Explainable machine learning to uncover hydrogen diffusion mechanism in clinopyroxene

Chemical Geology - Tập 641 - Trang 121776 - 2023
Anzhou Li1, Sensen Wu1, Huan Chen2, Zhenhong Du1, Qunke Xia1
1Key Laboratory of Geoscience Big Data and Deep Resource of Zhejiang Province, School of Earth Sciences, Zhejiang University, Hangzhou 310058, China
2Institute of Marine Geology, College of Oceanography, Hohai University, Nanjing 210098, China

Tài liệu tham khảo

Andrut, 2007, Mechanisms of OH defect incorporation in naturally occurring, hydrothermally formed diopside and jadeite, Phys. Chem. Miner., 34, 543, 10.1007/s00269-007-0169-3 Balan, 2020, Low-temperature infrared spectrum and atomic-scale structure of hydrous defects in diopside, Eur. J. Mineral., 32, 505, 10.5194/ejm-32-505-2020 Cashman, 2017, Vertically extensive and unstable magmatic systems: a unified view of igneous processes, Science, 355, 10.1126/science.aag3055 Chen, 2016, Xgboost: a scalable tree boosting system, 785 Chen, 2017, Heterogeneous source components of intraplate basalts from NE China induced by the ongoing Pacific slab subduction, Earth Planet. Sci. Lett., 459, 208, 10.1016/j.epsl.2016.11.030 Chen, 2020 Chen, 2021, Machine learning for identification of primary water concentrations in mantle pyroxene, Geophys. Res. Lett., 48, 10.1029/2021GL095191 Devos, 2009, Support vector machines (SVM) in near infrared (NIR) spectroscopy: Focus on parameters optimization and model interpretation, Chemom. Intell. Lab. Syst., 96, 27, 10.1016/j.chemolab.2008.11.005 Dramsch, 2020, 70 years of machine learning in geoscience in review, Adv. Geophys., 61, 1, 10.1016/bs.agph.2020.08.002 Ferriss, 2016, Site-specific hydrogen diffusion rates during clinopyroxene dehydration, Contrib. Mineral. Petrol., 171, 1, 10.1007/s00410-016-1262-8 Friedman, 2001, Greedy function approximation: a gradient boosting machine, Ann. Stat., 1189 Hastie, 2009, 2, 1 He, 2022, A review of machine learning in geochemistry and cosmochemistry: Method improvements and applications, Appl. Geochem., 105273, 10.1016/j.apgeochem.2022.105273 Hintze, 1998, Violin plots: a box plot-density trace synergism, Am. Stat., 52, 181 Ingrin, 2006, Diffusion of hydrogen in minerals, Rev. Mineral. Geochem., 62, 291, 10.2138/rmg.2006.62.13 Li, 2023 Li, 2023 Lloyd, 2016, An assessment of clinopyroxene as a recorder of magmatic water and magma ascent rate, J. Petrol., 57, 1865, 10.1093/petrology/egw058 Lundberg, 2017, A unified approach to interpreting model predictions, Adv. Neural Inf. Proces. Syst., 30 Lundberg, 2018 Lundberg, 2020, From local explanations to global understanding with explainable AI for trees, Nat. Machine Intel., 2, 56, 10.1038/s42256-019-0138-9 Morimoto, 1988, Nomenclature of pyroxenes, Mineral. Mag., 52, 535, 10.1180/minmag.1988.052.367.15 Nazzareni, 2020, Magma water content of Pico Volcano (Azores Islands, Portugal): a clinopyroxene perspective, Contrib. Mineral. Petrol., 175, 1, 10.1007/s00410-020-01728-7 Reichstein, 2019, Deep learning and process understanding for data-driven Earth system science, Nature, 566, 195, 10.1038/s41586-019-0912-1 Saha, 2021, Discriminating tectonic setting of igneous rocks using biotite major element chemistry− A machine learning approach, Geochem. Geophys. Geosyst., 22, 10.1029/2021GC010053 Shapley, 1953, A value for n-person games, 307 Skogby, 1989, OH− in pyroxene; an experimental study of incorporation mechanisms and stability, Am. Mineral., 74, 1059 Stalder, 2007, OH incorporation in synthetic diopside, Eur. J. Mineral., 19, 373, 10.1127/0935-1221/2007/0019-1721 Sundvall, 2009, Dehydration-hydration mechanisms in synthetic Fe-poor diopside, Eur. J. Mineral., 21, 17, 10.1127/0935-1221/2009/0021-1880 Troyanskaya, 2001, Missing value estimation methods for DNA microarrays, Bioinformatics, 17, 520, 10.1093/bioinformatics/17.6.520 Wade, 2008, Prediction of magmatic water contents via measurement of H2O in clinopyroxene phenocrysts, Geology, 36, 799, 10.1130/G24964A.1 Wang, 2021, Highly variable H2O/Ce ratios in the Hainan mantle plume, Lithos, 406, 106516, 10.1016/j.lithos.2021.106516 Weis, 2015, Magmatic water contents determined through clinopyroxene: examples from the W estern C anary I slands, S pain, Geochem. Geophys. Geosyst., 16, 2127, 10.1002/2015GC005800 Wilkinson, 1999, Statistical methods in psychology journals: guidelines and explanations, Am. Psychol., 54, 594, 10.1037/0003-066X.54.8.594 Xia, 2013, The distribution of water in the continental lithospheric mantle and its implications for the stability of continents, Chin. Sci. Bull., 58, 3879, 10.1007/s11434-013-5949-1 Yang, 2019, Nature of hydrogen defects in clinopyroxenes from room temperature up to 1000 C: Implication for the preservation of hydrogen in the upper mantle and impact on electrical conductivity, Am. Mineral., 104, 79, 10.2138/am-2019-6661 Zhao, 2019, Involvement of slab-derived fluid in the generation of Cenozoic basalts in Northeast China inferred from machine learning, Geophys. Res. Lett., 46, 5234, 10.1029/2019GL082322