Overall
- Language
- English
- Conflict of Interest
- In relation to this article, we declare that there is no conflict of interest.
- Publication history
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Received May 5, 2025
Revised July 8, 2025
Accepted August 13, 2025
Available online December 25, 2025
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This is an Open-Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/bync/3.0) which permits
unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.
Most Cited
A Variance‑Weighted Curvature Criterion for Sequential Experimental Design
https://doi.org/10.1007/s11814-025-00543-9
Abstract
We present a novel sequential experimental design framework that combines the interpretability of classical response surface
methodology with the adaptability of Bayesian optimization. At each iteration, a second-order polynomial surrogate model
is refitted and the next experiment is selected using a variance-weighted curvature (VWC) acquisition function that targets
locations where the surrogate is uncertain and/or strongly curved. Sampling in these information-rich regions can improve
global model fidelity while still revealing optima. Through three benchmark problems—including a five-dimensional sparse
quadratic and a non-quadratic surface—the VWC criterion achieves one to three orders of magnitude lower prediction error
than Gaussian process-based Bayesian optimization while requiring significantly less computation. The proposed framework
is fast, interpretable, and readily scalable, making it well suited to data-intensive experimentation in chemical engineering
and related fields.

