arXiv:2509.02606q-bio.QMcs.LG2025-09被引 2

用拉曼光谱实时预测细胞培养代谢物,解决小样本下的模型适应难题。

Lessons Learned from Deploying Adaptive Machine Learning Agents with Limited Data for Real-time Cell Culture Process Monitoring

  • 对比预训练、即时学习和在线学习三种方法在有限数据下的表现。
  • 预训练模型在稳定条件下更准,动态变化时需即时或在线学习。
  • 定期更新离线测量数据可保持模型长期有效性,适合工业应用。

本研究探讨了三种机器学习方法在实时预测细胞培养过程中葡萄糖、乳酸和氨浓度的应用,输入为拉曼光谱特征。针对数据量少和工艺波动的挑战,比较了预训练模型、即时学习(JITL)与在线学习算法。通过两个工业案例分析不同生物工艺条件对模型性能的影响。结果表明,预训练模型在稳定条件下预测更准确,而工艺动态变化时,JITL或在线学习更有效。研究强调在生物反应器运行期间,必须使用最新的离线分析数据更新部署模型,以应对细胞生长行为和操作条件的变化。此外,简单的专家混合框架能显著提升基于拉曼光谱的代谢物浓度预测精度与鲁棒性。这些发现有助于在动态生物制造环境中高效部署可靠机器学习模型。

原文摘要 · Abstract (English)

This study explores the deployment of three machine learning (ML) approaches for real-time prediction of glucose, lactate, and ammonium concentrations in cell culture processes, using Raman spectroscopy as input features. The research addresses challenges associated with limited data availability and process variability, providing a comparative analysis of pretrained models, just-in-time learning (JITL), and online learning algorithms. Two industrial case studies are presented to evaluate the impact of varying bioprocess conditions on model performance. The findings highlight the specific conditions under which pretrained models demonstrate superior predictive accuracy and identify scenarios where JITL or online learning approaches are more effective for adaptive process monitoring. This study also highlights the critical importance of updating the deployed models/agents with the latest offline analytical measurements during bioreactor operations to maintain the model performance against the changes in cell growth behaviours and operating conditions throughout the bioreactor run. Additionally, the study confirms the usefulness of a simple mixture-of-experts framework in achieving enhanced accuracy and robustness for real-time predictions of metabolite concentrations based on Raman spectral data. These insights contribute to the development of robust strategies for the efficient deployment of ML models in dynamic and changing biomanufacturing environments.

机器学习生物制造实时监测拉曼光谱

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