activity
20062023
most citedA KInetic Database for Astrochemistry (KIDA)

593 citations · 992 across the 23 of their papers we have counts for

collaborators

23 papers

stat.ME2023★ 3 cited

Stratification of uncertainties recalibrated by isotonic regression and its impact on calibration error statistics

Pascal Pernot

Abstract Post hoc recalibration of prediction uncertainties of machine learning regression problems by isotonic regression might present a problem for bin-based calibration error s…

cs.LG2023★ 3 cited

Properties of the ENCE and other MAD-based calibration metrics

Pascal Pernot

The Expected Normalized Calibration Error (ENCE) is a popular calibration statistic used in Machine Learning to assess the quality of prediction uncertainties for regression proble…

physics.chem-ph2023★ 5 cited

Validation of uncertainty quantification metrics: a primer based on the consistency and adaptivity concepts

Pascal Pernot

The practice of uncertainty quantification (UQ) validation, notably in machine learning for the physico-chemical sciences, rests on several graphical methods (scattering plots, cal…

physics.data-an2022★ 1 cited

Comparison of recent estimators of uncertainty on the mean for small measurement samples with normal and non-normal error distributions

Pascal Pernot, Jean-Paul Berthet

We review the alternative proposals introduced recently in the literature to update the standard formula to estimate the uncertainty on the mean of repeated measurements, and we co…

physics.data-an2022★ 4 cited

Confidence curves for UQ validation: probabilistic reference vs. oracle

Pascal Pernot

Confidence curves are used in uncertainty validation to assess how large uncertainties () are associated with large errors (). An oracle curve is commonly used as referen…

physics.chem-ph2022★ 22 cited

Prediction uncertainty validation for computational chemists

Pascal Pernot

Validation of prediction uncertainty (PU) is becoming an essential task for modern computational chemistry. Designed to quantify the reliability of predictions in meteorology, the…