Results 181 to 190 of about 165,068 (255)

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

Machine Learning‐Enhanced Random Matrix Theory Design for Human Immunodeficiency Virus Vaccine Development

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study integrates random matrix theory (RMT) and principal component analysis (PCA) to improve the identification of correlated regions in HIV protein sequences for vaccine design. PCA validation enhances the reliability of RMT‐derived correlations, particularly in small‐sample, high‐dimensional datasets, enabling more accurate detection of ...
Mariyam Siddiqah   +3 more
wiley   +1 more source

Factorization Machine‐Based Active Learning for Functional Materials Design with Optimal Initial Data

open access: yesAdvanced Intelligent Discovery, EarlyView.
This work investigates the optimal initial data size for surrogate‐based active learning in functional material optimization. Using factorization machine (FM)‐based quadratic unconstrained binary optimization (QUBO) surrogates and averaged piecewise linear regression, we show that adequate initial data accelerates convergence, enhances efficiency, and ...
Seongmin Kim, In‐Saeng Suh
wiley   +1 more source

Bayesian Exploration of Metal‐Organic Framework‐Derived Nanocomposites for High‐Performance Supercapacitors

open access: yesAdvanced 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

Sampling Strategy: An Overlooked Factor Affecting Artificial Intelligence Prediction Accuracy of Peptides’ Physicochemical Properties

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study reveals that sampling strategy (i.e., sampling size and approach) is a foundational prerequisite for building accurate and generalizable AI models in peptide discovery. Reaching a threshold of 7.5% of the total tetrapeptide sequence space was essential to ensure reliable predictions.
Meiru Yan   +3 more
wiley   +1 more source

Home - About - Disclaimer - Privacy