给编辑的信:对潘等人的《算法与土壤的对话:机器学习揭开土壤中邻苯二甲酸盐污染之谜》(2025)的评论

IF 10.6 1区 环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL Journal of Hazardous Materials Pub Date : 2025-08-05 Epub Date: 2025-04-22 DOI:10.1016/j.jhazmat.2025.138366
Souichi Oka, Yoshiyasu Takefuji
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引用次数: 0

摘要

Pan等人展示了他们的机器学习ML模型对土壤邻苯二甲酸酯PAE浓度的卓越预测性能,强调了SHapley加性解释(SHAP)评估的特征重要性的关键作用。值得注意的是,多层感知器(MLP)模型实现了最高的性能(R²= 0.8637),其次是SVR和XGBoost。然而,从这些模型及其SHAP解释中得出的特征重要性的可靠性仍然值得关注。具体来说,由于基于树、神经网络和基于核的方法存在固有偏差,预测精度并不能保证特征排名的有效性,而SHAP对模型输出的固有依赖又进一步加剧了这种偏差。为了减轻这些偏差,整合可靠的统计方法至关重要。诸如Spearman的rho, Kendall的tau, Goodman-Kruskal的gamma, Somers的delta和Hoeffding的依赖性等技术与p值分析相结合,提供了公正的评估。将这些统计方法与ML模型相结合,可以确保对环境风险建模中的特征重要性进行更可靠的评估。因此,未来的研究应该优先考虑将ML与严格的统计验证相结合的方法,以提高准确性并减少偏差。
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Comments on "Dialogue between algorithms and soil: Machine learning unravels the mystery of phthalates pollution in soil" by Pan et al. (2025)
Pan et al. demonstrated the superior predictive performance of their machine learning ML models for soil phthalate PAE concentrations, highlighting the critical role of feature importance as assessed by SHapley Additive exPlanations (SHAP). Notably, the Multilayer Perceptron (MLP) model achieved the highest performance (R² = 0.8637), followed by SVR and XGBoost. However, concerns persist regarding the reliability of feature importance derived from these models and their SHAP interpretations. Specifically, predictive accuracy does not guarantee the validity of feature rankings due to the inherent biases present in tree-based, neural network, and kernel-based methods, which are further exacerbated by SHAP's inherent dependency on model outputs. To mitigate these biases, integrating robust statistical methods is crucial. Techniques such as Spearman's rho, Kendall's tau, Goodman-Kruskal's gamma, Somers' delta, and Hoeffding's dependence, combined with p-value analysis, offer unbiased assessments. Integrating these statistical methods alongside ML models ensures a more reliable evaluation of feature importance in environmental risk modeling. Consequently, future research should prioritize methodologies that combine ML with rigorous statistical validation to enhance accuracy and reduce biases.
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来源期刊
Journal of Hazardous Materials
Journal of Hazardous Materials 工程技术-工程:环境
CiteScore
25.40
自引率
5.90%
发文量
3059
审稿时长
58 days
期刊介绍: The Journal of Hazardous Materials serves as a global platform for promoting cutting-edge research in the field of Environmental Science and Engineering. Our publication features a wide range of articles, including full-length research papers, review articles, and perspectives, with the aim of enhancing our understanding of the dangers and risks associated with various materials concerning public health and the environment. It is important to note that the term "environmental contaminants" refers specifically to substances that pose hazardous effects through contamination, while excluding those that do not have such impacts on the environment or human health. Moreover, we emphasize the distinction between wastes and hazardous materials in order to provide further clarity on the scope of the journal. We have a keen interest in exploring specific compounds and microbial agents that have adverse effects on the environment.
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