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arXiv 提交日期: 2026-06-17
📄 Abstract - A Human-in-the-Loop Bayesian Optimization Framework for Constraint-Aware Bioprocess Development

This work presents an extension to Pareto Front Guided Sampling (PFGS), a Human-in-the-Loop (HitL) Bayesian Optimization (BO) framework in which Gaussian process (GP) surrogate-derived quantities are reformulated as objectives of a multi-objective optimization problem, and the resulting Pareto front is exposed to a domain expert for interactive candidate selection rather than returning a single automated recommendation. The framework is extended in two directions: constrained optimization is addressed by incorporating the posterior probability of satisfying output specification limits as an explicit Pareto objective, computed analytically from the GP posterior distribution; robust optimization is addressed by a Monte Carlo sampling strategy that estimates expected lower-confidence performance over a user-defined variability of input perturbations, capturing performance degradation under likely implementation deviations. The resulting multi-dimensional Pareto representation renders trade-offs between predicted performance, model uncertainty, probabilistic constraint satisfaction, and input robustness simultaneously visible through pairwise two-dimensional projections on an interactive dashboard, enabling selection criteria to be iteratively refined as the surrogate model improves and development objectives evolve. The framework is showcased on an eight-dimensional fed-batch Chinese Hamster Ovary (CHO) cell culture simulator demonstrating systematic identification of high-performing, feasibility-compliant, and perturbation-resilient operating conditions, and illustrating how expert-defined requirements provide a principled stopping criterion and support informed allocation of experimental resources.

顶级标签: machine learning systems biology
详细标签: bayesian optimization human-in-the-loop constraint-aware bioprocess optimization gaussian process 或 搜索:

一种面向约束感知的生物工艺开发的人机协同贝叶斯优化框架 / A Human-in-the-Loop Bayesian Optimization Framework for Constraint-Aware Bioprocess Development


1️⃣ 一句话总结

本文提出了一种改进的贝叶斯优化方法,通过将工艺的预测性能、模型不确定性、约束满足概率和输入鲁棒性同时转化为多目标优化问题,并以交互式仪表盘向专家展示各目标间的权衡关系,让专家根据可视化结果动态选择实验点,从而在生物工艺开发中高效、系统地找到既满足性能要求、又对扰动稳健的高质量操作条件。

源自 arXiv: 2606.19230