RamanBench unifies 74 datasets into the first large-scale reproducible benchmark for ML on Raman spectra, finding tabular foundation models outperform baselines but no method generalizes across datasets.
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XDecomposer uses set prediction and phase-query decomposition to jointly identify phases and reconstruct multiphase PXRD patterns without priors.
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RamanBench: A Large-Scale Benchmark for Machine Learning on Raman Spectroscopy
RamanBench unifies 74 datasets into the first large-scale reproducible benchmark for ML on Raman spectra, finding tabular foundation models outperform baselines but no method generalizes across datasets.
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XDecomposer: Learning Prior-Free Set Decomposition for Multiphase X-ray Diffraction
XDecomposer uses set prediction and phase-query decomposition to jointly identify phases and reconstruct multiphase PXRD patterns without priors.