Results 221 to 230 of about 13,072 (311)

Interpretable Machine Learning for Bandgap Prediction and Descriptor‐Guided Design Rules of Phosphates

open access: yesAdvanced Intelligent Discovery, EarlyView.
An explainable CatBoost model was trained to predict the bandgaps of 474 phosphate crystals based on composition and density descriptors. SHAP analysis identified two key variables—d‐electron‐count dispersion and atomic‐density dispersion—as the primary drivers of the model's predictions.
Wenhu Wang   +3 more
wiley   +1 more source

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

open access: yesAdvanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi   +2 more
wiley   +1 more source

Seasonal patterns of DOM molecules are linked to microbial functions in the oligotrophic ocean. [PDF]

open access: yesmSystems
McParland EL   +14 more
europepmc   +1 more source

Multimodal Learning with Rashomon Analysis for Battery Discharge Capacity Prediction

open access: yesAdvanced Intelligent Discovery, EarlyView.
Multimodal fusion integrates composition, crystal‐structure, and radial‐distribution descriptors to predict battery discharge capacity. Rashomon analysis across near‐optimal models reveals that explanatory variation is structured rather than arbitrary, separating stable mechanistic signals from model‐contingent attributions and providing a more ...
Jue Gong   +4 more
wiley   +1 more source

Smart Denture with Embedded Thin‐Film Temperature Sensors Patterned by Femtosecond Laser Pulse for Elderly Healthcare

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
We demonstrate the direct‐laser patterning of a gold thin film on polymethyl methacrylate to fabricate a temperature sensor for dentures. The temperature sensor‐embedded smart dentures are evaluated in an oral environment, enabling in‐situ monitoring for elderly healthcare.
Han Ku Nam   +7 more
wiley   +1 more source

Deep Learning Approaches for Classifying Crack States With Overload and Predicting Fatigue Parameters in a Titanium Alloy

open access: yesAdvanced Intelligent Systems, EarlyView.
This study proposes a deep learning approach to evaluate the fatigue crack behavior in metals under overload conditions. Using digital image correlation to capture the strain near crack tips, convolutional neural networks classify crack states as normal, overload, or recovery, and accurately predict fatigue parameters.
Seon Du Choi   +5 more
wiley   +1 more source

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