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arXiv cs.LG · Papers

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation

arXiv:2607.26164v1 Announce Type: new Abstract: Automated molecular structure elucidation from infrared (IR) spectroscopy data has seen significant advancements in recent years, but its broad applicability is limited by a reliance on pre-determined chemical formulas provided as auxiliary model inputs. This limits model