Results 181 to 190 of about 63,273 (275)

A Generalized Framework for Data‐Efficient and Extrapolative Materials Discovery for Gas Separation

Advanced Intelligent Discovery, EarlyView.
This study introduces an iterative supervised machine learning framework for metal‐organic framework (MOF) discovery. The approach identifies over 97% of the best performing candidates while using less than 10% of available data. It generalizes across diverse MOF databases and gas separation scenarios.
Varad Daoo, Jayant K. Singh
wiley   +1 more source

A benchmarking of genomic selection models for predicting grain-yield related traits using haplotype-based and genome-wide association study-based markers in rice. [PDF]

Plant Genome
Hu X, Xian L, Cao G, Liu S, Wang D, Che Y, Huang W, Lin Y, He L.   +8 more
europepmc   +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, Christian Mark Pelicano   +1 more
wiley   +1 more source

Critical evaluation of the theory and practice of feed-forward neural networks for genomic prediction. [PDF]

G3 (Bethesda)
Kusmec A, Negus KL, Yu J.
europepmc   +1 more source

Reproducing kernel Hilbert spaces

, 2005
105
openaire   +2 more sources

Self‐Driving Laboratory Optimizes the Lower Critical Solution Temperature of Thermoresponsive Polymers

Advanced Intelligent Discovery, EarlyView.
A low‐cost, self‐driving laboratory is developed to democratize autonomous materials discovery. Using this "frugal twin" hardware architecture with Bayesian optimization, the platform rapidly converges to target lower critical solution temperature (LCST) values while self‐correcting from off‐target experiments, demonstrating an accessible route to data‐
Guoyue Xu, Renzheng Zhang, Tengfei Luo
wiley   +1 more source

ReBaCCA-ss: Relevance-Balanced Continuum Correlation Analysis With Smoothing and Surrogating for Quantifying Similarity Between Population Spiking Activities. [PDF]

Neural Comput
Zhang X, Xu C, Lu Z, Wang H, Song D.
europepmc   +1 more source

Data‐Driven High‐Throughput Volume Fraction Estimation From X‐Ray Diffraction Patterns

Advanced Intelligent Discovery, EarlyView.
Long exposure times and the need for manual evaluation limit the use of X‐ray diffraction in high‐throughput applications. This study presents a data‐driven approach addressing both issues. HiVE (a method for High‐throughput Volume fraction Estimation) performs composition estimation for high‐noise XRD patterns produced using polychromatic emission ...
Hawo H. Höfer, André Orth, Robert Wang, Ben Breitung, Simon Schweidler, Jasmin Aghassi‐Hagmann, Markus Reischl   +6 more
wiley   +1 more source

Introducing the kernel descent optimizer for variational quantum algorithms. [PDF]

Sci Rep
Simon L, Eble H, Radons M.
europepmc   +1 more source