publications

publications by categories in reversed chronological order. generated by jekyll-scholar.

2025

  1. Energy Loss Functions for Physical Systems
    Sékou-Oumar Kaba, Kusha Sareen, Daniel Levy, and Siamak Ravanbakhsh
    In The Thirty-ninth Annual Conference on Neural Information Processing Systems, 2025
  2. LeMat-GenBench: Bridging the gap between crystal generation and materials discovery
    Alexandre Duval, Siddharth Betala, Andy Xu, Samuel P Gleason, Georgia Channing, Daniel Levy, Ali Ramlaoui, Clémentine Fourrier, Nikita Kazeev, Chaitanya K Joshi, and others
    In AI for Accelerated Materials Design-NeurIPS 2025, 2025

2024

  1. E (3)-equivariant mesh neural networks
    Thuan Anh Trang, Nhat Khang Ngo, Daniel T Levy, Thieu Ngoc Vo, Siamak Ravanbakhsh, and Truong Son Hy
    In International Conference on Artificial Intelligence and Statistics, 2024
  2. SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models
    Daniel Levy, Siba Smarak Panigrahi, Sékou-Oumar Kaba, Qiang Zhu, Kin Long Kelvin Lee, Mikhail Galkin, Santiago Miret, and Siamak Ravanbakhsh
    In The Thirteenth International Conference on Learning Representations, 2024
  3. Symmetry-aware generative modeling through learned canonicalization
    Kusha Sareen, Daniel Levy, Arnab Kumar Mondal, Sékou-Oumar Kaba, Tara Akhound-Sadegh, and Siamak Ravanbakhsh
    In Symmetry and Geometry in Neural Representations - NeurIPS 2024, 2024

2023

  1. Molecular fragment-based diffusion model for drug discovery
    Daniel Levy and Jarrid Rector-Brooks
    In ICLR 2023-Machine Learning for Drug Discovery workshop, 2023
  2. Using multiple vector channels improves e (n)-equivariant graph neural networks
    Daniel Levy, Sékou-Oumar Kaba, Carmelo Gonzales, Santiago Miret, and Siamak Ravanbakhsh
    In ICML 2023 Workshop on Machine Learning for Astrophysics, 2023

2022

  1. Single neutron transfer on 23Ne and its relevance for the pathway of nucleosynthesis in astrophysical X-ray bursts
    G Lotay, J Henderson, WN Catford, FA Ali, J Berean, N Bernier, SS Bhattacharjee, M Bowry, R Caballero-Folch, B Davids, and others
    Physics Letters B, 2022
  2. Equivariant Heterogeneous Graph Neural Networks
    Daniel Levy
    McGill University (Canada), 2022