2 papers
cs.AI2026
Test-Time Tuned Language Models Enable End-to-end De Novo Molecular Structure Generation from MS/MS Spectra
Laura Mismetti, Marvin Alberts, Andreas Krause +1
Tandem Mass Spectrometry is a cornerstone technique for identifying unknown small molecules in fields such as metabolomics, natural product discovery and environmental analysis. Ho…
cs.LG2025
SHAP values via sparse Fourier representation
Ali Gorji, Andisheh Amrollahi, Andreas Krause
SHAP (SHapley Additive exPlanations) values are a widely used method for local feature attribution in interpretable and explainable AI. We propose an efficient two-stage algorithm…