Marvin Alberts

Publications

• Test-Time Tuned Language Models Enable End-to-end De Novo Molecular Structure Generation from MS/MS Spectra

  • • Laura Mismetti
    • Marvin Alberts
    • et al.
  • 2026
  • ICLR 2026

  Workshop paper

• Language Model Enabled Structure Prediction from Infrared Spectra of Mixtures

  • • Marvin Alberts
    • Filippo Ficarra
    • et al.
  • 2025
  • NeurIPS 2025

  Workshop paper

• Automated Structure Elucidation at Human-Level Accuracy via a Multimodal Multitask Language Model

  • • Marvin Alberts
    • Nina Hartrampf
    • et al.
  • 2025
  • NeurIPS 2025

  Workshop paper

• Automated Structure Elucidation at Human-Level Accuracy via Multimodal Multitask Language Model

  • • Marvin Alberts
    • Nina Hartrampf
    • et al.
  • 2025
  • SCS Fall Meeting 2025

  Talk

• Transformer Model for Structure Elucidation from Tandem Mass Spectroscopy data

  • • Laura Mismetti
    • Marvin Alberts
    • et al.
  • 2025
  • SCS Fall Meeting 2025

  Talk

• Spectra to Molecule: A Multimodal Multitasking Transformer Model for Automated Structure Elucidation

  • • Marvin Alberts
    • Teodoro Laino
  • 2025
  • ACS Fall 2025

  Talk

• From Spectra to Structure: AI-Powered 31P-NMR Interpretation

  • • Marvin Alberts
    • Nina Hartrampf
    • et al.
  • 2025
  • ACS Fall 2025

  Talk

• Transformer Model for Structure Elucidation from Tandem Mass Spectroscopy data

  • • Laura Mismetti
    • Marvin Alberts
    • et al.
  • 2025
  • ACS Fall 2025

  Talk

• Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry

  • • Marvin Alberts
    • Oliver Schilter
    • et al.
  • 2024
  • NeurIPS 2024

  Conference paper

• Unified Lookup Tables: Privacy-Preserving Foundation Models

  • • Nikita Janakarajan
    • Irina Espejo Morales
    • et al.
  • 2024
  • NeurIPS 2024

  Workshop paper