arXiv:2606.21179cs.LG2026-06被引 1

用不确定性拒绝机制让光谱法测土壤更可靠且省钱

Rejections Based on Predictive Uncertainty Enable Reliable Routine Soil Spectroscopy

论文配图:Rejections Based on Predictive Uncertainty Enable Reliable Routine Soil Spectroscopy
图 1 · 摘自论文原文
  • 根据预测不确定度自动拒绝低信度样本,再用实验室复测
  • 在魁北克数据集上实现高精度与成本降低的平衡
  • 适合需要稳定土壤检测结果的农业/环境研究者

与农业和环境应用相关的土壤属性通常通过复杂的实验室方法测定,涉及物理和化学处理。虽然准确度高,但成本高昂且耗时。相比之下,结合机器学习的光学光谱法可快速、低成本地预测多种土壤属性。然而,光谱建模常被认为不可靠,因预测精度在不同土壤属性和样本间差异大。为平衡成本与可靠性,我们提出“拒绝重测”:一种基于概率建模与不确定性引导拒绝的AI测量框架。土壤样本先通过光谱分析,若预测不确定性超过预设质量阈值则被拒绝,随后用传统实验室方法复测。在魁北克地区的可见-近红外光谱土壤库上,使用现代基础模型(TabPFNv2.5 和 TabICLv2)证明,该框架可在满足用户定义精度要求的同时,将光谱法融入常规实验室流程,并显著降低测量成本。

原文摘要 · Abstract (English)

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.

土壤光谱不确定性人工智能成本优化

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