Gabor Csanyi

4 papers · 2021–2024 · 2 venues · across top CS/AI venues

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Achievements

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🌍 Conference Polyglot · Bronze 🌉 Interdisciplinary Bridge · Bronze 🐣 Hot Topic Early Bird

Venues

ICLR (3) NeurIPS (1)

Top co-authors

Ilyes Batatia (3) Christoph Ortner (2) José Miguel Hernández-Lobato (1) Ivan Grega (1) Gregor N. C. Simm (1) Lars Leon Schaaf (1) Vikram Deshpande (1) Robert Pinsler (1) David P Kovacs (1) Gregor Simm (1)

Research topics

Deep Learning (3) Architectures (3) Artificial Intelligence (2) Machine Learning (2) Core AI (2) Interdisciplinary (1) Reinforcement Learning (1) Application Areas (1) Core Methods (1) Learning Types (1) Methods (1) Science (1)

Keywords

graph neural network (3) equivariant neural network (3) message passing neural network (2) molecule generation (1) spherical harmonics (1) interatomic potential (1) force field (1) non-local interaction (1) state-action representation (1) computational chemistry (1) quantum system (1) matrix function (1) elasticity tensor (1) lattice metamaterial (1) reinforcement learning (1) finite element modelling (1) surrogate model (1) molecular design (1)

Papers

Energy-conserving equivariant GNN for elasticity of lattice architected metamaterials ICLR 2024 Equivariant Matrix Function Neural Networks ICLR 2024 MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields NeurIPS 2022 Symmetry-Aware Actor-Critic for 3D Molecular Design ICLR 2021