Results 141 to 150 of about 166,859,727 (259)

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

open access: yesAdvanced 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   +19 more
wiley   +1 more source

The K-Step Spatial Sign Covariance Matrix [PDF]

open access: yes
The Sign Covariance Matrix is an orthogonal equivariant estimator of mul- tivariate scale. It is often used as an easy-to-compute and highly robust estimator.
Yadine, A., Croux, C., Dehon, C.
core  

From Top to Bottom: Manufacturing Process‐Context Aware Resolution of Energy Device Electrodes Through a 3D Diffusion Generative Model

open access: yesAdvanced Energy Materials, EarlyView.
The application of a generative diffusion model, enhanced with a training data augmentation pipeline retaining the manufacturing process context of electrode microstructures, leads to improved fidelity of the through‐plane tortuosity factor in the AI generated samples.
Victor Ramirez‐Camacho   +5 more
wiley   +1 more source

Influence function and asymptotic efficiency of the affine equivariant rank covariance matrix. [PDF]

open access: yes
Visuri et al (2001) proposed and illustrated the use of the affine equivariant rank covariance matrix (RCM) in classical multivariate inference problems.
Croux, Christophe, Ollila, E, Oja, H
core  

Descriptor‐Guided Computational Screening of Non‐Fullerene Acceptor Cores for Organic Solar Cells

open access: yesAdvanced Energy Materials, EarlyView.
We screen over 4000 non‐fullerene acceptors using their ionization energy, electron affinity, quadrupole, and dipole moments to select the top‐ten candidates for a given donor polymer. The workflow recovers known high‐performance motifs and reveals how molecular components influence material properties.
Kun‐Han Lin   +9 more
wiley   +1 more source

NParCov3: A SAS/IML Macro for Nonparametric Randomization-Based Analysis of Covariance

open access: yesJournal of Statistical Software, 2012
Analysis of covariance serves two important purposes in a randomized clinical trial. First, there is a reduction of variance for the treatment effect which provides more powerful statistical tests and more precise confidence intervals.
Richard C. Zink, Gary G. Koch
doaj  

554 The covariance of e(k) = [el(k)e2(k)] is i E{e(k)er(k)}=P(k) =-----.

open access: yes, 2008
The initial conditions for each estimate are and the initial covariance P(0) is a,(0)=22(0)=E{x(O)} =x0 I Equation (22) can be expanded to yield the transition equations for the submatrices of P(k) shown in (21).
Evolves As, The Covariance
core  

Constructing and Validating New County‐Level Cultural Capital Indices for Applied Policy Analysis: Evidence From SNAP Take‐Up

open access: yesApplied Economic Perspectives and Policy, EarlyView.
ABSTRACT Cultural capital influences a wide range of social and economic outcomes, yet quantitative measures suitable for policy analysis remain limited. We develop county‐level cultural capital indices for the US based on Bourdieu's framework of objectified, embodied, and institutionalized cultural capital.
Pratyoosh Kashyap   +2 more
wiley   +1 more source

Mathematical Genesis of the Spatio-Temporal Covariance Functions [PDF]

open access: yes
Obtaining new and flexible classes of nonseparable spatio-temporal covariances have resulted in a key point of research in the last years within the context of spatiotemporal Geostatistics.
Montero, JM   +2 more
core  

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