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Klaus-Robert Müller
Klaus-Robert Müller
7
papers
250
total citations
papers (7)
SE(3)-equivariant prediction of molecular wavefunctions and electronic densities
NEURIPS 2021
arXiv
117
citations
So3krates: Equivariant attention for interactions on arbitrary length-scales in molecular systems
NEURIPS 2022
arXiv
64
citations
Shortcomings of Top-Down Randomization-Based Sanity Checks for Evaluations of Deep Neural Network Explanations
CVPR 2023
arXiv
32
citations
Physics-Informed Bayesian Optimization of Variational Quantum Circuits
NEURIPS 2023
arXiv
21
citations
Efficient hierarchical Bayesian inference for spatio-temporal regression models in neuroimaging
NEURIPS 2021
arXiv
8
citations
Manipulating Feature Visualizations with Gradient Slingshots
NEURIPS 2025
arXiv
6
citations
Sampling 3D Molecular Conformers with Diffusion Transformers
NEURIPS 2025
arXiv
2
citations