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This research addresses a critical ambiguity in machine unlearning for materials science by introducing the "deletion floor" to distinguish between genuine model forgetting and mere retraining effects. The study demonstrates that retained structural redundancy can sustain prediction accuracy even after record removal, necessitating new evaluation metrics that account for baseline retraining loss rather than just post-deletion error. These findings provide a rigorous theoretical framework for assessing data privacy and utility in scientific machine learning workflows.
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Bounding Retraining Equivalence and the Deletion Floor in Materials Machine Unlearning

arXiv2 min read

arXiv:2609.35635v1 Announce Type: new Abstract: In materials machine learning, closely related retained structures can sustain accurate property predictions even after removing a specific record, rendering post-deletion prediction error an ambiguous metric for machine unlearning. To resolve this ambiguity, we define the deletion floor as the expected target loss under a specified retraining procedure at the deleted request. Standard indistinguishability constraints yield a sharp interval bounding an update's target loss around this baseline reference. Theoretically, a conditional neighbor bound links a low deletion floor directly to retained fit, prediction regularity, and local label agreement, while an exact ridge identity isolates residual fit from the prediction change induced by record deletion. Empirically, controlled redundancy sweeps show an $\approx 8\times$ drop in median normalized retraining loss when one retained relative remains after deletion. Across two distinct fitting regimes in a paired Materials Project study, the lower-floor regime also exhibits a larger prediction change on more than 50% of the shared requests. Systematic comparisons against approximate updates and the original model decouple deliberate target suppression from preserved overall model utility. Consequently, request-level unlearning evaluations should report reference loss, prediction change, and retained utility together, interpreting post-deletion accuracy against what retraining itself leaves behind.

Abstract:In materials machine learning, closely related retained structures can sustain accurate property predictions even after removing a specific record, rendering post-deletion prediction error an ambiguous metric for machine unlearning. To resolve this ambiguity, we define the deletion floor as the expected target loss under a specified retraining procedure at the deleted request. Standard indistinguishability constraints yield a sharp interval bounding an update's target loss around this baseline reference. Theoretically, a conditional neighbor bound links a low deletion floor directly to retained fit, prediction regularity, and local label agreement, while an exact ridge identity isolates residual fit from the prediction change induced by record deletion. Empirically, controlled redundancy sweeps show an $\approx 8\times$ drop in median normalized retraining loss when one retained relative remains after deletion. Across two distinct fitting regimes in a paired Materials Project study, the lower-floor regime also exhibits a larger prediction change on more than 50% of the shared requests. Systematic comparisons against approximate updates and the original model decouple deliberate target suppression from preserved overall model utility. Consequently, request-level unlearning evaluations should report reference loss, prediction change, and retained utility together, interpreting post-deletion accuracy against what retraining itself leaves behind.

Machine Learning (cs.LG); Materials Science (cond-mat.mtrl-sci); Quantum Physics (quant-ph)

arXiv:2609.35635 [cs.LG]

(or arXiv:2609.35635v1 [cs.LG] for this version)

https://doi.org/10.48550/arXiv.2609.35635 Focus to learn more arXiv-issued DOI via DataCite (pending registration)

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Full text under the publisher's open licence · 294 words

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