Search Results for author: Christian Holm

Found 9 papers, 6 papers with code

Zero Shot Molecular Generation via Similarity Kernels

2 code implementations13 Feb 2024 Rokas Elijošius, Fabian Zills, Ilyes Batatia, Sam Walton Norwood, Dávid Péter Kovács, Christian Holm, Gábor Csányi

Using insights from the trained model, we present Similarity-based Molecular Generation (SiMGen), a new method for zero shot molecular generation.

ZnTrack -- Data as Code

1 code implementation19 Jan 2024 Fabian Zills, Moritz Schäfer, Samuel Tovey, Johannes Kästner, Christian Holm

The past decade has seen tremendous breakthroughs in computation and there is no indication that this will slow any time soon.


Training robust and generalizable quantum models

1 code implementation20 Nov 2023 Julian Berberich, Daniel Fink, Daniel Pranjić, Christian Tutschku, Christian Holm

We derive parameter-dependent Lipschitz bounds for quantum models with trainable encoding, showing that the norm of the data encoding has a crucial impact on the robustness against data perturbations.

Adversarial Robustness Quantum Machine Learning

Towards a Phenomenological Understanding of Neural Networks: Data

no code implementations1 May 2023 Samuel Tovey, Sven Krippendorf, Konstantin Nikolaou, Christian Holm

This framework is then applied to the problem of optimal data selection for the training of NNs.

An extensible lattice Boltzmann method for viscoelastic flows: complex and moving boundaries in Oldroyd-B fluids

no code implementations25 Sep 2020 Michael Kuron, Cameron Stewart, Joost de Graaf, Christian Holm

Most biological fluids are viscoelastic, meaning that they have elastic properties in addition to the dissipative properties found in Newtonian fluids.

Fluid Dynamics Soft Condensed Matter

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