RocMLMs: Predicting Rock Properties Through Machine Learning Models

Abstract Mineral phase transformations significantly alter the bulk density and elastic properties of mantle rocks and consequently have profound effects on mantle dynamics and seismic wave propagation. These changes in the physical properties of mantle rocks result from evolution in the equilibrium mineralogical composition, which can be predicted by the minimization of the Gibbs Free Energy with respect to pressure (P), temperature (T), and chemical composition (X). Thus, numerical models that simulate mantle convection and/or probe the elastic structure of the Earth's mantle must account for varying mineralogical compositions to be self‐consistent. Yet coupling Gibbs Free Energy minimization (GFEM) approaches with numerical geodynamic models is currently intractable for high‐resolution simulations because prediction speeds of widely‐used GFEM programs (10 0 –10 2 ms) are impractical in many cases. As an alternative, this study introduces machine learning models (RocMLMs) that have been trained to predict thermodynamically self‐consistent rock properties at arbitrary PTX conditions between 1–28 GPa and 773–2,273 K, and dry mantle compositions ranging from fertile (lherzolitic) to refractory (harzburgitic) end‐members define9d with a large data set of published mantle compositions. RocMLMs are 10 1 –10 3 times faster than GFEM calculations or GFEM‐based look‐up table approaches with equivalent accuracy. Depth profiles of RocMLMs predictions are nearly indistinguishable from reference models PREM and STW105, demonstrating good agreement between thermodynamic‐based predictions of density, Vp, and Vs and geophysical observations. RocMLMs are therefore capable, for the first time, of emulating dynamic evolution of density, Vp, and Vs due to partial melting and refertilization of dry mantle rocks in high‐resolution numerical geodynamic models.