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Machine learning (ML) is a promising approach for performing challenging quantum-information tasks such as device characterization, calibration and control. ML models can train directly on the data produced by a quantum device while…

We present a machine learning framework for modeling protein dynamics. Our approach uses L1-regularized, reversible hidden Markov models to understand large protein datasets generated via molecular dynamics simulations. Our model is…

Biomolecules · Quantitative Biology 2014-05-08 Robert T. McGibbon , Bharath Ramsundar , Mohammad M. Sultan , Gert Kiss , Vijay S. Pande

In this work we present a system based on a Deep Learning approach, by using a Convolutional Neural Network, capable of classifying protein chains of amino acids based on the protein description contained in the Protein Data Bank. Each…

Machine Learning · Computer Science 2021-11-04 Damiano Perri , Marco Simonetti , Andrea Lombardi , Noelia Faginas-Lago , Osvaldo Gervasi

The dynamics of tumor-immune interactions within a complex tumor microenvironment are typically modeled using a system of ordinary differential equations or partial differential equations. These models introduce some unknown parameters that…

Quantitative Methods · Quantitative Biology 2025-10-22 Bishal Chhetri , B. V. Rathish Kumar

Single-cell RNA sequencing (scRNA-seq) technology provides high-throughput gene expression data to study the cellular heterogeneity and dynamics of complex organisms. Graph neural networks (GNNs) have been widely used for automatic cell…

Machine Learning · Computer Science 2023-12-19 Rui Yang , Wenrui Dai , Chenglin Li , Junni Zou , Dapeng Wu , Hongkai Xiong

Cardiac Magnetic Resonance (CMR) is established as a non-invasive imaging technique for evaluation of heart function, anatomy, and myocardial tissue characterization. Quantitative biomarkers are central for diagnosis and management of heart…

Image and Video Processing · Electrical Eng. & Systems 2024-04-04 Hui Xue , Rhodri H Davies , James Howard , Hunain Shiwani , Azaan Rehman , Iain Pierce , Henry Procter , Marianna Fontana , James C Moon , Eylem Levelt , Peter Kellman

Machine learning (ML) is rapidly transforming the way molecular dynamics simulations are performed and analyzed, from materials modeling to studies of protein folding and function. ML algorithms are often employed to learn low-dimensional…

Soft Condensed Matter · Physics 2025-09-23 Jayashrita Debnath , Gerhard Hummer

We study genetic networks that produce many species of non-coding RNA molecules that are present at a moderate density, as typically exists in the cell. The associations of the many species of these RNA are modeled physically, taking into…

Genomics · Quantitative Biology 2014-09-08 J. M. Deutsch

Recent advances in high-throughput cDNA sequencing (RNA-Seq) technology have revolutionized transcriptome studies. A major motivation for RNA-Seq is to map the structure of expressed transcripts at nucleotide resolution. With accurate…

Genomics · Quantitative Biology 2013-09-23 Georg Zeller , Nico Goernitz , Andre Kahles , Jonas Behr , Pramod Mudrakarta , Soeren Sonnenburg , Gunnar Raetsch

The metabolism of an organism is regulated at the cellular level, yet is strongly influenced by its environment. The precise metabolomic study of living organisms is currently hampered by measurement sensitivity: most metabolomic…

Quantitative Methods · Quantitative Biology 2017-07-28 Jan G. Korvink , Vlad Badilita , Lorenzo Bordonali , Mazin Jouda , Dario Mager , Neil MacKinnon

The Genomic Foundation Model (GFM) paradigm is expected to facilitate the extraction of generalizable representations from massive genomic data, thereby enabling their application across a spectrum of downstream applications. Despite…

Genomics · Quantitative Biology 2024-06-06 Zicheng Liu , Jiahui Li , Siyuan Li , Zelin Zang , Cheng Tan , Yufei Huang , Yajing Bai , Stan Z. Li

Nonsense-mediated mRNA decay (NMD) is a critical post-transcriptional surveillance mechanism that degrades transcripts with premature termination codons, safeguarding transcriptome integrity and shaping disease phenotypes. However,…

Genomics · Quantitative Biology 2025-02-21 Ali Saadat , Jacques Fellay

Single-cell RNA sequencing (scRNA-seq) technology enables systematic delineation of cellular states and interactions, providing crucial insights into cellular heterogeneity. Building on this potential, numerous computational methods have…

Genomics · Quantitative Biology 2025-11-11 Ping Xu , Zaitian Wang , Zhirui Wang , Pengjiang Li , Ran Zhang , Gaoyang Li , Hanyu Xie , Jiajia Wang , Yuanchun Zhou , Pengfei Wang

The Human Genome Project has led to an exponential increase in data related to the sequence, structure, and function of biomolecules. Bioinformatics is an interdisciplinary research field that primarily uses computational methods to analyze…

Biomolecules · Quantitative Biology 2024-05-14 Yanlin Zhou , Tong Zhan , Yichao Wu , Bo Song , Chenxi Shi

Most existing Convolutional Neural Networks(CNNs) used for action recognition are either difficult to optimize or underuse crucial temporal information. Inspired by the fact that the recurrent model consistently makes breakthroughs in the…

Computer Vision and Pattern Recognition · Computer Science 2018-01-04 Zhenxing Zheng , Gaoyun An , Qiuqi Ruan

Long non-coding RNAs (lncRNAs) are a class of non-coding RNAs which play a significant role in several biological processes. RNA-seq based transcriptome sequencing has been extensively used for identification of lncRNAs. However, accurate…

Genomics · Quantitative Biology 2019-02-15 S. Deshpande , J. Shuttleworth , J. Yang , S. Taramonli , M. England

Knowledge tracing---where a machine models the knowledge of a student as they interact with coursework---is a well established problem in computer supported education. Though effectively modeling student knowledge would have high…

Artificial Intelligence · Computer Science 2015-06-22 Chris Piech , Jonathan Spencer , Jonathan Huang , Surya Ganguli , Mehran Sahami , Leonidas Guibas , Jascha Sohl-Dickstein

Deep learning has achieved remarkable success in learning representations for molecules, which is crucial for various biochemical applications, ranging from property prediction to drug design. However, training Deep Neural Networks (DNNs)…

Machine Learning · Computer Science 2023-04-28 Jun Xia , Yanqiao Zhu , Yuanqi Du , Stan Z. Li

Growing evidence from recent studies implies that microRNA or miRNA could serve as biomarkers in various complex human diseases. Since wet-lab experiments are expensive and time-consuming, computational techniques for miRNA-disease…

Quantitative Methods · Quantitative Biology 2021-11-30 Thi Ngan Dong , Megha Khosla

Non-coding RNA sequences play a great role in controlling a number of cellular functions, thus raising the need to understand their complex conformational dynamics in quantitative detail. In this perspective, we first show that single…

Biomolecules · Quantitative Biology 2012-11-29 Jong-Chin Lin , Changbong Hyeon , D. Thirumalai
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