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

Year: 2026

Type: preprint

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

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.24028770

Author: Caldwell, Brody

Language: English

Topic: Machine Learning in Materials Science

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W7225462303

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Related to: 10