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arxiv 2404.11766 v2 pith:FO4HNAWT submitted 2024-04-17 cs.LG cs.NAmath.NAmath.OC

End-to-End Mesh Optimization of a Hybrid Deep Learning Black-Box PDE Solver

classification cs.LG cs.NAmath.NAmath.OC
keywords solverdeepmodellearningmeshparametersblack-boxend-to-end
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Deep learning has been widely applied to solve partial differential equations (PDEs) in computational fluid dynamics. Recent research proposed a PDE correction framework that leverages deep learning to correct the solution obtained by a PDE solver on a coarse mesh. However, end-to-end training of such a PDE correction model over both solver-dependent parameters such as mesh parameters and neural network parameters requires the PDE solver to support automatic differentiation through the iterative numerical process. Such a feature is not readily available in many existing solvers. In this study, we explore the feasibility of end-to-end training of a hybrid model with a black-box PDE solver and a deep learning model for fluid flow prediction. Specifically, we investigate a hybrid model that integrates a black-box PDE solver into a differentiable deep graph neural network. To train this model, we use a zeroth-order gradient estimator to differentiate the PDE solver via forward propagation. Although experiments show that the proposed approach based on zeroth-order gradient estimation underperforms the baseline that computes exact derivatives using automatic differentiation, our proposed method outperforms the baseline trained with a frozen input mesh to the solver. Moreover, with a simple warm-start on the neural network parameters, we show that models trained by these zeroth-order algorithms achieve an accelerated convergence and improved generalization performance.

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  1. Position: Zeroth-Order Optimization in Deep Learning Is Underexplored, Not Underpowered

    cs.LG 2026-05 unverdicted novelty 5.0

    Zeroth-order optimization is underexplored rather than underpowered in deep learning, with limitations stemming from full-space designs that can be addressed via subspace, spectral, and systems-aware approaches.