Machine learning in drug development: characterizing the effect of 30 drugs on the QT interval using Gaussian process regression, sensitivity analysis, and uncertainty quantification

DOI10.1016/J.CMA.2019.01.033MaRDI QIDQ1987901zbMATH OpenOpenAlexWikidataFDO

Authors Francisco Sahli Costabal, Kristen Matsuno, Jiang Yao, Paris Perdikaris, Ellen Kuhl

Publication date 16 April 2020

Published in Computer Methods in Applied Mechanics and Engineering (Search for Journal in Brave)

Copyright license Creative Commons Attribution 4.0 International

Full work available at URL https://doi.org/10.1016/j.cma.2019.01.033

zbMATH Keywords

drug developmentfinite element analysisGaussian process regressionmachine learningsensitivity analysisuncertainty quantification

Mathematics Subject Classification ID

Nonparametric regression and quantile regression (62G08) Applications of statistics to biology and medical sciences; meta analysis (62P10)

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Cites work

• A Bayesian approach for global sensitivity analysis of (multifidelity) computer codes
• A fully implicit finite element method for bidomain models of cardiac electromechanics
• A generalized multi-resolution expansion for uncertainty propagation with application to cardiovascular modeling
• A space-fractional monodomain model for cardiac electrophysiology combining anisotropy and heterogeneity on realistic geometries
• Atrial and ventricular fibrillation: computational simulation of spiral waves in cardiac tissue
• Computational modeling of cardiac electrophysiology: A novel finite element approach
• Computational modeling of electrocardiograms: A finite element approach toward cardiac excitation
• Computational modeling of electrochemical coupling: a novel finite element approach towards ionic models for cardiac electrophysiology
• Computational modeling of non-linear diffusion in cardiac electrophysiology: a novel porous-medium approach
• Electromechanics of the heart: a unified approach to the strongly coupled excitation-contraction problem
• Gaussian processes for machine learning.
• Integrated heart -- coupling multiscale and multiphysics models for the simulation of the cardiac function
• Mathematical models of the electrical action potential of Purkinje fibre cells
• Multifidelity information fusion algorithms for high-dimensional systems and massive data sets
• On the limited memory BFGS method for large scale optimization
• Predicting the output from a complex computer code when fast approximations are available
• Probabilistic Sensitivity Analysis of Complex Models: A Bayesian Approach
• The importance of mechano-electrical feedback and inertia in cardiac electromechanics
• The living heart project: a robust and integrative simulator for human heart function

Cited in

(9)

• Visualizing the invisible: the effect of asymptomatic transmission on the outbreak dynamics of COVID-19
• Emulation-accelerated Hamiltonian Monte Carlo algorithms for parameter estimation and uncertainty quantification in differential equation models
• How drugs modulate the performance of the human heart
• Propagation of uncertainty in the mechanical and biological response of growing tissues using multi-fidelity Gaussian process regression
• Multi-fidelity classification using Gaussian processes: accelerating the prediction of large-scale computational models
• Modelling and simulation for preclinical cardiac safety assessment of drugs with human iPSC-derived cardiomyocytes
• The reproduction number of COVID-19 and its correlation with public health interventions
• A Bayesian approach for investigating the risk of QT prolongation
• Reduced-order modeling for applications to the cardiovascular system

Describes a project that uses

Uses Software

• L-BFGS
• ABAQUS

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