CARAT: Do Materials LLMs Reason or Recite?
Unmasking whether materials AI models are performing scientific reasoning or simple data memorization.
When a materials LLM answers a question about crystal structure, does it reason from the structure or copy an answer already printed in its input? Accuracy cannot tell: a structural description often prints the very field it is scored against. CARAT holds question and gold answer...
ArXiv CS.AI
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The CARAT benchmark highlights a critical flaw in materials science LLMs by distinguishing between genuine reasoning and rote memorization of datasets. This separation is essential for developing reliable AI tools capable of discovering novel compounds rather than simply regurgitating existing scientific literature.
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