Machine learning approaches to predict the photocatalytic performance of bismuth ferrite-based materials in the removal of malachite green

Zeeshan Haider Jaffari, Ather Abbas, Sze Mun Lam, Sanghun Park, Kangmin Chon, Eun Sik Kim*, Kyung Hwa Cho*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

47 Scopus citations


This study focuses on the potential capability of numerous machine learning models, namely CatBoost, GradientBoosting, HistGradientBoosting, ExtraTrees, XGBoost, DecisionTree, Bagging, light gradient boosting machine (LGBM), GaussianProcess, artificial neural network (ANN), and light long short-term memory (LightLSTM). These models were investigated to predict the photocatalytic degradation of malachite green from wastewater using various NM-BiFeO3 composites. A comprehensive databank of 1200 data points was generated under various experimental conditions. The ten input variables selected were the catalyst type, reaction time, light intensity, initial concentration, catalyst loading, solution pH, humic acid concentration, anions, surface area, and pore volume of various photocatalysts. The MG dye degradation efficiency was selected as the output variable. An evaluation of the performance metrics suggested that the CatBoost model, with the highest test coefficient of determination (0.99) and lowest mean absolute error (0.64) and root-mean-square error (1.34), outperformed all other models. The CatBoost model showed that the photocatalytic reaction conditions were more important than the material properties. The modeling results suggested that the optimized process conditions were a light intensity of 105 W, catalyst loading of 1.5 g/L, initial MG dye concentration of 5 mg/L and solution pH of 7. Finally, the implications and drawbacks of the current study were stated in detail.

Original languageEnglish (US)
Article number130031
JournalJournal of hazardous materials
StatePublished - Jan 15 2023

Bibliographical note

Funding Information:
This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) [No. 2020R1A4A1019568 and No. 2022R1A2C2006172 ].

Publisher Copyright:
© 2022 Elsevier B.V.


  • CatBoost
  • Machine learning
  • Malachite green
  • Modeling
  • Photocatalysis

ASJC Scopus subject areas

  • Environmental Engineering
  • Environmental Chemistry
  • Waste Management and Disposal
  • Pollution
  • Health, Toxicology and Mutagenesis


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