Results 111 to 120 of about 726,143 (311)

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

A Comprehensive Assessment and Benchmark Study of Large Atomistic Foundation Models for Phonons

open access: yesAdvanced Intelligent Discovery, EarlyView.
We benchmark six large atomistic foundation models on 2429 crystalline materials for phonon transport properties. The rapid development of universal machine learning potentials (uMLPs) has enabled efficient, accurate predictions of diverse material properties across broad chemical spaces.
Md Zaibul Anam   +5 more
wiley   +1 more source

Interpretable Machine Learning for Solvent‐Dependent Carrier Mobility in Solution‐Processed Organic Thin Films

open access: yesAdvanced Intelligent Discovery, EarlyView.
This work establishes a correlation between solvent properties and the charge transport performance of solution‐processed organic thin films through interpretable machine learning. Strong dispersion interactions (δD), moderate hydrogen bonding (δH), closely matching and compatible with the solute (quadruple thiophene), and a small molar volume (MolVol)
Tianhao Tan, Lian Duan, Dong Wang
wiley   +1 more source

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

Text Mining YouTube Comment Data with Wordfish in R

open access: yesThe Programming Historian
In this lesson, you will learn how to download YouTube video comments and use the R programming language to analyze the dataset with Wordfish, an algorithm designed to identify opposing ideological perspectives within a corpus.
Alex Wermer-Colan   +2 more
doaj   +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

Identification of Exhaled Volatile Organic Compounds Biomarkers for Lung Cancer Under Data‐Limited Conditions Using Data Augmentation and Multi‐View Feature Selection

open access: yesAdvanced Intelligent Discovery, EarlyView.
This work introduces a novel framework for identifying non‐small cell lung cancer biomarkers from hundreds of volatile organic compounds in breath, analyzed via gas chromatography‐mass spectrometry. This method integrates generative data augmentation and multi‐view feature selection, providing a stable and accurate solution for biomarker discovery in ...
Guancheng Ren   +10 more
wiley   +1 more source

Advanced Experiment Design Strategies for Drug Development

open access: yesAdvanced Intelligent Discovery, EarlyView.
Wang et al. analyze 592 drug development studies published between 2020 and 2024 that applied design of experiments methodologies. The review surveys both classical and emerging approaches—including Bayesian optimization and active learning—and identifies a critical gap between advanced experimental strategies and their practical adoption in ...
Fanjin Wang   +3 more
wiley   +1 more source

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