An active learning approach for improving the performance of equilibrium based chemical simulations

DOI10.1007/s10596-022-10130-0zbMath1484.86002arXiv2110.08111OpenAlexW3205189303MaRDI QIDQ2130981

Marc Leconte, Benoit Cochepin, Mary Savino, Céline Lévy-Leduc

Publication date: 25 April 2022

Published in: Computational Geosciences (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2110.08111

zbMATH Keywords

Gaussian processmachine learningchemical simulations

Mathematics Subject Classification ID

Learning and adaptive systems in artificial intelligence (68T05) Geostatistics (86A32) Computational methods for problems pertaining to geophysics (86-08)

Uses Software

• PHREEQC
• PhreeqcRM

Cites Work

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• Interpolation of spatial data. Some theory for kriging
• An analysis of operator splitting techniques in the stiff case
• Geochemical equilibrium determination using an artificial neural network in compositional reservoir flow simulation
• Convergence of a splitting method of high order for reaction-diffusion systems
• Iterative Splitting Methods for Differential Equations
• Information-Theoretic Regret Bounds for Gaussian Process Optimization in the Bandit Setting

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