通过过器学习进行校准转移
Zhonghao Xie1, Xiaojing Chen1, Jean-Michel Roger2
1College of Electrical and Electronic Engineering, Wenzhou University, Wenzhou, 325035, PR China.
Analytica chimica acta
|March 10, 2024
概括
本研究引入了一种新的校准转移方法,只使用一个参考样本,简化和加快了这个过程. 该方法还提供了一个无监督的替代方案,使校准转移在分析化学中更有效.
科学领域:
- 分析化学 分析化学
- 频谱学是一种光谱学.
- 化学测量 化学测量 化学测量
背景情况:
- 在分析化学中,校准转移至关重要,以防止完全重新校准.
- 现有的方法,如分片直接标准化和动态直角投影,需要多个参考样本.
- 减少参考样本的数量是提高校准转移效率的关键.
研究的目的:
- 开发一种新的校准转移方法,需要最小的参考样本.
- 为了使有效的校准从主仪器 (源域) 到奴隶仪器 (目标域) 的传输.
- 为校准转移提供无监督的方法,消除了对目标域标签的需求.
主要方法:
- 使用来自主仪器的校准数据库和来自奴隶仪器的单个频谱.
- 使用多变量高斯核生成目标频谱的源域对应物.
- 训练一个过器来调整主和奴隶仪器的响应函数.
- 实施一个不受监督的策略,以避免目标域名标签.
主要成果:
- 拟议的方法成功地将校准转移到仅使用一个参考样本的校准.
- 在模拟和两个真实世界数据集上证明了有效性.
- 性能优于几种最先进的校准转移方法.
结论:
- 新方法通过只需要一个参考样本来简化和加快校准转移.
- 提供了一个可行的无监督校准转移替代方案.
- 为实际的校准转移应用提供了一个有希望和高效的工具.
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