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Many areas of research are characterised by the deluge of large-scale highly-dimensional time-series data. However, using the data available for prediction and decision making is hampered by the current lag in our ability to uncover and…

Artificial Intelligence · Computer Science 2020-11-24 Zina Ibrahim , Honghan Wu , Richard Dobson

Microarray technology is a process that allows thousands of genes simultaneously monitor to various experimental conditions. It is used to identify the co-expressed genes in specific cells or tissues that are actively used to make proteins,…

Computational Engineering, Finance, and Science · Computer Science 2013-07-16 T. Chandrasekhar , K. Thangavel , E. Elayaraja

Inferencing Gene Regulatory Networks (GRNs) from gene expression data is a pivotal challenge in systems biology, and several innovative computational methods have been introduced. However, most of these studies have not considered the…

Quantitative Methods · Quantitative Biology 2025-01-10 Jiaqi Xiong , Nan Yin , Shiyang Liang , Haoyang Li , Yingxu Wang , Duo Ai , Fang Pan , Jingjie Wang

A widely recognized limitation of molecular prediction models is their reliance on structures observed in the training data, resulting in poor generalization to out-of-distribution compounds. Yet in drug discovery, the compounds most…

Machine Learning · Computer Science 2026-01-05 Jina Kim , Jeffrey Willette , Bruno Andreis , Sung Ju Hwang

Many modern machine learning models are trained to achieve zero or near-zero training error in order to obtain near-optimal (but non-zero) test error. This phenomenon of strong generalization performance for "overfitted" / interpolated…

Machine Learning · Statistics 2018-10-29 Mikhail Belkin , Daniel Hsu , Partha Mitra

Pattern-mixture models provide a transparent approach for handling missing data, where the full-data distribution is factorized in a way that explicitly shows the parts that can be estimated from observed data alone, and the parts that…

Methodology · Statistics 2019-04-26 Yen-Chi Chen , Mauricio Sadinle

Protein-protein interactions (PPIs) are crucial in regulating numerous cellular functions, including signal transduction, transportation, and immune defense. As the accuracy of multi-chain protein complex structure prediction improves, the…

Biomolecules · Quantitative Biology 2024-02-07 Chenqing Hua , Connor Coley , Guy Wolf , Doina Precup , Shuangjia Zheng

Micropatterning techniques have become an important tool for the study of cell behavior in controlled microenvironments. As a consequence, several approaches for the creation of micropatterns have been developed in recent years. However,…

Biological Physics · Physics 2016-02-05 F. J. Segerer , P. J. F. Röttgermann , S. Schuster , A. Piera Alberola , S. Zahler , J. O. Rädler

An active area of research interest is the inference of ecological models of complex microbial communities. Inferring such ecological models entails understanding the interactions between microbes and how they affect each other's growth.…

Applications · Statistics 2022-10-19 William Krinsman

A molecular understanding of how protein function is related to protein structure will require an ability to understand large conformational changes between multiple states. Unfortunately these states are often separated by high free energy…

Biological Physics · Physics 2011-08-08 Juan R. Perilla , Thomas B. Woolf

Machine Learning (ML) models are often complex and difficult to interpret due to their 'black-box' characteristics. Interpretability of a ML model is usually defined as the degree to which a human can understand the cause of decisions…

Methodology · Statistics 2020-06-25 Simon Kocbek , Primoz Kocbek , Leona Cilar , Gregor Stiglic

The main purpose of scattering experiments is to unveil the underlying structure of the colliding particles and their interaction. Typically one measures scattering observables (cross sections and polarizations) at discrete angles and…

Nuclear Theory · Physics 2017-12-01 Enrique Ruiz Arriola , Jose Enrique Amaro , Rodrigo Navarro Perez

The distances over which biological molecules and their complexes can function range from a few nanometres, in the case of folded structures, to millimetres, for example during chromosome organization. Describing phenomena that cover such…

Soft Condensed Matter · Physics 2011-09-28 Changbong Hyeon , D. Thirumalai

Identifying relationships between molecular variations and their clinical presentations has been challenged by the heterogeneous causes of a disease. It is imperative to unveil the relationship between the high dimensional molecular…

Methodology · Statistics 2021-09-02 Wennan Chang , Changlin Wan , Yong Zang , Chi Zhang , Sha Cao

Microarray techniques are widely used in Gene expression analysis. These techniques are based on discovering submatrices of genes that share similar expression patterns across a set of experimental conditions with coherence constraint.…

Quantitative Methods · Quantitative Biology 2020-01-27 Bilal Taher , Muhammad. H Fares , Saeed Jalili

A critical task in systems biology is the identification of genes that interact to control cellular processes by transcriptional activation of a set of target genes. Many methods have been developed to use statistical correlations in…

Quantitative Methods · Quantitative Biology 2010-11-24 Adam A. Margolin , Kai Wang , Andrea Califano , Ilya Nemenman

Copula mixed models for trivariate (or bivariate) meta-analysis of diagnostic test accuracy studies accounting (or not) for disease prevalence have been proposed in the biostatistics literature to synthesize information. However, many…

Methodology · Statistics 2018-07-12 Aristidis K. Nikoloulopoulos

There is increasing evidence that protein binding to specific sites along DNA can activate the reading out of genetic information without coming into direct physical contact with the gene. There also is evidence that these distant but…

Subcellular Processes · Quantitative Biology 2019-12-19 William Bialek , Thomas Gregor , Gašper Tkačik

Background: The availability of high throughput methods for measurement of mRNA concentrations makes the reliability of conclusions drawn from the data and global quality control of samples and hybridization important issues. We address…

Quantitative Methods · Quantitative Biology 2007-05-23 S. Bilke , T. Breslin , M. Sigvardsson

The specificity of molecular recognition is important to molecular self-organization. A prominent example is the biological cell where, within a highly crowded molecular environment, a myriad of different molecular receptor pairs recognize…

Chemical Physics · Physics 2020-09-07 Marc Schenkelberger , Christian Trapp , Timo Mai , Albrecht Ott