Xiong Yinran, Wang Peng, Li Hongli, Tang Jie, Chen Yuncan, Zhu Lijun, Du Yiping
Biological Science Research Center, Southwest University, Chongqing, 400715, China; Chongqing Key Laboratory of Scientific Utilization of Tobacco Resources, Chongqing, 400060, China.
Chongqing Key Laboratory of Scientific Utilization of Tobacco Resources, Chongqing, 400060, China.
Talanta. 2024 Nov 1;279:126595. doi: 10.1016/j.talanta.2024.126595. Epub 2024 Jul 22.
Multivariate calibration models often encounter challenges in extrapolating beyond the calibration instruments due to variations in hardware configurations, signal processing algorithms, or environmental conditions. Calibration transfer techniques have been developed to mitigate this issue. In this study, we introduce a novel methodology known as Supervised Factor Analysis Transfer (SFAT) aimed at achieving robust and interpretable calibration transfer. SFAT operates from a probabilistic framework and integrates response variables into its transfer process to effectively align data from the target instrument to that of the source instrument. Within the SFAT model, the data from the source instrument, the target instrument, and the response variables are collectively projected onto a shared set of latent variables. These latent variables serve as the conduit for information transfer between the three distinct domains, thereby facilitating effective spectra transfer. Moreover, SFAT explicitly models the noise variances associated with each variable, thereby minimizing the transfer of non-informative noise. Furthermore, we provide empirical evidence showcasing the efficacy of SFAT across three real-world datasets, demonstrating its superior performance in calibration transfer scenarios.
由于硬件配置、信号处理算法或环境条件的差异,多变量校准模型在超出校准仪器范围进行外推时常常遇到挑战。校准转移技术已被开发出来以缓解这一问题。在本研究中,我们引入了一种称为监督因子分析转移(SFAT)的新方法,旨在实现稳健且可解释的校准转移。SFAT从概率框架出发,将响应变量整合到其转移过程中,以有效地将目标仪器的数据与源仪器的数据对齐。在SFAT模型中,来自源仪器、目标仪器和响应变量的数据共同投影到一组共享的潜在变量上。这些潜在变量充当三个不同域之间信息传递的渠道,从而促进有效的光谱转移。此外,SFAT明确地对与每个变量相关的噪声方差进行建模,从而最大限度地减少无信息噪声的转移。此外,我们提供了实证证据,展示了SFAT在三个真实世界数据集上的有效性,证明了其在校准转移场景中的卓越性能。