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This research evaluates adaptive training strategies for Physics-Informed Neural Networks (PINNs) applied to complex crystal growth simulations, highlighting a critical trade-off where optimizing PDE residuals can inadvertently degrade boundary condition adherence. The study demonstrates that relying solely on weighted total loss is insufficient and advocates for separate metric evaluation to ensure physical constraints remain satisfied during machine learning optimization.
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Component-Level Evaluation of Adaptive PINN Training for CFD-Oriented Crystal Growth Simulation

arXiv2 min read

arXiv:2610.05127v1 Announce Type: new Abstract: Physics-informed neural network (PINN) training minimizes a weighted combination of partial differential equation (PDE), boundary-condition, and initial-condition losses. Because adaptive methods modify these weights during training, their weighted total losses are not always directly comparable. We compare fixed-weight PINN, gradient-normalized PINN (GNPINN), and a rule-based adaptive controller (AgenticPINN) under matched settings on a heat-equation benchmark and a simplified Czochralski-oriented thermal-fluid problem. In the crystal-growth MLP experiment, adaptive control reduced the PDE residual from the order of $10^{-5}$ to $10^{-6}$, while the boundary-condition loss increased from the order of $10^{-5}$ to $10^{-2}$. On the heat-equation benchmark, GNPINN achieved the lowest relative $L_2$ field error (0.054), whereas AgenticPINN obtained the smallest PDE residual but a relative $L_2$ error of 1.368. Gaussian-process surrogates were additionally evaluated using case-wise holdout tests on corrected Czochralski CFD parameter sweeps. The temperature-field error for the temperature sweep was approximately 6%, whereas the axial-velocity error for the crystal-rotation sweep was approximately 42%. These findings show that adaptive control can improve equation satisfaction while weakening other physical constraints. PINN training should therefore be evaluated using separate PDE, boundary-condition, and solution-error metrics rather than weighted total loss alone.

Abstract:Physics-informed neural network (PINN) training minimizes a weighted combination of partial differential equation (PDE), boundary-condition, and initial-condition losses. Because adaptive methods modify these weights during training, their weighted total losses are not always directly comparable. We compare fixed-weight PINN, gradient-normalized PINN (GNPINN), and a rule-based adaptive controller (AgenticPINN) under matched settings on a heat-equation benchmark and a simplified Czochralski-oriented thermal-fluid problem. In the crystal-growth MLP experiment, adaptive control reduced the PDE residual from the order of $10^{-5}$ to $10^{-6}$, while the boundary-condition loss increased from the order of $10^{-5}$ to $10^{-2}$. On the heat-equation benchmark, GNPINN achieved the lowest relative $L_2$ field error (0.054), whereas AgenticPINN obtained the smallest PDE residual but a relative $L_2$ error of 1.368. Gaussian-process surrogates were additionally evaluated using case-wise holdout tests on corrected Czochralski CFD parameter sweeps. The temperature-field error for the temperature sweep was approximately 6%, whereas the axial-velocity error for the crystal-rotation sweep was approximately 42%. These findings show that adaptive control can improve equation satisfaction while weakening other physical constraints. PINN training should therefore be evaluated using separate PDE, boundary-condition, and solution-error metrics rather than weighted total loss alone.

Machine Learning (cs.LG)

arXiv:2610.05127 [cs.LG]

(or arXiv:2610.05127v1 [cs.LG] for this version)

https://doi.org/10.48550/arXiv.2610.05127 Focus to learn more arXiv-issued DOI via DataCite (pending registration)

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Full text under the publisher's open licence · 282 words

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