A formula-free transformer with fuzzy MoE aggregation and contrastive alignment improves IR-to-SMILES elucidation, reaching 31.8% Top-1 on experimental NIST spectra, but the >10-point gains occur only on the QM9S subset.
A theory of fuzzy measures: Representations, the choquet integral, and null sets.Journal of Mathematical Analysis and Applications, 159(2):532–549, 1991
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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation
A formula-free transformer with fuzzy MoE aggregation and contrastive alignment improves IR-to-SMILES elucidation, reaching 31.8% Top-1 on experimental NIST spectra, but the >10-point gains occur only on the QM9S subset.