Ryuhei Okuno

SEP 8, 2026 · PREPRINT

MLIP Detective: Active Failure Mode Discovery Beyond Benchmark Scores for Machine-Learning Interatomic Potentials

arXiv

An early-stage methodological study demonstrating a novel framework for identifying failure modes in machine-learning models, with a single case study showing proof-of-concept but without validation across independent test sets or clinical/real-world application.