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

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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
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article

How to overfit

Rasmus Bro
1 citations
Chemometrics and Intelligent Laboratory Systems
Quality and Safety in Healthcare
3.53
article

How to overfit

Rasmus Bro
article en
1 citations

Abstract

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

Chemometrics and Intelligent Laboratory SystemsVol. 264
University of Copenhagen (DK), Copenhagen Business School (DK), Frederiksberg Hospital (DK)
Openalex Percentile: Top 8%
Quality and Safety in Healthcare
3.53
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