When Literature Data Can Mislead Artificial Intelligence in Materials Discovery

Artificial intelligence (AI) increasingly treats scientific literature as a data source for building databases, training predictive models, and guiding discovery. Yet literature-derived datasets often assume that reported experimental values are internally consistent and directly reusable. Here, we analyze this assumption using solid electrolyte (SE) conductivity data as a representative materials-science case. By tracing values from source articles to curated datasets, we identify recurrent text-figure mismatches, ambiguous axis annotations, unit inconsistencies, and missing measurement context. These discrepancies are often numerically plausible and therefore difficult to detect through routine preprocessing, but they can propagate as structured label noise during database construction and machine-learning reuse. A cross-database example shows how ambiguous reporting can create a 100-fold conductivity error. Our analysis reframes data accuracy as an infrastructure requirement for artificial-intelligence-driven discovery and motivates traceable reporting, curation, and validation practices for reusable scientific data. Keywords: AI for science; Data reliability; Scientific databases; Structured label noise; Literature-derived data; Materials informatics; Solid electrolytes

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Publication Details

Journal
ACS Energy Letters
Published
2026-11-04
DOI
https://doi.org/10.1021/acsenergylett.6c02891
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
0.00

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article

When Literature Data Can Mislead Artificial Intelligence in Materials Discovery

Hidemi Kato, Eric Jianfeng Cheng, Ryuhei Sato, Ying Li et al.
4 links
ACS Energy Letters
Machine Learning in Materials Science
article

When Literature Data Can Mislead Artificial Intelligence in Materials Discovery

Hidemi Kato, Eric Jianfeng Cheng, Ryuhei Sato, Ying Li, Qian Wang, Shin-ichi Orimo, Hao Li
article en

Abstract

Artificial intelligence (AI) increasingly treats scientific literature as a data source for building databases, training predictive models, and guiding discovery. Yet literature-derived datasets often assume that reported experimental values are internally consistent and directly reusable. Here, we analyze this assumption using solid electrolyte (SE) conductivity data as a representative materials-science case. By tracing values from source articles to curated datasets, we identify recurrent text-figure mismatches, ambiguous axis annotations, unit inconsistencies, and missing measurement context. These discrepancies are often numerically plausible and therefore difficult to detect through routine preprocessing, but they can propagate as structured label noise during database construction and machine-learning reuse. A cross-database example shows how ambiguous reporting can create a 100-fold conductivity error. Our analysis reframes data accuracy as an infrastructure requirement for artificial-intelligence-driven discovery and motivates traceable reporting, curation, and validation practices for reusable scientific data. Keywords: AI for science; Data reliability; Scientific databases; Structured label noise; Literature-derived data; Materials informatics; Solid electrolytes

ACS Energy Letters
Tohoku University (JP), The University of Tokyo (JP)
TEPCO Memorial Foundation, Tohoku University Center for Gender Equality Promotion, Institute for Materials Research, Tohoku University, Division of Materials Research, Strategic International Collaborative Research Program
Openalex Percentile: Top 51%
Machine Learning in Materials Science
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When Literature Data Can Mislead Artificial Intelligence in Materials Discovery — Hidemi Kato, Eric Jianfeng Cheng, et al. · ACS Energy Letters (2026) | TGRS Research Map | TGRS