Results 111 to 120 of about 66,452 (290)
Advanced Intelligent Discovery, EarlyView.This work establishes a correlation between solvent properties and the charge transport performance of solution‐processed organic thin films through interpretable machine learning. Strong dispersion interactions (δD), moderate hydrogen bonding (δH), closely matching and compatible with the solute (quadruple thiophene), and a small molar volume (MolVol)
Tianhao Tan, Lian Duan, Dong Wang
wiley +1 more source
Protocol to explain graph neural network predictions using an edge-centric Shapley value-based approach. [PDF]
STAR Protoc, 2022 Mastropietro A, Pasculli G, Bajorath J.
europepmc +1 more source
Deep Learning‐Assisted Design of Mechanical Metamaterials
Advanced Intelligent Discovery, EarlyView.This review examines the role of data‐driven deep learning methodologies in advancing mechanical metamaterial design, focusing on the specific methodologies, applications, challenges, and outlooks of this field. Mechanical metamaterials (MMs), characterized by their extraordinary mechanical behaviors derived from architected microstructures, have ...
Zisheng Zong +5 more
wiley +1 more source
Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion
Advanced 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
Advanced Intelligent Discovery, EarlyView.An AI‐assisted approach is introduced to decode synthesis–performance relationships in metal‐organic framework‐derived supercapacitor materials using Bayesian optimization and predictive modeling, streamlining the search for optimal energy storage properties.
David Gryc +8 more
wiley +1 more source
When less is more powerful: Shapley value attributed ablation with augmented learning for practical time series sensor data classification. [PDF]
PLoS One, 2022 Ukil A, Marin L, Jara AJ.
europepmc +1 more source
The Shapley Value in Knapsack Budgeted Games
, 2014 We propose the study of computing the Shapley value for a new class of cooperative games that we call budgeted games, and investigate in particular knapsack budgeted games, a version modeled after the classical knapsack problem.
Bhagat, Smriti +3 more
core +1 more source
, 2003 A method to allocate the benefits to the players of a cooperative game is the Shapley value. Its computation demands the knowledge of all coaltion worths with certainty. This paper introduces the expected Shapley value, an extension of the Shapley to games were not all the worths are known with certainty.
openaire +2 more sources
Advanced 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
Discovery of moiety preference by Shapley value in protein kinase family using random forest models. [PDF]
BMC Bioinformatics, 2022 Huang YW +7 more
europepmc +1 more source