Victor Yukio Shirasuna

Publications

• A Large Multimodal Molecular Representation Encoder-Decoder Foundation Model for Chemistry

  • • Victor Yukio Shirasuna
    • Emilio Ashton Vital Brazil
    • et al.
  • 2025
  • NeurIPS 2025

• Emergent Pose-Invariance in 3D Molecular Representations via Multimodal Learning

  • • Eduardo Almeida Soares
    • Victor Yukio Shirasuna
    • et al.
  • 2025
  • NeurIPS 2025

• Token-Level Early Fusion Model Bridging Text and 3D Electron Density Grids in Chemistry

  • • Eduardo Almeida Soares
    • Emilio Ashton Vital Brazil
    • et al.
  • 2025
  • NeurIPS 2025

• Emergent SO(3)-Invariant Molecular Representations from Multimodal Alignment

  • • Eduardo Almeida Soares
    • Victor Yukio Shirasuna
    • et al.
  • 2025
  • NeurIPS 2025

• Leveraging multi-textual representation of molecules on a large encoder-decoder foundation models for materials

  • • Victor Yukio Shirasuna
    • Emilio Ashton Vital Brazil
    • et al.
  • 2025
  • ACS Fall 2025

• Multi-View Mixture-of-Experts for predicting molecular properties using SMILES, SELFIES, and graph-based representations

  • • Eduardo Almeida Soares
    • Victor Yukio Shirasuna
    • et al.
  • 2025
  • Machine Learning: Science and Tech.

• A Mamba-Based Foundation Model for Materials

  • • Eduardo Almeida Soares
    • Emilio Ashton Vital Brazil
    • et al.
  • 2025
  • NPJ AI

• A Foundation Model for Simulation-Grade Molecular Electron Densities

  • • Eduardo Almeida Soares
    • Dmitry Zubarev
    • et al.
  • 2025
  • ICLR 2025

• SMI-TED: A large-scale foundation model for materials and chemistry

  • • Eduardo Almeida Soares
    • Emilio Ashton Vital Brazil
    • et al.
  • 2025
  • ICLR 2025

• Modeling electron density grids using a 3D VQ-GAN approach

  • • Dmitry Zubarev
    • Emilio Ashton Vital Brazil
    • et al.
  • 2025
  • ACS Spring 2025