Benchmarking language models and agents for scientific reasoning in evolving materials laboratories

원문 초록

Large language models and the multi-agent systems built around them could accelerate materials discovery by connecting scientific knowledge with experimental decisions. Existing benchmarks establish capabilities in domain knowledge, multimodal interpretation and scientific tool use. As language models increasingly support materials research workflows, their ability to distinguish closely related material states and reason accurately with quantitative evidence remains insufficiently evaluated. These abilities are essential for comparing material responses, assessing mechanisms and maintaining reliable judgements as experimental evidence accumulates. We introduce MatScope to evaluate three connected capabilities. M1 tests unaided, condition-specific reasoning through 200 tasks spanning ten research functions, using aluminium and high-entropy alloys as representative material systems. M2 tests agent-assisted transfer of related knowledge to unresolved materials questions. MatEvoBench-20 tests initial forecasts across scientific dependency chains and revisions of still-hidden responses as observations accumulate. Across eleven model deployments, including GPT-6 Astra and Claude Fable 5.1, given-input calculations and many physical explanations are handled well. Fine-grained response estimates, comparisons between similar states and quantitatively supported choices remain substantially weaker. Related literature improves selected estimates, while condition and baseline mismatches limit transfer. Progressive observations calibrate some downstream responses and destabilize earlier accurate predictions. MatScope establishes measurable targets for developing reliable scientific reasoning in future self-evolving materials laboratories and materials-aware world models.