{"title":"Moisture content prediction in durian husk biomass via near infrared spectroscopy coupled with aquaphotomics and explainable machine learning","authors":"Zenisha Shrestha , Bijendra Shrestha , Panmanas Sirisomboon , Umed Kumar Pun , Tri Ratna Bajracharya , Bim Prasad Shrestha , Pimpen Pornchaloempong","doi":"10.1016/j.chemolab.2025.105538","DOIUrl":null,"url":null,"abstract":"<div><div>Accurate determination of moisture content is essential for energy efficiency and biomass management for fuel materials such as durian husk. Traditional methods of determining biomass moisture content are time-consuming and require specialized expertise, posing challenges for continuous monitoring. To address this limitation, this study applies Near Infrared Spectroscopy (NIRS) combined with machine learning models to rapidly and accurately assess moisture content. Both linear Partial Least Squares Regression (PLSR) and non-linear approaches were used, including Support Vector Machines (SVM), Artificial Neural Networks (ANN), and Extreme Gradient Boosting (XGB). The application of preprocessing techniques, notably the Savitzky-Golay second derivative (SD) and Standard Normal Variate (SNV), significantly augmented the predictive performance, highlighting the importance of data preprocessing in spectral analysis. Synthetic spectral augmentation using Gaussian noise revealed that while SVM and ANN exhibited near-perfect performance, SVM demonstrated quantifiable reliability. This study also demonstrates SVM as the most sensitive and reliable method for detecting and quantifying moisture content in durian husk. This research contributes novel insights to biomass analysis, highlighting the benefits of integrating NIRS and feasibility of explainable machine learning techniques to identify water related spectral parameters to advance aquaphotomics, thereby advancing rapid and accurate biomass characterization.</div></div>","PeriodicalId":9774,"journal":{"name":"Chemometrics and Intelligent Laboratory Systems","volume":"267 ","pages":"Article 105538"},"PeriodicalIF":3.8000,"publicationDate":"2025-09-18","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/S0169743925002230","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
Accurate determination of moisture content is essential for energy efficiency and biomass management for fuel materials such as durian husk. Traditional methods of determining biomass moisture content are time-consuming and require specialized expertise, posing challenges for continuous monitoring. To address this limitation, this study applies Near Infrared Spectroscopy (NIRS) combined with machine learning models to rapidly and accurately assess moisture content. Both linear Partial Least Squares Regression (PLSR) and non-linear approaches were used, including Support Vector Machines (SVM), Artificial Neural Networks (ANN), and Extreme Gradient Boosting (XGB). The application of preprocessing techniques, notably the Savitzky-Golay second derivative (SD) and Standard Normal Variate (SNV), significantly augmented the predictive performance, highlighting the importance of data preprocessing in spectral analysis. Synthetic spectral augmentation using Gaussian noise revealed that while SVM and ANN exhibited near-perfect performance, SVM demonstrated quantifiable reliability. This study also demonstrates SVM as the most sensitive and reliable method for detecting and quantifying moisture content in durian husk. This research contributes novel insights to biomass analysis, highlighting the benefits of integrating NIRS and feasibility of explainable machine learning techniques to identify water related spectral parameters to advance aquaphotomics, thereby advancing rapid and accurate biomass characterization.
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.