Fernandez Luis, Oller-Moreno Sergio, Fonollosa Jordi, Garrido-Delgado Rocío, Arce Lourdes, Martín-Gómez Andrés, Marco Santiago, Pardo Antonio
Department of Electronics and Biomedical Engineering, Universitat de Barcelona, 08028 Barcelona, Spain.
Institute for Bioengineering of Catalonia (IBEC), The Barcelona Institute of Science and Technology, 08028 Barcelona, Spain.
Sensors (Basel). 2025 Jan 25;25(3):737. doi: 10.3390/s25030737.
Gas sensor-based electronic noses (e-noses) have gained considerable attention over the past thirty years, leading to the publication of numerous research studies focused on both the development of these instruments and their various applications. Nonetheless, the limited specificity of gas sensors, along with the common requirement for chemical identification, has led to the adaptation and incorporation of analytical chemistry instruments into the e-nose framework. Although instrument-based e-noses exhibit greater specificity to gasses than traditional ones, they still produce data that require correction in order to build reliable predictive models. In this work, we introduce the use of a multivariate signal processing workflow for datasets from a multi-capillary column ion mobility spectrometer-based e-nose. Adhering to the electronic nose philosophy, these workflows prioritized untargeted approaches, avoiding dependence on traditional peak integration techniques. A comprehensive validation process demonstrates that the application of this preprocessing strategy not only mitigates overfitting but also produces parsimonious models, where classification accuracy is maintained with simpler, more interpretable structures. This reduction in model complexity offers significant advantages, providing more efficient and robust models without compromising predictive performance. This strategy was successfully tested on an olive oil dataset, showcasing its capability to improve model parsimony and generalization performance.
在过去三十年中,基于气体传感器的电子鼻(e-noses)受到了广泛关注,引发了众多专注于这些仪器开发及其各种应用的研究报告的发表。尽管如此,气体传感器的特异性有限,以及化学识别的普遍要求,导致分析化学仪器被改编并纳入电子鼻框架。虽然基于仪器的电子鼻对气体的特异性比传统电子鼻更高,但它们仍然会产生需要校正的数据,以便构建可靠的预测模型。在这项工作中,我们介绍了一种多元信号处理工作流程,用于处理基于多毛细管柱离子迁移谱仪的电子鼻数据集。遵循电子鼻理念,这些工作流程优先采用非靶向方法,避免依赖传统的峰积分技术。全面的验证过程表明,这种预处理策略的应用不仅减轻了过拟合,还产生了简约模型,在保持分类准确性的同时具有更简单、更易于解释的结构。模型复杂性的降低具有显著优势,能够提供更高效、更稳健的模型,同时不影响预测性能。该策略在橄榄油数据集上成功进行了测试,展示了其提高模型简约性和泛化性能的能力。