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Atompack: A Storage and Distribution Layer for Read-Heavy Atomistic ML Training Datasets

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Atomistic machine learning datasets are increasingly used for training: large immutable snapshots are read repeatedly, shuffled across epochs, staged across clusters' storage systems, and republished as reusable scientific artifacts. This workload differs from interactive scientific curation, where mutable records and ad hoc inspection are often more important than random indexed throughput.

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arXiv Machine Learning
Jun 30

Atompack: A Storage and Distribution Layer for Read-Heavy Atomistic ML Training Datasets

arXiv:2606. 29975v1 Announce Type: new Abstract: Atomistic machine learning datasets are increasingly used for training: large immutable snapshots are read repeatedly, shuffled across epochs, staged across clusters' storage systems, and republished as reusable scientific artifacts.

By Ali Ramlaoui, Daniel T. Speckhard, Sagar Pal, Fragkiskos D. Malliaros, Alexandre Duval, Victor Schmidt