Simulated evaluation of large language model stepwise diagnostic reasoning with real-world chest pain encounters and Bayesian networks. [PDF]
Safranek CW +7 more
europepmc +1 more source
Abstract Despite the growing use of ML in chemical engineering, the catalytic conversion of sulfur dioxide (SO2) to sulfur trioxide (SO3) remains underexplored from a data‐driven modeling perspective. This study evaluates an integrated workflow for literature‐derived SO2 oxidation data, combining data curation, preprocessing assessment, machine ...
Farough Agin +2 more
wiley +1 more source
Data-driven Bayesian networks for risk scenario mapping of Falls from height accidents. [PDF]
Li J, Wang T.
europepmc +1 more source
Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia +1 more
wiley +1 more source
Correction: A guide to bayesian networks software for structure and parameter learning, with a focus on causal discovery tools. [PDF]
Canonaco F +4 more
europepmc +1 more source
Embedded Morgan Fingerprints for More Efficient Molecular Property Predictions With Machine Learning
High dimensionality of Morgan fingerprints causes overfitting and slow training. Embedded Morgan Fingerprint (eMFP) compresses this encoding while keeping key structural information intact. Tested on five regression models across three databases for HOMO–LUMO gap prediction, eMFP outperforms standard fingerprints, training faster on large, high ...
Emilio Nuñez‐Andrade +4 more
wiley +1 more source
A hybrid approach combining Bayesian networks and logistic regression for enhancing risk assessment. [PDF]
Wei X, Dong Y.
europepmc +1 more source
Heat generation in lithium‐ion batteries affects performance, aging, and safety, requiring accurate thermal modeling. Traditional methods face efficiency and adaptability challenges. This article reviews machine learning‐based and hybrid modeling approaches, integrating data and physics to improve parameter estimation and temperature prediction ...
Qi Lin +4 more
wiley +1 more source
A guide to bayesian networks software for structure and parameter learning, with a focus on causal discovery tools. [PDF]
Canonaco F +4 more
europepmc +1 more source

