How to overfit
Overfitting remains a central challenge in modern data science, particularly as complex analytical tools become more accessible and widely applied in fields like chemometrics. This communication outlines a series of common pitfalls that lead to misleading and non-generalizable models – ranging from poor data quality and insufficient sample sizes to misuse of validation strategies and overly complex modeling choices. By illustrating a caricatured protocol for generating bad models, the paper emphasizes the importance of domain knowledge, appropriate experimental design, and rigorous validation. It advocates for "validity by design" as a proactive strategy to ensure robust, interpretable, and scientifically sound results. • Identifies key pitfalls that commonly lead to overfitted data models • Illustrates a caricature protocol for constructing misleading models • Emphasizes the role of data quality, sampling, and model complexity • Shows how poor validation practices enable overfitting and false claims • Advocates for “validity by design” as a proactive strategy against overfitting
Authors
- Rasmus Bro (ORCID: https://orcid.org/0000-0002-7641-4854)
Institutions
- University of Copenhagen (DK)
- Copenhagen Business School (DK)
- Frederiksberg Hospital (DK)
Publication Details
- Journal
- Chemometrics and Intelligent Laboratory Systems
- Published
- 2025-06-11
- DOI
- https://doi.org/10.1016/j.chemolab.2025.105461
- Citations
- 1
- Primary Topic
- Quality and Safety in Healthcare
- Type
- article
- Field-Weighted Citation Impact
- 3.53