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Author

Stephan Gunnemann

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#machine learning Preprint Oct 2026

Physics-Aligned Electronic Ground-State Learning Improves Generalization

Machine-learned interatomic potentials (MLIPs) excel at in-distribution tasks, accelerating drug and material development, yet they struggle to generalize out-of-distribution. We propose to push the cost-accuracy Pareto frontier by designing observable-agnostic electronic ground-state descriptor models (GSMs) with comp...

Eike S. Eberhard, Xaver Kainz, Viktor Kotsev et al. · 0 citations
#machine learning Preprint Oct 2026

Activation Denoising: A Robustness View on Parallel vs Sequential LLM Quantization

Post-training quantization is a powerful tool for compressing large language models. The most scalable methods quantize every layer in parallel, but quantization errors then compound through the residual stream, as no layer corrects for the errors of the layers before it. Sequential quantization accounts for this error...

Yan Scholten, Rachel Lawrence, James Hensman et al. · 0 citations

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