CrystalXRD-Bench: Benchmarking Vision-Language Models for XRD Peak Indexing Across Diverse Crystalline Materials

arXiv:2605.29446v1 Announce Type: new Abstract: Miller-index identification from powder XRD patterns requires capabilities untested by existing multimodal benchmarks: the model must read a narrow peak location from a rendered scientific curve and then connect that observation to multi-step crystallographic reasoning. We introduce CrystalXRD-Bench, a 250-sample benchmark built from 10 public crystallographic databases for a single task: recover the full set of HKLs contributing to the highest-intensity peak in an XRD pattern. Each sample pairs the rendered XRD image with the source CIF text and

Source: arXiv cs.AI — read the full report at the original publisher.

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