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Understanding the structural and functional characteristics of proteins are crucial for developing preventative and curative strategies that impact fields from drug discovery to policy development. An important and popular technique for…

Machine Learning · Computer Science 2024-10-17 Sarwan Ali , Taslim Murad , Prakash Chourasia , Haris Mansoor , Imdad Ullah Khan , Pin-Yu Chen , Murray Patterson

There are many different ways in which change point analysis can be performed, from purely parametric methods to those that are distribution free. The ecp package is designed to perform multiple change point analysis while making as few…

Computation · Statistics 2013-11-26 Nicholas A. James , David S. Matteson

To assist in the development of machine learning methods for automated classification of spectroscopic data, we have generated a universal synthetic dataset that can be used for model validation. This dataset contains artificial spectra…

Machine Learning · Computer Science 2022-06-15 Jan Schuetzke , Nathan J. Szymanski , Markus Reischl

For over three decades, scanning probe microscopy (SPM) has been a key method for exploring material structures and functionalities at nanometer and often atomic scales in ambient, liquid, and vacuum environments. Historically, SPM…

Traditional Statistical Process Control (SPC) is essential for quality management but is limited by its reliance on often violated statistical assumptions, leading to unreliable monitoring in modern, complex manufacturing environments. This…

Machine Learning · Computer Science 2025-12-30 Christopher Burger

Scanning probe microscopy (SPM) is a valuable technique by which one can investigate the physical characteristics of the surfaces of materials. However, its widespread use is hampered by the time-consuming nature of running an experiment…

Instrumentation and Detectors · Physics 2025-09-03 Nicholas J. Sullivan , Julio J. Valdés , Kirk H. Bevan , Peter Grutter

Spectral clustering is one of the fundamental unsupervised learning methods widely used in data analysis. Sparse spectral clustering (SSC) imposes sparsity to the spectral clustering and it improves the interpretability of the model. This…

Machine Learning · Statistics 2020-11-03 Zhongruo Wang , Bingyuan Liu , Shixiang Chen , Shiqian Ma , Lingzhou Xue , Hongyu Zhao

Single-Cell RNA sequencing (scRNA-seq) measurements have facilitated genome-scale transcriptomic profiling of individual cells, with the hope of deconvolving cellular dynamic changes in corresponding cell sub-populations to better…

Genomics · Quantitative Biology 2021-04-06 Seyednami Niyakan , Ehsan Hajiramezanali , Shahin Boluki , Siamak Zamani Dadaneh , Xiaoning Qian

Understanding sub-cellular protein localisation is an essential component to analyse context specific protein function. Recent advances in quantitative mass-spectrometry (MS) have led to high resolution mapping of thousands of proteins to…

Applications · Statistics 2019-03-12 Oliver M. Crook , Kathryn S. Lilley , Laurent Gatto , Paul D. W. Kirk

Multiview light sheet fluorescence microscopy (LSFM) allows to image developing organisms in 3D at unprecedented temporal resolution over long periods of time. The resulting massive amounts of raw image data requires extensive processing…

Quantitative Methods · Quantitative Biology 2015-08-12 Christopher Schmied , Peter Steinbach , Tobias Pietzsch , Stephan Preibisch , Pavel Tomancak

Characterization of the electronic band structure of solid state materials is routinely performed using photoemission spectroscopy. Recent advancements in short-wavelength light sources and electron detectors give rise to multidimensional…

Drug resistance presents a major challenge in cancer therapy. Single cell profiling offers insights into cellular heterogeneity, yet the application of large-scale foundation models for predicting drug response in single cell data remains…

Artificial Intelligence · Computer Science 2025-05-12 Qing Wang , Yining Pan , Minghao Zhou , Zijia Tang , Yanfei Wang , Guangyu Wang , Qianqian Song

The single-cell RNA sequencing (scRNA-seq) technology enables researchers to study complex biological systems and diseases with high resolution. The central challenge is synthesizing enough scRNA-seq samples; insufficient samples can impede…

Genomics · Quantitative Biology 2023-12-25 Yixuan Wang , Shuangyin Li , Shimin DI , Lei Chen

Spatial transcriptomics methods capture cellular measurements such as gene expression and cell types at specific locations in a cell, helping provide a localized picture of tissue health. Traditional visualization techniques superimpose the…

Quantitative Methods · Quantitative Biology 2024-10-16 Siyuan Zhao , G. Elisabeta Marai

Checking how well a fitted model explains the data is one of the most fundamental parts of a Bayesian data analysis. However, existing model checking methods suffer from trade-offs between being well-calibrated, automated, and…

Methodology · Statistics 2024-05-24 Jiawei Li , Jonathan H. Huggins

We propose a resampling-based fast variable selection technique for detecting relevant single nucleotide polymorphisms (SNP) in a multi-marker mixed effect model. Due to computational complexity, current practice primarily involves testing…

Applications · Statistics 2025-04-30 Subhabrata Majumdar , Saonli Basu , Matt McGue , Snigdhansu Chatterjee

Security-constrained unit commitment (SCUC) is a computationally complex process utilized in power system day-ahead scheduling and market clearing. SCUC is run daily and requires state-of-the-art algorithms to speed up the process. The…

Machine Learning · Computer Science 2023-06-05 Arun Venkatesh Ramesh , Xingpeng Li

Mass spectrometry proteomics, characterized by spiky, spatially heterogeneous functional data, can be used to identify potential cancer biomarkers. Existing mass spectrometry analyses utilize mean regression to detect spectral regions that…

Methodology · Statistics 2020-07-03 Yusha Liu , Meng Li , Jeffrey S. Morris

Database-search algorithms, that deduce peptides from Mass Spectrometry (MS) data, have tried to improve the computational efficiency to accomplish larger, and more complex systems biology studies. Existing serial, and high-performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-02-08 Muhammad Haseeb , Fahad Saeed

The folding dynamics of proteins at the single molecule level has been studied with single-molecule force spectroscopy (SMFS) experiments for twenty years, but a common standardized method for the analysis of the collected data and for the…

Biomolecules · Quantitative Biology 2018-09-28 Nicola Galvanetto , Andrea Perissinotto , Andrea Pedroni , Vincent Torre