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Oct 28

$\oslash$ Source Models Leak What They Shouldn't $\nrightarrow$: Unlearning Zero-Shot Transfer in Domain Adaptation Through Adversarial Optimization

The increasing adaptation of vision models across domains, such as satellite imagery and medical scans, has raised an emerging privacy risk: models may inadvertently retain and leak sensitive source-domain specific information in the target domain. This creates a compelling use case for machine unlearning to protect the privacy of sensitive source-domain data. Among adaptation techniques, source-free domain adaptation (SFDA) calls for an urgent need for machine unlearning (MU), where the source data itself is protected, yet the source model exposed during adaptation encodes its influence. Our experiments reveal that existing SFDA methods exhibit strong zero-shot performance on source-exclusive classes in the target domain, indicating they inadvertently leak knowledge of these classes into the target domain, even when they are not represented in the target data. We identify and address this risk by proposing an MU setting called SCADA-UL: Unlearning Source-exclusive ClAsses in Domain Adaptation. Existing MU methods do not address this setting as they are not designed to handle data distribution shifts. We propose a new unlearning method, where an adversarially generated forget class sample is unlearned by the model during the domain adaptation process using a novel rescaled labeling strategy and adversarial optimization. We also extend our study to two variants: a continual version of this problem setting and to one where the specific source classes to be forgotten may be unknown. Alongside theoretical interpretations, our comprehensive empirical results show that our method consistently outperforms baselines in the proposed setting while achieving retraining-level unlearning performance on benchmark datasets. Our code is available at https://github.com/D-Arnav/SCADA

  • 4 authors
·
Apr 8

Omics-scale polymer computational database transferable to real-world artificial intelligence applications

Developing large-scale foundational datasets is a critical milestone in advancing artificial intelligence (AI)-driven scientific innovation. However, unlike AI-mature fields such as natural language processing, materials science, particularly polymer research, has significantly lagged in developing extensive open datasets. This lag is primarily due to the high costs of polymer synthesis and property measurements, along with the vastness and complexity of the chemical space. This study presents PolyOmics, an omics-scale computational database generated through fully automated molecular dynamics simulation pipelines that provide diverse physical properties for over 10^5 polymeric materials. The PolyOmics database is collaboratively developed by approximately 260 researchers from 48 institutions to bridge the gap between academia and industry. Machine learning models pretrained on PolyOmics can be efficiently fine-tuned for a wide range of real-world downstream tasks, even when only limited experimental data are available. Notably, the generalisation capability of these simulation-to-real transfer models improve significantly as the size of the PolyOmics database increases, exhibiting power-law scaling. The emergence of scaling laws supports the "more is better" principle, highlighting the significance of ultralarge-scale computational materials data for improving real-world prediction performance. This unprecedented omics-scale database reveals vast unexplored regions of polymer materials, providing a foundation for AI-driven polymer science.

  • 106 authors
·
Nov 7, 2025