Results 41 to 50 of about 111,792 (225)

Research and Analysis of IndoBERT Hyperparameter Tuning in Fake News Detection

open access: yesJurnal Nasional Teknik Elektro dan Teknologi Informasi
The rapid advancement of communication technology has transformed how information is shared, but it has also brought concerns about the proliferation of false information.
Anugerah Simanjuntak   +6 more
doaj   +1 more source

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

open access: yesAdvanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi   +2 more
wiley   +1 more source

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

open access: yesAdvanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu   +3 more
wiley   +1 more source

BAYESIAN OPTIMIZATION FOR TUNING HYPERPARAMETRS OF MACHINE LEARNING MODELS: A PERFORMANCE ANALYSIS IN XGBOOST

open access: yesКомпютерні системи та інформаційні технології
The performance of machine learning models depends on the selection and tuning of hyperparameters. As a widely used gradient boosting method, XGBoost relies on optimal hyperparameter configurations to balance model complexity, prevent overfitting, and ...
Микола ЗЛОБІН   +1 more
doaj   +1 more source

Redefining Therapies for Drug‐Resistant Tuberculosis: Synergistic Effects of Antimicrobial Peptides, Nanotechnology, and Computational Design

open access: yesAdvanced Healthcare Materials, EarlyView.
Antimicrobial peptide (AMP)‐loaded nanocarriers provide a multifunctional strategy to combat drug‐resistant Mycobacterium tuberculosis. By enhancing intracellular delivery, bypassing efflux pumps, and disrupting bacterial membranes, this platform restores phagolysosome fusion and macrophage function.
Christian S. Carnero Canales   +11 more
wiley   +1 more source

Unveiling the Role of Curvature in Carbon for Improved Energy Release of Ammonium Perchlorate

open access: yesAdvanced Materials, EarlyView.
High‐curvature carbon materials identified via machine learning and simulation can enhance the heat release and combustion performance of ammonium perchlorate. ABSTRACT The catalytic role of carbon curvature in the thermal decomposition of ammonium perchlorate (AP) remains largely unexplored. To address this gap, this study employs machine learning and
Dan Liu   +8 more
wiley   +1 more source

Artificial Intelligence‐Assisted Workflow for Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling

open access: yesAdvanced Materials, EarlyView.
AI‐Assisted Workflow for (Scanning) Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling. Abstract (Scanning) transmission electron microscopy ((S)TEM) has significantly advanced materials science but faces challenges in correlating precise atomic structure information with the functional properties of ...
Marc Botifoll   +19 more
wiley   +1 more source

LEAD: Literature Enhanced Ab Initio Discovery of Nitride Dusting Layers for Enhanced Tunnel Magnetoresistance and Lower Resistance Magnetic Tunnel Junctions

open access: yesAdvanced Materials, EarlyView.
Magnetic tunnel junctions (MTJs) using MgO tunnel barriers face challenges of high resistance‐area product and low tunnel magnetoresistance (TMR). To discover alternative materials, Literature Enhanced Ab initio Discovery (LEAD) is developed. The LEAD‐predicted materials are theoretically evaluated, showing that MTJs with dusting of ScN or TiN on ...
Sabiq Islam   +6 more
wiley   +1 more source

AI–Guided 4D Printing of Carnivorous Plants–Inspired Microneedles for Accelerated Wound Healing

open access: yesAdvanced Materials, EarlyView.
This work presents an artificial intelligence (AI)‐guided 4D‐printed microneedle platform inspired by carnivorous plants for wound healing. A thermo‐responsive shape memory polymer enables body temperature–triggered self‐coiling for autonomous wound closure.
Hyun Lee   +21 more
wiley   +1 more source

Characterization of Droplet Formation in Ultrasonic Spray Coating: Influence of Ink Formulation Using Phase Doppler Anemometry and Machine Learning

open access: yesAdvanced Materials Technologies, EarlyView.
This study explores how machine learning models, trained on small experimental datasets obtained via Phase Doppler Anemometry (PDA), can accurately predict droplet size (D32) in ultrasonic spray coating (USSC). By capturing the influence of ink complexity (solvent, polymer, nanoparticles), power, and flow rate, the model enables precise droplet control
Pieter Verding   +5 more
wiley   +1 more source

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