{"title":"Stacking density estimation and its oversampling method for continuously imbalanced data in chemometrics","authors":"Xin-Ru Zhao , Lun-Zhao Yi , Guang-Hui Fu","doi":"10.1016/j.chemolab.2025.105366","DOIUrl":null,"url":null,"abstract":"<div><div>Continuously imbalanced data means that the target variable is continuous and its distribution is uneven. This kind of data is widespread in many practical application areas. However, methods to effectively handle continuously imbalanced data have been relatively scarce, and there is an urgent need to establish corresponding imbalance regression methods to enhance the capability of handling continuously imbalanced data. Firstly, we propose a Stacking-based density estimation (SDE) method to solve the density estimation problem of continuously imbalanced target variables. SDE links density estimation with the Ensemble learning algorithm called Stacking, and its core concept is the “fusion of multiple perspectives for accurate capture”. Performing SDE enhances the model’s understanding of complex data structures and makes it more sensitive and accurate in identifying rare values. Subsequently, we investigate an SDE-based oversampling technique (SDE-OS). SDE-OS uses SDE to synthesize new rare instances in the rare-value region, achieving fine-tuned customization of rare-value additions. In a series of numerical experiments, SDE has been estimated more accurately than the kernel density estimation method on ANLL. SDE-OS outperforms conventional sampling methods such as SMOGN and SMOTER in various metrics. Therefore, the proposed SDE and SDE-OS are highly competitive and effective tools for addressing the imbalanced regression problem.</div></div>","PeriodicalId":9774,"journal":{"name":"Chemometrics and Intelligent Laboratory Systems","volume":"261 ","pages":"Article 105366"},"PeriodicalIF":3.7000,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemometrics and Intelligent Laboratory Systems","FirstCategoryId":"94","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0169743925000516","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"AUTOMATION & CONTROL SYSTEMS","Score":null,"Total":0}
引用次数: 0
Abstract
Continuously imbalanced data means that the target variable is continuous and its distribution is uneven. This kind of data is widespread in many practical application areas. However, methods to effectively handle continuously imbalanced data have been relatively scarce, and there is an urgent need to establish corresponding imbalance regression methods to enhance the capability of handling continuously imbalanced data. Firstly, we propose a Stacking-based density estimation (SDE) method to solve the density estimation problem of continuously imbalanced target variables. SDE links density estimation with the Ensemble learning algorithm called Stacking, and its core concept is the “fusion of multiple perspectives for accurate capture”. Performing SDE enhances the model’s understanding of complex data structures and makes it more sensitive and accurate in identifying rare values. Subsequently, we investigate an SDE-based oversampling technique (SDE-OS). SDE-OS uses SDE to synthesize new rare instances in the rare-value region, achieving fine-tuned customization of rare-value additions. In a series of numerical experiments, SDE has been estimated more accurately than the kernel density estimation method on ANLL. SDE-OS outperforms conventional sampling methods such as SMOGN and SMOTER in various metrics. Therefore, the proposed SDE and SDE-OS are highly competitive and effective tools for addressing the imbalanced regression problem.
期刊介绍:
Chemometrics and Intelligent Laboratory Systems publishes original research papers, short communications, reviews, tutorials and Original Software Publications reporting on development of novel statistical, mathematical, or computer techniques in Chemistry and related disciplines.
Chemometrics is the chemical discipline that uses mathematical and statistical methods to design or select optimal procedures and experiments, and to provide maximum chemical information by analysing chemical data.
The journal deals with the following topics:
1) Development of new statistical, mathematical and chemometrical methods for Chemistry and related fields (Environmental Chemistry, Biochemistry, Toxicology, System Biology, -Omics, etc.)
2) Novel applications of chemometrics to all branches of Chemistry and related fields (typical domains of interest are: process data analysis, experimental design, data mining, signal processing, supervised modelling, decision making, robust statistics, mixture analysis, multivariate calibration etc.) Routine applications of established chemometrical techniques will not be considered.
3) Development of new software that provides novel tools or truly advances the use of chemometrical methods.
4) Well characterized data sets to test performance for the new methods and software.
The journal complies with International Committee of Medical Journal Editors'' Uniform requirements for manuscripts.