Work

BidhanChandra/UQ-ML-Calib: UQ-ML-Calib

Year: 2025

Type: article

Abstract: Enhancing Uncertainty Quantification in Molecular Machine Learning This repository contains code and data for the paper: "Enhancing Uncertainty Quantification in Molecular Machine Learning: A Comparative Study of Deep Evidential Regression and Ensembles, with Post-Hoc Calibration."

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.14998297

Authors: Bidhan Chandra Garain, Barbatti, Mario

Institution: Aix-Marseille Université

Language: English

Topic: Machine Learning in Materials Science

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funders: Sony, European Commission

Award: G1214901642