CARAT study finds materials LLMs often recite rather than reason about crystal structures
CARAT, a new benchmark for materials science LLMs, suggests these models frequently repeat memorized answers rather than derive them from input data. The study, posted on arXiv, fixes questions and gold answers across eight variations to isolate reasoning versus memorization. It finds that even when models access full structural data (grounded view), their performance gains over formula inputs…
Key points
- CARAT benchmark isolates reasoning vs. memorization in materials LLMs by fixing questions and gold answers across eight variations
- Grounded views (full structural data) improve accuracy by 17.3 points over formula inputs on hardest families
- Models often recite memorized relations: accuracy drops to 23.4% when structural links are removed
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