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This study applies uncertainty-guided active learning with deep ensembles to drastically reduce the computational cost of simulating wear fields in stream finishing processes. By selectively running expensive discrete element method simulations only where prediction error is highest, the framework achieves high fidelity while training on just 13% of feasible orientations. The approach demonstrates a practical application of machine learning for accelerating material science workflows through efficient surrogate modeling.
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Uncertainty-guided active learning for surrogate prediction of stream-finishing wear fields

arXiv3 min de cititArticolul și perspectiva sunt în engleză.

arXiv:2608.00593v1 Announce Type: cross Abstract: In stream finishing, the wear experienced by a workpiece depends strongly on its orientation within the rotating abrasive media. Determining suitable orientations to achieve uniform wear requires evaluating the wear-rate field over all feasible orientations. Although the discrete element method (DEM) accurately resolves particle interactions, simulating hundreds of feasible orientations for a new geometry is computationally expensive. We present an uncertainty-guided surrogate framework that predicts, directly from geometry, the three fields governing erosion: per-triangle normal impact velocity, tangential impact velocity, and particle impact flux. These fields are combined through the Finnie wear model to reconstruct the wear-rate distribution. The surrogate employs a deep ensemble whose disagreement estimates epistemic uncertainty, enabling an active-learning strategy that selectively performs DEM simulations for the most uncertain orientations. Trained using only $13\%$ of the $696$ feasible orientations, the surrogate achieves Spearman rank correlations of $0.93$, $0.89$, and $0.93$ for the normal impact velocity, tangential impact velocity, and particle impact flux, respectively. Moreover, the predicted uncertainty is well calibrated, reliably anticipating prediction error and the fidelity of the reconstructed wear field, which matches DEM with a Spearman rank correlation of up to $0.97$ for low-uncertainty orientations and degrades in a controlled manner as uncertainty increases.

Abstract:In stream finishing, the wear experienced by a workpiece depends strongly on its orientation within the rotating abrasive media. Determining suitable orientations to achieve uniform wear requires evaluating the wear-rate field over all feasible orientations. Although the discrete element method (DEM) accurately resolves particle interactions, simulating hundreds of feasible orientations for a new geometry is computationally expensive. We present an uncertainty-guided surrogate framework that predicts, directly from geometry, the three fields governing erosion: per-triangle normal impact velocity, tangential impact velocity, and particle impact flux. These fields are combined through the Finnie wear model to reconstruct the wear-rate distribution. The surrogate employs a deep ensemble whose disagreement estimates epistemic uncertainty, enabling an active-learning strategy that selectively performs DEM simulations for the most uncertain orientations. Trained using only $13\%$ of the $696$ feasible orientations, the surrogate achieves Spearman rank correlations of $0.93$, $0.89$, and $0.93$ for the normal impact velocity, tangential impact velocity, and particle impact flux, respectively. Moreover, the predicted uncertainty is well calibrated, reliably anticipating prediction error and the fidelity of the reconstructed wear field, which matches DEM with a Spearman rank correlation of up to $0.97$ for low-uncertainty orientations and degrades in a controlled manner as uncertainty increases.

Materials Science (cond-mat.mtrl-sci); Machine Learning (cs.LG); Data Analysis, Statistics and Probability (physics.data-an)

arXiv:2608.00593 [cond-mat.mtrl-sci]

(or arXiv:2608.00593v1 [cond-mat.mtrl-sci] for this version)

https://doi.org/10.48550/arXiv.2608.00593 Focus to learn more arXiv-issued DOI via DataCite (pending registration)

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