Data-driven linear solver selection and performance tuning for multiphysics simulations in porous media

Modeling multiphysics processes in porous media requires preconditioned iterative linear solvers to enable efficient simulations at industry-relevant scales. These solvers are typically composed of sub-algorithms that target individual physical processes. Various options are available for each algorithm, with the corresponding ranges of numerical parameters. The choices of sub-algorithms and their parameters significantly affect simulation performance and robustness. Optimizing these choices for each simulation is challenging due to the vast number of possible combinations. Moreover, optimization relies on performance data from past simulations, which becomes less representative as the simulation setup changes. This paper addresses the problem of automated selection and tuning of preconditioned linear solvers for multiphysics simulations, targeting a scenario where numerous linear systems of similar structure must be solved successively, generated by a single discretized set of equations. The proposed solver selection algorithm collects performance data during the run of the target simulation and continuously updates a machine learning model responsible for solver selection, resulting in an adaptively refined selection policy. The algorithm is evaluated on two time-dependent nonlinear model problems: (i) coupled fluid flow and heat transfer in porous media and (ii) thermo-poromechanics in porous media with fractures, governed by frictional contact mechanics. These experiments demonstrate that the algorithm selects efficient and robust solvers with negligible overhead and performs comparably to a reference selection policy that has full access to the performance data of prior simulations. Our results indicate that the proposed approach effectively addresses the challenge of solver selection and tuning, providing particular value to simulation engineers and researchers, especially when expert knowledge on linear solver tuning is not readily available.