81-92% of chemically valid and metastable crystals from generative models are training duplicates or substitution-derived, with low-symmetry cases showing interpolation and high-symmetry cases showing memorization.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cs.LG 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Substitution-Based Analysis of Structural Novelty for Generative Models of Materials
81-92% of chemically valid and metastable crystals from generative models are training duplicates or substitution-derived, with low-symmetry cases showing interpolation and high-symmetry cases showing memorization.