Author

Tanja Bien

3 papers indexed here

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Preprint Sep 2026

Curvature-Aware Flow Matching for Molecular Structure Generation

Generative models produce three-dimensional molecular structures with high geometric accuracy, yet they are trained on distributions of atomic coordinates without explicit access to the underlying physics. The potential energy surface (PES) describes how the energy changes around a molecular geometry, and the RMSD betw...

S. Darouich, Juliane Geisler, Jacob W. Toney et al. · 0 citations

#artificial intelligence Preprint Sep 2026

Fine-Tuning Diffusion Language Models with Context Selection and Target Weighting

GoldiMask is introduced, which selects tokens to reveal as context by approximately maximizing a submodular objective and weights the remaining targets according to how they benefit from the selected context and their remaining learning potential.

L. Mualem, L. Pastor-Pérez, Vinh Tong et al. · 0 citations

#artificial intelligence May 2026

SymDrift: One-Shot Generative Modeling under Symmetries

SymDrift is a framework that makes the drifting field itself symmetry-aware, and introduces two complementary strategies: a symmetrized drift in coordinate space based on optimal alignment, and a $G$-invariant embedding that removes symmetry ambiguity by construction.

S. Darouich, Vinh Tong, L. Pastor-Pérez et al. · arXiv.org · 1 citation