Uncertainty Quantification on Mira Jürgens

Uncertainty Quantification on Mira Jürgenshttps://mkjuergens.github.io/tags/uncertainty-quantification/Recent content in Uncertainty Quantification on Mira JürgensHugo -- 0.147.2enWed, 01 Apr 2026 00:00:00 +0000When can you trust the annotation? Selective Prediction for Molecular Structure Retrieval from MS/MS Spectrahttps://mkjuergens.github.io/research/msms/Wed, 01 Apr 2026 00:00:00 +0000https://mkjuergens.github.io/research/msms/We propose a selective prediction framework for the task of molecular structure retrieval via molecular fingerprint prediction from mass spectra.Epistemic uncertainty estimation methods are fundamentally incompletehttps://mkjuergens.github.io/research/position/Fri, 06 Feb 2026 00:00:00 +0000https://mkjuergens.github.io/research/position/We argue that current epistemic uncertainty methods are fundamentally incomplete: unaccounted bias contaminates aleatoric estimates, and existing methods capture only partial variance contributions. — Machine Learning (Springer), 2025.Is Epistemic Uncertainty Faithfully Represented by Evidential Deep Learning Methods?https://mkjuergens.github.io/research/edl/Sun, 21 Jul 2024 00:00:00 +0000https://mkjuergens.github.io/research/edl/We show that evidential deep learning methods face fundamental optimisation difficulties and that their epistemic uncertainty estimates do not satisfy basic faithfulness properties. — ICML, 2024.