Results 121 to 130 of about 758,750 (320)

The Necessity of Dynamic Workflow Managers for Advancing Self‐Driving Labs and Optimizers

open access: yesAdvanced Intelligent Discovery, EarlyView.
We assess the maturity and integration readiness of key methodologies for Materials Acceleration Platforms, highlighting the need for dynamic workflow managers. Demonstrating this, we integrate PerQueue into a color‐mixing robot, showing how flexible orchestration improves coordination and optimization.
Simon K. Steensen   +6 more
wiley   +1 more source

A Machine Learning Model for Interpretable PECVD Deposition Rate Prediction

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study develops six machine learning models (k‐nearest neighbors, support vector regression, decision tree, random forest, CatBoost, and backpropagation neural network) to predict SiNx deposition rates in plasma‐enhanced chemical vapor deposition using hybrid production and simulation data.
Yuxuan Zhai   +8 more
wiley   +1 more source

Bayesian hierarchical models for analysing the spatial distribution of bioclimatic indices [PDF]

open access: yes, 2017
A methodological approach for modelling the spatial distribution of bioclimatic indices is proposed in this paper. The value of the bioclimatic index is modelled with a hierarchical Bayesian model that incorporates both structured and unstructured random
Barber, Antoni   +5 more
core  

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

open access: yesAdvanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

Deep Learning‐Assisted Design of Mechanical Metamaterials

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review examines the role of data‐driven deep learning methodologies in advancing mechanical metamaterial design, focusing on the specific methodologies, applications, challenges, and outlooks of this field. Mechanical metamaterials (MMs), characterized by their extraordinary mechanical behaviors derived from architected microstructures, have ...
Zisheng Zong   +5 more
wiley   +1 more source

Large Language Model in Materials Science: Roles, Challenges, and Strategic Outlook

open access: yesAdvanced Intelligent Discovery, EarlyView.
Large language models (LLMs) are reshaping materials science. Acting as Oracle, Surrogate, Quant, and Arbiter, they now extract knowledge, predict properties, gauge risk, and steer decisions within a traceable loop. Overcoming data heterogeneity, hallucinations, and poor interpretability demands domain‐adapted models, cross‐modal data standards, and ...
Jinglan Zhang   +4 more
wiley   +1 more source

A Physics Constrained Machine Learning Pipeline for Young's Modulus Prediction in Multimaterial Hyperelastic Cylinders Guided by Contact Mechanics

open access: yesAdvanced Intelligent Discovery, EarlyView.
A physics‐guided machine learning framework estimates Young's modulus in multilayered multimaterial hyperelastic cylinders using contact mechanics. A semiempirical stiffness law is embedded into a custom neural network, ensuring physically consistent predictions. Validation against experimental and numerical data on C.
Christoforos Rekatsinas   +4 more
wiley   +1 more source

Bayesian Hierarchical Tobit Models: an application to travel distance analysis

open access: yesIngeniería, 2017
The objective of travel distance models is to better understand travel behavior so that policies can be implemented for reducing travel and with that the externalities of transport such as air pollution, congestion, and crashes.
Jonathan Aguero-Valverde
doaj   +1 more source

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