Rejections Based on Predictive Uncertainty Enable Reliable Routine Soil Spectroscopy
For soil science practitioners, this framework enables cost-effective integration of spectroscopy into routine workflows without sacrificing reliability.
The paper introduces a reject-to-remeasure framework combining probabilistic modeling with uncertainty-guided rejection to make soil spectroscopy reliable for routine use. On a Québec soil library, it reduces measurement costs while meeting user-defined accuracy requirements.
Soil properties relevant to agricultural and environmental applications are conventionally measured using elaborate laboratory methods involving physical and chemical processing. While highly accurate, these conventional methods are costly and time-consuming. In contrast, optical spectroscopy paired with machine learning enables rapid and cost-effective predictions of multiple soil properties. However, spectroscopic modelling is often considered unreliable, as the predictive accuracy varies between soil properties and individual samples. To balance this trade-off between cost and reliability, we introduce reject-to-remeasure: an AI-based measurement framework that combines probabilistic modelling with uncertainty-guided rejection. In this framework, soil samples are first analysed using spectroscopy, after which predictions are rejected if their predictive uncertainty exceeds predefined quality constraints. Rejected samples are subsequently remeasured using conventional laboratory procedures. On a regional visible-near-infrared spectral soil library from Québec, we demonstrate that reject-to-remeasure with modern foundation models (TabPFNv2.5 and TabICLv2) can facilitate the integration of optical spectroscopy into routine laboratory workflows while meeting user-defined accuracy requirements and reducing measurement costs.