Search Results for author: An T. Le

Found 4 papers, 0 papers with code

Structure-Aware E(3)-Invariant Molecular Conformer Aggregation Networks

no code implementations3 Feb 2024 Duy M. H. Nguyen, Nina Lukashina, Tai Nguyen, An T. Le, TrungTin Nguyen, Nhat Ho, Jan Peters, Daniel Sonntag, Viktor Zaverkin, Mathias Niepert

Contrary to prior work, we propose a novel 2D--3D aggregation mechanism based on a differentiable solver for the \emph{Fused Gromov-Wasserstein Barycenter} problem and the use of an efficient online conformer generation method based on distance geometry.

Molecular Property Prediction Property Prediction

Hierarchical Policy Blending As Optimal Transport

no code implementations4 Dec 2022 An T. Le, Kay Hansel, Jan Peters, Georgia Chalvatzaki

We present hierarchical policy blending as optimal transport (HiPBOT).

Learning Implicit Priors for Motion Optimization

no code implementations11 Apr 2022 Julen Urain, An T. Le, Alexander Lambert, Georgia Chalvatzaki, Byron Boots, Jan Peters

In this paper, we focus on the problem of integrating Energy-based Models (EBM) as guiding priors for motion optimization.

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