Oliver Unke

3 papers · 2021–2022 · 2 venues · across top CS/AI venues

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Achievements

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

Venues

NeurIPS (2) ICML (1)

Top co-authors

Klaus-Robert Müller (2) Michael Gastegger (2) Thorben Frank (1) Mario Geiger (1) Mihail Bogojeski (1) Tess Smidt (1) Kristof Schütt (1)

Research topics

Deep Learning (3) Machine Learning (3) Core Methods (3) Interdisciplinary (2) Architectures (2) Science (2) Artificial Intelligence (1) Computer Vision (1) Analysis (1) Core AI (1) Learning Types (1) Techniques (1)

Keywords

message passing neural network (2) quantum chemistry (2) molecular property prediction (2) spherical harmonics (1) equivariant representation (1) point cloud processing (1) tensorial property (1) molecular spectra (1) graph neural network (1) equivariant attention (1) wavefunction prediction (1) tensorial properties (1) molecular system (1) molecular wavefunction (1) se3-equivariant neural network (1) electronic density (1) transfer learning (1) non-local effect (1) point cloud (1) geometric deep learning (1)

Papers

So3krates: Equivariant attention for interactions on arbitrary length-scales in molecular systems NeurIPS 2022 Equivariant message passing for the prediction of tensorial properties and molecular spectra ICML 2021 SE(3)-equivariant prediction of molecular wavefunctions and electronic densities NeurIPS 2021