Alexandre Duval

23 papers A* 1A 1B 2Journal 15Unranked 3
YearRankTypeTitle / Venue / Authors
2025 J jnl
Catalyst GFlowNet for electrocatalyst design: A hydrogen evolution reaction case study.
CoRR
Lena Podina, Christina Humer, Alexandre Duval, Victor Schmidt, Ali Ramlaoui, Shahana Chatterjee, Yoshua Bengio, Alex Hernández-García, David Rolnick, Félix Therrien
2025 J jnl
LeMat-GenBench: A Unified Evaluation Framework for Crystal Generative Models.
CoRR
Siddharth 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 Hernández-García, Rocío Mercado, N. M. Anoop Krishnan, Alexandre Duval
2025 J jnl
LeMat-Synth: a multi-modal toolbox to curate broad synthesis procedure databases from scientific literature.
CoRR
Magdalena Lederbauer, Siddharth Betala, Xiyao Li, Ayush Jain, Amine Sehaba, Georgia Channing, Grégoire Germain, Anamaria Leonescu, Faris Flaifil, Alfonso Amayuelas, Alexandre Nozadze, Stefan P. Schmid, Mohd Zaki, Sudheesh Kumar Ethirajan, Elton Pan, Mathilde Franckel, Alexandre Duval, N. M. Anoop Krishnan, Samuel P. Gleason
2025 J jnl
LeMat-Traj: A Scalable and Unified Dataset of Materials Trajectories for Atomistic Modeling.
CoRR
Ali Ramlaoui, Martin Siron, Inel Djafar, Joseph Musielewicz, Amandine Rossello, Victor Schmidt, Alexandre Duval
2024 — —
A Graph Machine Learning Journey: from Explainability to Climate Action. (Apprentissage Automatique sur Graphes: de l'Explicabilité à l'Action Climatique).
Alexandre Duval
2024 J jnl
Improving Molecular Modeling with Geometric GNNs: an Empirical Study.
CoRR
Ali Ramlaoui, Théo Saulus, Basile Terver, Victor Schmidt, David Rolnick, Fragkiskos D. Malliaros, Alexandre Duval
2024 J jnl
PhAST: Physics-Aware, Scalable, and Task-Specific GNNs for Accelerated Catalyst Design.
J. Mach. Learn. Res.
Alexandre Duval, Victor Schmidt, Santiago Miret, Yoshua Bengio, Alex Hernández-García, David Rolnick
2023 J jnl
A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems.
CoRR
Alexandre Duval, Simon V. Mathis, Chaitanya K. Joshi, Victor Schmidt, Santiago Miret, Fragkiskos D. Malliaros, Taco Cohen, Pietro Lio, Yoshua Bengio, Michael M. Bronstein
2023 J jnl
Crystal-GFN: sampling crystals with desirable properties and constraints.
CoRR
Alex Hernández-García, Alexandre Duval, Alexandra Volokhova, Yoshua Bengio, Divya Sharma, Pierre Luc Carrier, Michal Koziarski, Victor Schmidt
2023 A* conf
FAENet: Frame Averaging Equivariant GNN for Materials Modeling.
ICML
Alexandre Duval, Victor Schmidt, Alex Hernández-García, Santiago Miret, Fragkiskos D. Malliaros, Yoshua Bengio, David Rolnick
2023 J jnl
FAENet: Frame Averaging Equivariant GNN for Materials Modeling.
CoRR
Alexandre Duval, Victor Schmidt, Alex Hernández-García, Santiago Miret, Fragkiskos D. Malliaros, Yoshua Bengio, David Rolnick
2023 J jnl
On the importance of catalyst-adsorbate 3D interactions for relaxed energy predictions.
CoRR
Alvaro Carbonero, Alexandre Duval, Victor Schmidt, Santiago Miret, Alex Hernández-García, Yoshua Bengio, David Rolnick
2023 — conf
The Second Learning on Graphs Conference: Preface.
LoG
Soledad Villar, Benjamin Paul Chamberlain, Yuanqi Du, Hannes Stärk, Chaitanya K. Joshi, Andreea Deac, Iulia Duta, Joshua Robinson, Yanqiao Zhu, Kexin Huang, Michelle M. Li, Sofia Bourhim, Ilia Igashov, Alexandre Duval, Mathieu Alain, Dominique Beaini, Xinyu Yuan
2023 B conf
The eyes and hearts of UAV pilots: observations of physiological responses in real-life scenarios.
RO-MAN
Alexandre Duval, Anita Paas, Abdalwhab Abdalwhab, David St-Onge
2022 A conf
Higher-order Clustering and Pooling for Graph Neural Networks.
CIKM
Alexandre Duval, Fragkiskos D. Malliaros
2022 J jnl
Higher-order Clustering and Pooling for Graph Neural Networks.
CoRR
Alexandre Duval, Fragkiskos D. Malliaros
2022 J jnl
PhAST: Physics-Aware, Scalable, and Task-specific GNNs for Accelerated Catalyst Design.
CoRR
Alexandre Duval, Victor Schmidt, Santiago Miret, Yoshua Bengio, Alex Hernández-García, David Rolnick
2022 J jnl
The eyes and hearts of UAV pilots: observations of physiological responses in real-life scenarios.
CoRR
Alexandre Duval, Anita Paas, Abdalwhab Abdalwhab, David St-Onge
2021 — conf
Breaking Writer's Block: Low-cost Fine-tuning of Natural Language Generation Models.
EACL (System Demonstrations)
Alexandre Duval, Thomas Lamson, Gael de Leseleuc de Kerouara, Matthias Gallé
2021 J jnl
Controllable and contextualised writing tool for novel authors.
CoRR
Alexandre Duval, Gael de Leseleuc de Kerouara, Thomas Lamson
2021 — conf
GraphSVX: Shapley Value Explanations for Graph Neural Networks.
ECML/PKDD (2)
Alexandre Duval, Fragkiskos D. Malliaros
2021 J jnl
GraphSVX: Shapley Value Explanations for Graph Neural Networks.
CoRR
Alexandre Duval, Fragkiskos D. Malliaros
2020 B conf
Getting Our Bearings: Advances in Understanding Spatial Reorientation.
CogSci
Nora S. Newcombe, Alexandre Duval, Sang Ah Lee, Anna Shusterman, Noam Miller