An urgent call for robust statistical methods in reliable feature importance analysis across machine learning

IF 6.5 1区 化学 Q2 CHEMISTRY, PHYSICAL
Yoshiyasu Takefuji
{"title":"An urgent call for robust statistical methods in reliable feature importance analysis across machine learning","authors":"Yoshiyasu Takefuji","doi":"10.1016/j.jcat.2025.116098","DOIUrl":null,"url":null,"abstract":"<div><div>Accurate analytical outcomes in machine learning are contingent on error-free calculations and a solid understanding of foundational principles. A notable challenge arises from the lack of ground truth values for validation, complicating the assessment of feature importance, especially when employing linear models with parametric assumptions. This paper critiques the use of Pearson correlation and feature importances derived from Gradient Boosting Regressor (GBR), emphasizing their limitations in analyzing nonlinear and nonparametric data. We propose robust statistical methods, such as Spearman’s correlation and Kendall’s tau, as alternatives for capturing complex relationships while providing essential directional information. Additionally, attention to Variance Inflation Factor (VIF) is crucial for mitigating feature inflation. By addressing these concerns, researchers can achieve more reliable analyses and deeper insight into variable relationships.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"446 ","pages":"Article 116098"},"PeriodicalIF":6.5000,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Catalysis","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0021951725001630","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

Abstract

Accurate analytical outcomes in machine learning are contingent on error-free calculations and a solid understanding of foundational principles. A notable challenge arises from the lack of ground truth values for validation, complicating the assessment of feature importance, especially when employing linear models with parametric assumptions. This paper critiques the use of Pearson correlation and feature importances derived from Gradient Boosting Regressor (GBR), emphasizing their limitations in analyzing nonlinear and nonparametric data. We propose robust statistical methods, such as Spearman’s correlation and Kendall’s tau, as alternatives for capturing complex relationships while providing essential directional information. Additionally, attention to Variance Inflation Factor (VIF) is crucial for mitigating feature inflation. By addressing these concerns, researchers can achieve more reliable analyses and deeper insight into variable relationships.

Abstract Image

Abstract Image

求助全文
约1分钟内获得全文 求助全文
来源期刊
Journal of Catalysis
Journal of Catalysis 工程技术-工程:化工
CiteScore
12.30
自引率
5.50%
发文量
447
审稿时长
31 days
期刊介绍: The Journal of Catalysis publishes scholarly articles on both heterogeneous and homogeneous catalysis, covering a wide range of chemical transformations. These include various types of catalysis, such as those mediated by photons, plasmons, and electrons. The focus of the studies is to understand the relationship between catalytic function and the underlying chemical properties of surfaces and metal complexes. The articles in the journal offer innovative concepts and explore the synthesis and kinetics of inorganic solids and homogeneous complexes. Furthermore, they discuss spectroscopic techniques for characterizing catalysts, investigate the interaction of probes and reacting species with catalysts, and employ theoretical methods. The research presented in the journal should have direct relevance to the field of catalytic processes, addressing either fundamental aspects or applications of catalysis.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信