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Klaus-Robert Müller

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#machine learning Preprint Oct 2026

Decoupling Time and Space: A Temporally Conditioned Refinement for EEG Source Imaging

Electroencephalography (EEG) offers millisecond temporal resolution, but inferring underlying neural sources is a severely ill-posed spatial inverse problem. While deep learning has advanced spatial reconstruction, current architectures face a critical dilemma: frame-by-frame models discard vital temporal context, wher...

Marco Morik, Jesse Palarus, C. Vidaurre et al. · 0 citations
#machine learning Preprint Sep 2026

A strategic roadmap for an atomistic machine-learning ecosystem

Data-driven machine learning (ML) techniques have become an essential tool in many domains of science. Their application to atomistic simulations of matter is particularly widespread and impactful. This success is due largely to the existence of a well-developed and established physics-based modeling framework, ranging...

Jörg Behler, Michele Ceriotti, Cecilia Clementi et al. · 0 citations
Preprint Aug 2026

Accurate and Transferable Intermolecular Potential Based on Machine-Learned Molecular Electron Density

DensIP is introduced, a physics-based model of intermolecular interactions that uses machine-learned electron densities and only four universal parameters that outperforms state-of-the-art general-purpose MLFFs for long-range interactions and can be applied to molecules as large as drug ligands.

Dahvyd Wing, Mihail Bogojeski, Szabolcs Góger et al. · 1 citation

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