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cs.LG2026
MSAlign: Aligning Molecule and Mass Spectra Foundation Models for Metabolite Identification
Paul Krzakala, Gabriel Melo, Camille Lançon +4
Accurately identifying metabolites i.e. small molecules from mass spectrometry data remains a core challenge in metabolomics, with broad applications in drug discovery, environment…
cs.LG2025
The quest for the GRAph Level autoEncoder (GRALE)
Paul Krzakala, Gabriel Melo, Charlotte Laclau +2
Although graph-based learning has attracted a lot of attention, graph representation learning is still a challenging task whose resolution may impact key application fields such as…