ResearchResearch paperEfficiency & Inference · Large Language Models1 source · Oct 16, 2026

CME-SpectrumBench: Can LLMs Analyze Condensed Matter Spectral Data?

To this end, we present CME-SpectrumBench, an expert-designed benchmark consisting of 190 questions that measures how reliably frontier LLMs analyze research-level spectral scientific data in condensed matter experiments (CME).

Key points

  • Large Language Models (LLMs) are presently well assessed by expert-level mathematics and physics benchmarks which focus on theoretical, symbolic reasoning.
  • Using simulated CME spectral data, we prompt models to identify structures from 2D intensity arrays in the face of noise and limited instrumental resolution, a test of dense context reasoning.
  • LLM performance becomes comparable to handwritten code by allowing tool use (access to a Python interpreter) with/without ReAct prompting, in effect mapping questions onto agentic code generation problems.
  • Our findings show that frontier models can serve as research assistants by interfacing with data through code, but still face difficulties processing information directly from large datasets - a key barrier future foundation models must overcome.

Sources (1)

  • [1]CME-SpectrumBench: Can LLMs Analyze Condensed Matter Spectral Data?
    arXiv (AI, ML, NLP, CV, robotics, multi-agent) · Oct 16, 10:58 PM
    To this end, we present CME-SpectrumBench, an expert-designed benchmark consisting of 190 questions that measures how reliably frontier LLMs analyze research-level spectral scientific data in condensed matter experiments (CME).
    Large Language Models (LLMs) are presently well assessed by expert-level mathematics and physics benchmarks which focus on theoretical, symbolic reasoning.

Extractive summary: sentences quoted from the sources.

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