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This study establishes a rigorous quantitative benchmark for retrieval-augmented generation (RAG) in materials science, demonstrating that standard text-based retrieval fails to answer complex aggregate queries about experimental data. The research proves that equipping language models with read-only SQL execution over structured device tables is essential for achieving accurate, ground-truth-verified results in fields like perovskite photovoltaics. By shifting from qualitative overlap to direct computation against hundreds of thousands of measured records, this work defines a new operational prerequisite for literature-scale scientific inquiry.
Benchmark for Structured Retrieval-Augmented Generation in Perovskite Photovoltaics
arXiv:2610.25575v1 Announce Type: new Abstract: While retrieval-augmented language models increasingly serve as literature assistants in the physical sciences, existing benchmarks evaluate them primarily on qualitative text overlap or through model-based scoring rather than against verified experimental ground truth. In experimental materials disciplines such as perovskite photovoltaics, however, the most critical inquiries are inherently quantitative and aggregate measurements across dozens or hundreds of papers. Here, we present a quantitative question-answering benchmark where all 755 ground-truth answers are computed directly from 45,441 measured device records (40,889 human-curated records through 2021 and 4,552 records extracted from 2022-2026 literature). Benchmarking six retrieval architectures over 158,274 passages from 25,662 papers using an open 14B model on a single 24 GB GPU, standard passage retrieval tops out at 16-23% accuracy (compared to 1.6-6.5% zero-shot). In contrast, equipping the language model with read-only SQL execution over the structured device table elevates accuracy to 51.5% on historical and 50.8% on prospective literature -- a 33.01.8 percentage-point advantage over hybrid text retrieval. Aggregate queries spanning extrema, distributions, and filtered record counts prove virtually unsolvable via text retrieval alone, demonstrating that systematic table extraction is an operational prerequisite for literature-scale quantitative inquiry.
Abstract:While retrieval-augmented language models increasingly serve as literature assistants in the physical sciences, existing benchmarks evaluate them primarily on qualitative text overlap or through model-based scoring rather than against verified experimental ground truth. In experimental materials disciplines such as perovskite photovoltaics, however, the most critical inquiries are inherently quantitative and aggregate measurements across dozens or hundreds of papers. Here, we present a quantitative question-answering benchmark where all 755 ground-truth answers are computed directly from 45,441 measured device records (40,889 human-curated records through 2021 and 4,552 records extracted from 2022-2026 literature). Benchmarking six retrieval architectures over 158,274 passages from 25,662 papers using an open 14B model on a single 24 GB GPU, standard passage retrieval tops out at 16-23% accuracy (compared to 1.6-6.5% zero-shot). In contrast, equipping the language model with read-only SQL execution over the structured device table elevates accuracy to 51.5% on historical and 50.8% on prospective literature -- a 33.01.8 percentage-point advantage over hybrid text retrieval. Aggregate queries spanning extrema, distributions, and filtered record counts prove virtually unsolvable via text retrieval alone, demonstrating that systematic table extraction is an operational prerequisite for literature-scale quantitative inquiry.
Machine Learning (cs.LG); Artificial Intelligence (cs.AI); Information Retrieval (cs.IR)
arXiv:2610.25575 [cs.LG]
(or arXiv:2610.25575v1 [cs.LG] for this version)
https://doi.org/10.48550/arXiv.2610.25575 Focus to learn more arXiv-issued DOI via DataCite (pending registration)
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