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As machine learning becomes increasingly central to molecular design, it is vital to ensure the reliability of learnable protein-ligand scoring functions on novel protein targets. While many scoring functions perform well on standard…

Machine Learning · Computer Science 2025-12-08 Jakub Kopko , David Graber , Saltuk Mustafa Eyrilmez , Stanislav Mazurenko , David Bednar , Jiri Sedlar , Josef Sivic

New experimental methods make it possible to measure the expression levels of many genes, simultaneously, in snapshots from thousands or even millions of individual cells. Current approaches to analyze these experiments involve clustering…

Symbolic Regression searches for a function form that approximates a dataset often using Genetic Programming. Since there is usually no restriction to what form the function can have, Genetic Programming may return a hard to understand…

Neural and Evolutionary Computing · Computer Science 2022-05-16 Fabricio Olivetti de Franca

Stratification in both the design and analysis of randomized clinical trials is common. Despite features in automated randomization systems to re-confirm the stratifying variables, incorrect values of these variables may be entered. These…

Methodology · Statistics 2023-07-24 Neal Thomas

Next-generation RNA sequencing (RNA-seq) technology has been widely used to assess full-length RNA isoform abundance in a high-throughput manner. RNA-seq data offer insight into gene expression levels and transcriptome structures, enabling…

Applications · Statistics 2021-12-01 Wei Vivian Li , Anqi Zhao , Shihua Zhang , Jingyi Jessica Li

The identification of predefined groups of genes ("gene-sets") which are differentially expressed between two conditions ("gene-set analysis", or GSA) is a very popular analysis in bioinformatics. GSA incorporates biological knowledge by…

Methodology · Statistics 2013-08-14 Nicolas Städler , Sach Mukherjee

This paper investigates the stochastic fluctuations of the number of copies of a given protein in a cell. This problem has already been addressed in the past and closed-form expressions of the mean and variance have been obtained for a…

Quantitative Methods · Quantitative Biology 2012-06-05 Vincent Fromion , Emanuele Leoncini , Philippe Robert

Genetic studies of human traits have revolutionized our understanding of the variation between individuals, and opened the door for numerous breakthroughs in biology, medicine and other scientific fields. And yet, the ultimate promise of…

Populations and Evolution · Quantitative Biology 2021-08-29 Nadav Brandes , Omer Weissbrod , Michal Linial

RNAnet provides a bridge between two widely used Human gene databases. Ensembl describes DNA sequences and transcripts but not experimental gene expression. Whilst NCBI's GEO contains actual expression levels from Human samples. RNAnet…

Molecular Networks · Quantitative Biology 2010-01-26 W. B. Langdon , Olivia Sanchez Graillet , A. P. Harrison

From the response to external stimuli to cell division and death, the dynamics of living cells is based on the expression of specific genes at specific times. The decision when to express a gene is implemented by the binding and unbinding…

Molecular Networks · Quantitative Biology 2009-11-13 Johannes Berg

We describe the time evolution of gene expression levels by using a time translational matrix to predict future expression levels of genes based on their expression levels at some initial time. We deduce the time translational matrix for…

Statistical Mechanics · Physics 2009-11-07 Neal S. Holter , Amos Maritan , Marek Cieplak , Nina V. Fedoroff , Jayanth R. Banavar

Microarray data analysis is one of the major area of research in the field computational biology. Numerous techniques like clustering, biclustering are often applied to microarray data to extract meaningful outcomes which play key roles in…

Neural and Evolutionary Computing · Computer Science 2019-09-04 Shubhankar Mohapatra , Moumita Sarkar , Anjali Mohapatra , Bhawani Sankar Biswal

Reconstruction of gene regulatory networks is the process of identifying gene dependency from gene expression profile through some computation techniques. In our human body, though all cells pose similar genetic material but the activation…

Hierarchical models are a powerful tool for high-throughput data with a small to moderate number of replicates, as they allow sharing information across units of information, for example, genes. We propose two such models and show its…

Applications · Statistics 2009-10-09 David Rossell

Normalization and scaling are fundamental preprocessing steps in time series modeling, yet their role in Transformer-based models remains underexplored from a theoretical perspective. In this work, we present the first formal analysis of…

Machine Learning · Computer Science 2026-02-20 Sofiane Ennadir , Tianze Wang , Oleg Smirnov , Sahar Asadi , Lele Cao

The ability to generalize to unseen domains is crucial for machine learning systems deployed in the real world, especially when we only have data from limited training domains. In this paper, we propose a simple and effective regularization…

Machine Learning · Computer Science 2023-12-06 Zhenmei Shi , Yifei Ming , Ying Fan , Frederic Sala , Yingyu Liang

Gene expression profiling technologies have been used in various applications such as cancer biology. The development of gene expression profiling has expanded the scope of target discovery in transcriptomic studies, and each technology…

Genomics · Quantitative Biology 2023-01-10 Hyeongseon Jeon , Juan Xie , Yeseul Jeon , Kyeong Joo Jung , Arkobrato Gupta , Won Chang , Dongjun Chung

Genetic variants (GVs) are defined as differences in the DNA sequences among individuals and play a crucial role in diagnosing and treating genetic diseases. The rapid decrease in next generation sequencing cost has led to an exponential…

Machine Learning · Computer Science 2024-12-06 Zehui Li , Vallijah Subasri , Guy-Bart Stan , Yiren Zhao , Bo Wang

Inferring functional relationships within complex networks from static snapshots of a subset of variables is a ubiquitous problem in science. For example, a key challenge of systems biology is to translate cellular heterogeneity data…

Molecular Networks · Quantitative Biology 2024-08-09 Euan Joly-Smith , Zitong Jerry Wang , Andreas Hilfinger

Homeostasis of protein concentrations in cells is crucial for their proper functioning, and this requires concentrations (at their steady-state levels) to be stable to fluctuations. Since gene expression is regulated by proteins such as…

Biological Physics · Physics 2020-11-10 Yipei Guo , Ariel Amir
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