Results 61 to 70 of about 4,344 (219)

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

Advanced 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, Abudukadi Tudi, Ran An, Zhihua Yang   +3 more
wiley   +1 more source

Advanced Sleep Disorder Classification: An ML-Based Study with Optuna for Model Optimization [PDF]

Hyperparameter optimization plays a crucial role in improving the performance of machine learning models, particularly in sleep disorder classification.
Andini, Nurul, Gaib, Amalan Fadil, Mahayudha, I Gusti Ngurah Bagus Ferry, Wijaya, Anggito Karta, Royan, Ando Zamhariro   +4 more
core   +4 more sources

Catalyst‐Specialized Chemical Language Model Based on Transformer Variational Autoencoder for Catalyst Design and Discovery

Advanced Intelligent Discovery, EarlyView.
We present CatTransVAE, a catalyst‐specialized chemical language model (CLM) built on a transformer variational autoencoder (VAE), developed through pretraining on general compounds followed by fine‐tuning on diverse catalyst databases. A template‐guided generation framework is introduced to enable controlled catalyst design under structural ...
Apakorn Kengkanna, Masahito Ohue
wiley   +1 more source

Multicenter Validation of Machine Learning Models for Predicting Myopia Progression Across School‐Based Screening and Optical Intervention Settings in Chinese Children and Adolescents

Advanced Intelligent Discovery, EarlyView.
Machine‐learning models predict myopia trajectories from 12 routine ocular variables in 40 445 children across 10 hospitals. Externally validated across school‐based screening and optical‐intervention settings, the best models achieve AUROC 0.97 for myopia status and R2 0.83 for spherical equivalent, enabling personalized risk stratification to curb ...
Yitong Zhang, Mingxuan Liu, Yifei Chen, Ying Wu, Lijun Zhang, Mengyao Guo, Yulan Yan, Runmei Wei, Zihan Cui, Peng Luo, Fang Chen, Bo Yang, Youcang Han, Xiaoyang Liu, Qiyuan Tian   +14 more
wiley   +1 more source

Efficient Hyperparameter Optimization for Reference Evapotranspiration Estimation with Limited Parameters: A Comparison of Optuna and Grid Search in the Doukkala Region, Morocco [PDF]

E3S Web of Conferences
Accurate estimation of reference evapotranspiration (ETo) is essential for irrigation scheduling and water resource management, particularly in semi-arid regions where meteorological data are often limited.
Belarbi Zaid, El Younoussi Yacine
doaj   +1 more source

Comparative Analysis of Hyperparameter Optimization Using Optuna and Hyperopt for Convolutional Neural Networks

Современные информационные технологии и IT-образование
The process of training a neural network model is controlled by selecting optimal hyperparameters, which have a significant impact on its quality and performance. This impact has been confirmed both theoretically and empirically by numerous studies.
Tatyana Samoilova
doaj   +1 more source

U‐Net‐Based Prediction of Concealed Volume Loss in AZ31 From Optical Corrosion Imprints and As‐Exposed Surface Topography

Advanced Intelligent Discovery, EarlyView.
How much material loss is concealed beneath a layer of corrosion products? This proof‐of‐concept study demonstrates how concealed volume loss is inferred from the optical appearance and as‐exposed surface topography of AZ31 corrosion imprints. By predicting postcleaning depth maps, a multimodal U‐Net model estimates hidden volume loss without chromic ...
Lars Dammann, Ci Song, Bahram Vaghefinazari, Tim Würger, Anna Lisitsyna, Shadi Albarqouni, Mikhail L. Zheludkevich, Sviatlana V. Lamaka, Christian Feiler   +8 more
wiley   +1 more source

Analysis of Ruddlesden‐Popper and Dion‐Jacobson 2D Lead Halide Perovskites Through Integrated Experimental and Computational Analysis

Battery Energy, Volume 4, Issue 2, March 2025.
Optimized ML framework for predicting RP and Dj phases in perovskite solar cells. ABSTRACT Two‐dimensional (2D) lead halide perovskites (LHPs) have captured a range of interest for the advancement of state‐of‐the‐art optoelectronic devices, highly efficient solar cells, next‐generation energy harvesting technologies owing to their hydrophobic nature ...
Basir Akbar, Kil To Chong, Hilal Tayara
wiley   +1 more source

OPTIMASI HYPERPARAMETER PADA XGBOOST UNTUK PREDIKSI KUALITAS UDARA DI KOTA URBAN INDONESIA

Jurnal Dialektika Informatika
Polusi udara di kota-kota urban Indonesia telah menjadi tantangan lingkungan kritis dengan dampak serius terhadap kesehatan publik dan keberlanjutan ekosistem. Maka pengembangan sistem prediksi kualitas udara yang cepat dan akurat (seperti Indeks Standar
Moeng Sakmar, Emha Diambang Ramadhany, Siti Hartinah, Rizky Andhika Surya   +3 more
doaj   +1 more source

A Semi‐Automated Microfluidic Platform Employing Machine Learning Analysis to Study Adhesion Kinetics in Acute Myeloid Leukemia

Microscopy Research and Technique, EarlyView.
We have developed a semi‐automated shear flow platform using bright‐field optics and a machine‐learning analysis algorithm to dissect tumor‐microenvironment interactions. The algorithm quantifies the extent of adhesion at the single‐cell level and delivers consistent results within minutes instead of hours, facilitating high‐throughput analysis ...
Driti Ashok, Dennis Raith, Gabriel Kalweit, Maria Kalweit, Anusha Klett, Justus Duyster, Jonas Bermeitinger, Tanja Nicole Hartmann   +7 more
wiley   +1 more source