REFORMS: Consensus-based Recommendations for Machine-learning-based Science.

Machine learning (ML) methods are proliferating in scientific research. However, the adoption of these methods has been accompanied by failures of validity, reproducibility, and generalizability. These failures can hinder scientific progress, lead to false consensus around invalid claims, and undermine the credibility of ML-based science. ML methods are often applied and fail in similar ways across disciplines. Motivated by this observation, our goal is to provide clear recommendations for conducting and reporting ML-based science. Drawing from an extensive review of past literature, we present the REFORMS checklist (recommendations for machine-learning-based science). It consists of 32 questions and a paired set of guidelines. REFORMS was developed on the basis of a consensus of 19 researchers across computer science, data science, mathematics, social sciences, and biomedical sciences. REFORMS can serve as a resource for researchers when designing and implementing a study, for referees when reviewing papers, and for journals when enforcing standards for transparency and reproducibility.

Leakage and the reproducibility crisis in machine-learning-based science.

Machine-learning (ML) methods have gained prominence in the quantitative sciences. However, there are many known methodological pitfalls, including data leakage, in ML-based science. We systematically investigate reproducibility issues in ML-based science. Through a survey of literature in fields that have adopted ML methods, we find 17 fields where leakage has been found, collectively affecting 294 papers and, in some cases, leading to wildly overoptimistic conclusions. Based on our survey, we introduce a detailed taxonomy of eight types of leakage, ranging from textbook errors to open research problems. We propose that researchers test for each type of leakage by filling out model info sheets, which we introduce. Finally, we conduct a reproducibility study of civil war prediction, where complex ML models are believed to vastly outperform traditional statistical models such as logistic regression (LR). When the errors are corrected, complex ML models do not perform substantively better than decades-old LR models.