A Grammar of Machine Learning Workflows: Rejecting Data Leakage at Call Time

Data leakage has been identified in 648 published papers across 30 scientific fields. The knowledge to prevent it has existed for over a decade; the problem persists because the tools do not enforce what the textbooks teach. This paper presents a grammar (eight typed primitives connected by a directed acyclic graph with four hard constraints) that makes the most damaging leakage types structurally unrepresentable within the grammar's scope. The core mechanism is a terminal assessment gate: the first call-time-enforced evaluate/assess boundary documented in the peer-reviewed ML methodology literature (to my knowledge, as of May 2026), backed by a specification precise enough for independent reimplementation. A companion landscape study across 2,047 datasets grounds the constraints in measured effect sizes. Two reference implementations (Python, R) are available.

Authors

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-05-29
DOI
https://doi.org/10.5281/zenodo.20450649
Primary Topic
Scientific Computing and Data Management
Type
preprint
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preprint

A Grammar of Machine Learning Workflows: Rejecting Data Leakage at Call Time

Simon Roth
Zenodo (CERN European Organization for Nuclear Research)
Scientific Computing and Data Management
preprint

A Grammar of Machine Learning Workflows: Rejecting Data Leakage at Call Time

Simon Roth
preprint en

Abstract

Data leakage has been identified in 648 published papers across 30 scientific fields. The knowledge to prevent it has existed for over a decade; the problem persists because the tools do not enforce what the textbooks teach. This paper presents a grammar (eight typed primitives connected by a directed acyclic graph with four hard constraints) that makes the most damaging leakage types structurally unrepresentable within the grammar's scope. The core mechanism is a terminal assessment gate: the first call-time-enforced evaluate/assess boundary documented in the peer-reviewed ML methodology literature (to my knowledge, as of May 2026), backed by a specification precise enough for independent reimplementation. A companion landscape study across 2,047 datasets grounds the constraints in measured effect sizes. Two reference implementations (Python, R) are available.

Zenodo (CERN European Organization for Nuclear Research)
Quality Education
Scientific Computing and Data Management
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