Results 161 to 170 of about 49,326 (327)

Uncertainty Calibration in Molecular Machine Learning: Comparing Evidential and Ensemble Approaches

open access: yesChemistry – A European Journal, EarlyView.
ABSTRACT Machine learning (ML) models are increasingly used in quantum chemistry, but their reliability hinges on uncertainty quantification (UQ). In this study, we compare two prominent UQ paradigms—deep evidential regression (DER) and deep ensembles—on the QM9 and WS22 datasets, with a specific emphasis on the role of post hoc calibration.
Bidhan Chandra Garain   +3 more
wiley   +1 more source

Sensitivity analysis and stochastic optimization of levelized cost of hydrogen production through methane pyrolysis

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Abstract Hydrogen plays a crucial role across multiple industrial sectors and is increasingly recognized as a clean energy carrier with significant potential in decarbonization efforts. Methane pyrolysis (MP), particularly using molten metal catalysts, offers a promising pathway for hydrogen production with low CO2 emissions.
Adrian Paredes Bozzo, Zukui Li
wiley   +1 more source

Harnessing non-equilibrium forces to optimize work extraction. [PDF]

open access: yesNat Commun
Olsen KS   +3 more
europepmc   +1 more source

Playing with fire? A mean‐field game analysis of fire sales and systemic risk under regulatory capital constraints

open access: yesCanadian Journal of Statistics, EarlyView.
Abstract We analyze the effect of regulatory capital constraints on financial stability in a large homogeneous banking system using a mean‐field game (MFG) model. Each bank holds cash and a tradable risky asset. Banks choose absolutely continuous trading rates in order to maximize expected terminal equity, with trades subject to transaction costs ...
Rüdiger Frey, Theresa Traxler
wiley   +1 more source

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