Machine Learning in Environmental Research: Common Pitfalls and Best Practices.

Journal: Environmental science & technology
PMID:

Abstract

Machine learning (ML) is increasingly used in environmental research to process large data sets and decipher complex relationships between system variables. However, due to the lack of familiarity and methodological rigor, inadequate ML studies may lead to spurious conclusions. In this study, we synthesized literature analysis with our own experience and provided a tutorial-like compilation of common pitfalls along with best practice guidelines for environmental ML research. We identified more than 30 key items and provided evidence-based data analysis based on 148 highly cited research articles to exhibit the misconceptions of terminologies, proper sample size and feature size, data enrichment and feature selection, randomness assessment, data leakage management, data splitting, method selection and comparison, model optimization and evaluation, and model explainability and causality. By analyzing good examples on supervised learning and reference modeling paradigms, we hope to help researchers adopt more rigorous data preprocessing and model development standards for more accurate, robust, and practicable model uses in environmental research and applications.

Authors

  • Jun-Jie Zhu
    State Key Laboratory of Microbial Metabolism, Joint International Research Laboratory of Metabolic & Developmental Sciences, Department of Bioinformatics and Biostatistics, National Experimental Teaching Center for Life Sciences and Biotechnology, School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai 200240, China.
  • Meiqi Yang
    Department of Civil and Environmental Engineering and Andlinger Center for Energy and the Environment, Princeton University, Princeton, New Jersey 08544, United States.
  • Zhiyong Jason Ren
    Department of Civil and Environmental Engineering and Andlinger Center for Energy and the Environment, Princeton University, Princeton, New Jersey 08544, United States.