Results 121 to 130 of about 165,261 (262)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Bayesian Estimation of Marginal Quantiles with Missing Data in a Multivariate Regression Framework. [PDF]

Entropy (Basel)
Morán-Vásquez RA, Mazo-Lopera MA, Escobar-Arias JA.   +2 more
europepmc   +1 more source

Mechanisms of Alkali Ionic Transport in Amorphous Oxyhalides Solid State Conductors

Advanced Energy Materials, EarlyView.
Large‐scale machine learning‐based molecular dynamics simulations are used to investigate isovalent amorphous oxyhalides, revealing a remarkable chemically independent ionic conductivity. A rigorous analysis of alkali residence times across different metal–anion environments identifies divalent anions as key diffusion bottlenecks.
Luca Binci, KyuJung Jun, Bowen Deng, Gerbrand Ceder   +3 more
wiley   +1 more source

Bayesian Estimation Improves Prediction of Outcomes After Epilepsy Surgery. [PDF]

Ann Clin Transl Neurol
Dickey AS, Reddy V, Rashied AA, Pedersen NP, Krafty RT.   +4 more
europepmc   +1 more source

Bayesian computational methods [PDF]

If, in the mid 1980?s, one had asked the average statistician about the difficulties of using Bayesian Statistics, his/her most likely answer would have been ?Well, there is this problem of selecting a prior distribution and then, even if one agrees on ...
Robert, Christian P.
core  

A Kinetic–Energetic Bottleneck of Charge‐Transfer Injection Governs Energy Loss in Organic Solar Cells

Advanced Energy Materials, EarlyView.
Kinetic–energetic projection of time‐resolved photoluminescence reveals that charge‐transfer injection acts as a universal bottleneck in organic solar cells. A physics‐constrained Bayesian framework identifies an emergent effective CT injection rate governing the trade‐off between charge generation and nonradiative energy loss.
Rong Wang, Tobias Osterrieder, Atul Shukla, Christos L. Chochos, Vasilis G. Gregoriou, Yakun He, Hua Tang, Julian Matthias Haffner‐Schirmer, Karen Forberich, Ning Li, Thomas Heumueller, Frédéric Laquai, Jens Hauch, Safa Shoaee, Dieter Neher, Larry Lüer, Christoph J. Brabec   +16 more
wiley   +1 more source

Bayesian estimation yields anti-Weber variability. [PDF]

PNAS Nexus
Prat-Carrabin A, Gershman SJ.
europepmc   +1 more source

Rates of convergence for the posterior distributions of mixtures of Betas and adaptive nonparametric estimation of the density. [PDF]

In this paper, we investigate the asymptotic properties of nonparametric Bayesian mixtures of Betas for estimating a smooth density on [0, 1]. We consider a parametrization of Beta distributions in terms of mean and scale parameters and construct a ...
Rousseau, Judith
core  

Determinants of local food producer participation in state‐sponsored marketing programs: Evidence from Missouri

Agribusiness, EarlyView.
Abstract This study examines producer participation choices considering a variety of potential benefits linked to state‐sponsored marketing programs, using a real choice dataset of farmers in Missouri. Multinomial logit models are employed to predict determinants of farmer enrollment in three tiers of the Missouri Grown local food marketing program ...
Lan Tran, Ye Su, Laura McCann
wiley   +1 more source

Bayesian estimation of covariate assisted principal regression for brain functional connectivity. [PDF]

Biostatistics
Park HG.
europepmc   +1 more source