Results 121 to 130 of about 51,585 (257)

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

open access: yesAIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim   +2 more
wiley   +1 more source

Structure and Spectroscopic Characterisation of Phenanthroline‐Based Iodobismuthate(III) Complexes Utilised for Raw Acoustic Signal Classification

open access: yesAdvanced Intelligent Discovery, EarlyView.
Memristors based on trimethylsulfonium (phenanthroline)tetraiodobismuthate have been utilised as a nonlinear node in a delayed feedback reservoir. This system allowed an efficient classification of acoustic signals, namely differentiation of vocalisation of the brushtail possum (Trichosurus vulpecula).
Ewelina Cechosz   +4 more
wiley   +1 more source

Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion

open access: yesAdvanced Intelligent Discovery, EarlyView.
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

Toward Capacitive In‐Memory‐Computing: A Device to Systems Level Perspective on the Future of Artificial Intelligence Hardware

open access: yesAdvanced Intelligent Discovery, EarlyView.
Capacitive, charge‐domain compute‐in‐memory (CIM) stores weights as capacitance,eliminating DC sneak paths and IR‐drop, yielding near‐zero standbypower. In this perspective, we present a device to systems level performance analysis of most promising architectures and predict apathway for upscaling capacitive CIM for sustainable edge computing ...
Kapil Bhardwaj   +2 more
wiley   +1 more source

External Validation, Recalibration, and Extension of a Prediction Model of Early Acute Kidney Injury in Critically Ill Children Using Multicenter Data. [PDF]

open access: yesCrit Care Explor
Dziorny AC   +17 more
europepmc   +1 more source

Advances in Thermal Modeling and Simulation of Lithium‐Ion Batteries with Machine Learning Approaches

open access: yesAdvanced Intelligent Discovery, EarlyView.
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

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