Results 191 to 200 of about 512,942 (311)

<i>Vitess 3.8</i>: a modernized framework for Monte Carlo neutron tracing simulations. [PDF]

J Appl Crystallogr
Robledo JI, Violini N, Beule F, Voigt J, Zakalek P, Lieutenant K.   +5 more
europepmc   +1 more source

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

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, Kang Fu, Junjie Ding, Kai Sun, Peng Tan   +4 more
wiley   +1 more source

Penalized eigenvalue block averaging: Extension to nested model comparison and Monte Carlo evaluations. [PDF]

Behav Res Methods
Foldnes N, Grønneberg S, Moss J.
europepmc   +1 more source

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

Advanced 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, Ankeer Abuduhebaier, Haojin Zhou, Jiaqi Wang   +3 more
wiley   +1 more source

EPE contribution analysis method of multiple patterning lithography by Monte Carlo and Sobol sensitivity analysis. [PDF]

Nanoscale Adv
Ai F, Su X, Su Y, Wei Y.
europepmc   +1 more source

Gaussian Process Regression–Neural Network Hybrid with Optimized Redundant Coordinates: A New Simple Yet Potent Tool for Scientist's Machine Learning Toolbox

Advanced Intelligent Discovery, EarlyView.
A machine learning method, opt‐GPRNN, is presented that combines the advantages of neural networks and kernel regressions. It is based on additive GPR in optimized redundant coordinates and allows building a representation of the target with a small number of terms while avoiding overfitting when the number of terms is larger than optimal.
Sergei Manzhos, Manabu Ihara
wiley   +1 more source

Improving sampling efficacy on high-dimensional distributions with thin high-density regions using Conservative Hamiltonian Monte Carlo. [PDF]

PNAS Nexus
McGregor G, Wan ATS.
europepmc   +1 more source

Harnessing Machine Learning to Understand and Design Disordered Solids

Advanced Intelligent Discovery, EarlyView.
This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley   +1 more source

Monte Carlo Assessment of Accuracy for Mean Kärger Model Water Exchange Rate Estimates From Diffusional Kurtosis Time Dependence. [PDF]

NMR Biomed
Jensen JH, Coronado-Leija R, Fieremans E.   +2 more
europepmc   +1 more source

Why Physics Still Matters: Improving Machine Learning Prediction of Material Properties With Phonon‐Informed Datasets

Advanced Intelligent Discovery, EarlyView.
Phonons‐informed machine‐learning predictive models are propitious for reproducing thermal effects in computational materials science studies. Machine learning (ML) methods have become powerful tools for predicting material properties with near first‐principles accuracy and vastly reduced computational cost.
Pol Benítez, Cibrán López, Edgardo Saucedo, Teruyasu Mizoguchi, Claudio Cazorla   +4 more
wiley   +1 more source