT/Magellan Infrared Spectrograph. The pipeline is implemented in idl as a stand-alone package and is publicly available in both stable and development…

Instrumentation and Methods for Astrophysics · Physics 2015-06-24 Igor Chilingarian , Yuri Beletsky , Sean Moran , Warren Brown , Brian McLeod , Daniel Fabricant

The accuracy of quantitative absorption spectroscopy depends on correctly distinguishing molecular absorption signatures in a measured transmission spectrum from the varying intensity or "baseline" of the light source. Baseline correction…

Instrumentation and Detectors · Physics 2019-12-16 Ryan K. Cole , Amanda S. Makowiecki , Nazanin Hoghooghi , Gregory B. Rieker

Purpose: We address the challenge of inaccurate parameter estimation in diffusion MRI when the signal-to-noise ratio (SNR) is very low, as in the spinal cord. The accuracy of conventional maximum-likelihood estimation (MLE) depends highly…

In this paper we review THELI (Erben & Schrimer, 2005), an image processing pipeline developed to reduce multi-pointing optical images taken by mosaic CCD cameras. This pipeline works on raw images by removing several instrumental…

Instrumentation and Methods for Astrophysics · Physics 2013-09-04 R. Joveini , S. Sotoudeh , A. Roozrokh , M. Taheri

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

We present a simulation experiment of a pipeline based on machine learning algorithms for neutral hydrogen (HI) intensity mapping (IM) surveys with different telescopes. The simulation is conducted on HI signals, foreground emission,…

Instrumentation and Methods for Astrophysics · Physics 2022-09-14 Lin-Cheng Li , Yuan-Gen Wang

Purpose: Accurate segmentation of prostate cancer on magnetic resonance (MR) images is crucial for planning image-guided interventions such as targeted biopsies, cryoablation, and radiotherapy. However, subtle and variable tumour…

Image and Video Processing · Electrical Eng. & Systems 2026-02-23 Junqing Yang , Natasha Thorley , Ahmed Nadeem Abbasi , Shonit Punwani , Zion Tse , Yipeng Hu , Shaheer U. Saeed

Large-scale hypothesis testing has become a ubiquitous problem in high-dimensional statistical inference, with broad applications in various scienfitic disciplines. One relevant application is constituted by imaging mass spectrometry (IMS)…

Methodology · Statistics 2021-08-19 Vladimir Vutov , Thorsten Dickhaus

The Mapper algorithm is an essential tool for visualizing complex, high dimensional data in topology data analysis (TDA) and has been widely used in biomedical research. It outputs a combinatorial graph whose structure implies the shape of…

Machine Learning · Computer Science 2025-04-24 Yuyang Tao , Shufei Ge

The maximum likelihood estimation is computationally demanding for large datasets, particularly when the likelihood function includes integrals. Subsampling can reduce the computational burden, but it often results in efficiency loss.This…

Methodology · Statistics 2026-04-27 Miaomiao Su , Qihua Wang , Ruoyu Wang

Data-driven materials discovery requires large-scale experimental datasets, yet most of the information remains trapped in unstructured literature. Existing extraction efforts often focus on a limited set of features and have not addressed…

Computation and Language · Computer Science 2025-10-08 Xin Wang , Anshu Raj , Matthew Luebbe , Haiming Wen , Shuozhi Xu , Kun Lu

Extracting standardized metallurgical metrics from microscopy images remains challenging due to complex grain morphology and the data demands of supervised segmentation. To bridge foundational computer vision with practical metallurgical…

Computer Vision and Pattern Recognition · Computer Science 2026-04-22 Abdul Mueez , Shruti Vyas