Ali Ramlaoui
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Papers

Conference, workshop and preprint papers, newest first.

  1. 2026Atompack: A Storage and Distribution Layer for Read-Heavy Atomistic ML Training DatasetsAli Ramlaoui, Daniel T. Speckhard, Sagar Pal, Fragkiskos D. Malliaros, Alexandre Duval, Victor SchmidtPreprint
  2. 2026Efficient Cross-Functional Learning for Atomistic Modeling of MaterialsRaphaël Hirsch, Walid Bouainouche, Jibril El hassani, Fragkiskos D. Malliaros, Alexandre Duval, Ali RamlaouiICML 2026 Workshop on AI for Science (AI4Science)
  3. 2026TriForces: Augmenting Atomistic GNNs for Transferable RepresentationsAli Ramlaoui, Alexandre Duval, Hannah Bull, Victor Schmidt, Hugues Talbot, Fragkiskos D. Malliaros, Joseph MusielewiczICML 2026
  4. 2025Catalyst GFlowNet for Electrocatalyst Design: A Hydrogen Evolution Reaction Case StudyLena Podina, Christina Humer, Alexandre Duval, Victor Schmidt, Ali Ramlaoui, Shahana Chatterjee, Yoshua Bengio, Alex Hernandez-Garcia, David Rolnick, Félix TherrienNeurIPS 2025 Workshop on AI for Accelerated Materials Design (AI4Mat)
  5. 2025LeMat-Bulk: Aggregating, and De-Duplicating Quantum Chemistry Materials DatabasesMartin Siron, Inel Djafar, Ali Ramlaoui, Etienne du Fayet, Amandine Rossello, Edvin Fako, Matthew McDermott, Félix Therrien, Luis Barroso-Luque, Flaviu Cipcigan, Philippe Schwaller, Thomas Wolf, Alexandre DuvalICLR 2025 Workshop on AI for Accelerated Materials Design (AI4Mat)
  6. 2025LeMat-GenBench: A Unified Evaluation Framework for Crystal Generative ModelsSiddharth Betala, Samuel P. Gleason, Ali Ramlaoui, Andy Xu, Georgia Channing, Daniel Levy, Clémentine Fourrier, Nikita Kazeev, Chaitanya K. Joshi, Sékou-Oumar Kaba, Félix Therrien, Alex Hernandez-Garcia, Rocío Mercado, N. M. Anoop Krishnan, Alexandre DuvalNeurIPS 2025 Workshop on AI for Accelerated Materials Design (AI4Mat)
  7. 2025LeMat-Traj: A Scalable and Unified Dataset of Materials Trajectories for Atomistic ModelingAli Ramlaoui, Martin Siron, Inel Djafar, Joseph Musielewicz, Amandine Rossello, Victor Schmidt, Alexandre DuvalNeurIPS 2025 Workshop on AI for Accelerated Materials Design (AI4Mat)
  8. 2024Improving Molecular Modeling with Geometric GNNs: an Empirical StudyAli Ramlaoui, Théo Saulus, Basile Terver, Victor Schmidt, David Rolnick, Fragkiskos D. Malliaros, Alexandre DuvalICML 2024 Workshop on ML for Life and Material Science: From Theory to Industry Applications (ML4LMS)