Active learning in nanoparticles: Expected Improvement picks 10 experiments per iteration

Set the GP nugget to measured replicate variance from 3 replicates, not 1e-6, and let Expected Improvement choose 10 nanoparticle experiments per iteration. Independent technical note mirroring the canonical version: https://nano-matter.com/blog/active-learning-in-nanoparticles-expected-improvement-picks-10-experiments-per-iteration.php

Authors

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-11-06
DOI
https://doi.org/10.5281/zenodo.24028770
Primary Topic
Machine Learning in Materials Science
Type
preprint
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preprint

Active learning in nanoparticles: Expected Improvement picks 10 experiments per iteration

Brody Caldwell
Zenodo (CERN European Organization for Nuclear Research)
Machine Learning in Materials Science
preprint

Active learning in nanoparticles: Expected Improvement picks 10 experiments per iteration

Brody Caldwell
preprint en

Abstract

Set the GP nugget to measured replicate variance from 3 replicates, not 1e-6, and let Expected Improvement choose 10 nanoparticle experiments per iteration. Independent technical note mirroring the canonical version: https://nano-matter.com/blog/active-learning-in-nanoparticles-expected-improvement-picks-10-experiments-per-iteration.php

Zenodo (CERN European Organization for Nuclear Research)
Machine Learning in Materials Science
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