Results 271 to 280 of about 46,859 (313)

Limitations of Foundation Models in Energy Materials Simulations: A Case Study in Polyanion Sodium Cathode Materials

Advanced Intelligent Discovery, EarlyView.
Several simulation techniques are used to explore static and dynamic behavior in polyanion sodium cathode materials. The study reveals that universal machine learning interatomic potentials (MLIPs) struggle with system‐specific chemistry, emphasizing the need for tailored datasets.
Martin Hoffmann Petersen, Chiku Parida, Jonas Busk, Jin Hyun Chang, Arghya Bhowmik, Juan Maria Garcia Lastra   +5 more
wiley   +1 more source

EdgeVolution: democratizing multi-objective neural architecture search and end-to-end deployment on microcontrollers. [PDF]

Commun Eng
Groh R, Dendorfer S, Ávila Pava M, Egle F, Zimmermann S, Kist AM.   +5 more
europepmc   +1 more source

Toward Knowledge‐Guided AI for Inverse Design in Manufacturing: A Perspective on Domain, Physics, and Human–AI Synergy

Advanced Intelligent Discovery, EarlyView.
This perspective highlights how knowledge‐guided artificial intelligence can address key challenges in manufacturing inverse design, including high‐dimensional search spaces, limited data, and process constraints. It focused on three complementary pillars—expert‐guided problem definition, physics‐informed machine learning, and large language model ...
Hugon Lee, Hyeonbin Moon, Junhyeong Lee, Seunghwa Ryu   +3 more
wiley   +1 more source

A manta ray-bayesian optimization approach for hyperparameter-tuned convolutional neural networks in lung cancer classification. [PDF]

Sci Rep
Samal S, Sunder S, Gadekellu TR, Yagin FH, Shawi RE, Ahmed N.   +5 more
europepmc   +1 more source

Accelerating Primary Screening of USP8 Inhibitors from Drug Repurposing Databases with Tree‐Based Machine Learning

Advanced Intelligent Discovery, EarlyView.
This study introduces a tree‐based machine learning approach to accelerate USP8 inhibitor discovery. The best‐performing model identified 100 high‐confidence repurposable compounds, half already approved or in clinical trials, and uncovered novel scaffolds not previously studied. These findings offer a solid foundation for rapid experimental follow‐up,
Yik Kwong Ng, Sharon Ai Er Lam, Wei Chun Lim, Hannah Hui Min Toh, Shi Jun Ang   +4 more
wiley   +1 more source

Enhanced Dhole Optimization Algorithm for hyperparameter tuning of a TCN-BiGRU-MHA hybrid architecture for wind power forecasting. [PDF]

Sci Rep
Lale T.
europepmc   +1 more source

Machine Learning‐Driven Prediction of Co2 Solubility in Ionic Liquid: A Comparative Analysis Using Shap and Hyperparameter Optimization

Dipak Rana, Kalyan Dhar
openalex   +1 more source

PARALLEL GENETIC ALGORITHM–ENHANCED HYPERPARAMETER AND FEATURE OPTIMIZATION FOR LARGE-SCALE CLASSIFICATION IN APACHE SPARK MLLIB

Muhammadiyeva Niginabonu, Xakimov Artyom, Yan Jiajie   +2 more
openalex   +1 more source

Machine Learning-Based Prediction of Polymer Properties Using Structure-Property Relationship Modeling. [PDF]

Polymers (Basel)
Rahman MH, Arifuzzaman M, Haque ME, Naidu RS, Hoque ME, Martuza MA.   +5 more
europepmc   +1 more source

Metaheuristic Hyperparameter Optimization and Explainable Deep Learning for Baggage Threat Detection

Andino Maseleno, Miftachul Huda, Ahmad Fudholi, Chotirat Ann Ratanamahatana   +3 more
openalex   +2 more sources