Results 131 to 140 of about 288,690 (232)

Factorization Machine‐Based Active Learning for Functional Materials Design with Optimal Initial Data

Advanced Intelligent Discovery, EarlyView.
This work investigates the optimal initial data size for surrogate‐based active learning in functional material optimization. Using factorization machine (FM)‐based quadratic unconstrained binary optimization (QUBO) surrogates and averaged piecewise linear regression, we show that adequate initial data accelerates convergence, enhances efficiency, and ...
Seongmin Kim, In‐Saeng Suh
wiley   +1 more source

Accelerate Flash Removal of PFAS from Soil by Human-Guided Bayesian Optimization and Interpretable Machine Learning. [PDF]

ACS Nano
Qin J, Cheng Y, Malinda J, Zhao Y, Tour JM, Lin J.   +5 more
europepmc   +1 more source

FastCat: Autonomous Discovery of Multielement Layered Double Hydroxide Alloy Catalysts for Alkaline Oxygen Evolution Reaction

Advanced Intelligent Discovery, EarlyView.
A machine learning‐guided self‐driving laboratory screened over 500 nickel‐based layered double‐hydroxide catalysts for alkaline oxygen evolution. Out of the eight metals, the robot uncovered a quaternary Ni–Fe–Cr–Co catalysts requiring only 231 mV overpotential to reach 20 mA cm−2.
Nis Fisker‐Bødker, Enzo Raffaele Moretti, Jin Hyun Chang, Tejs Vegge   +3 more
wiley   +1 more source

Bayesian Exploration of Metal‐Organic Framework‐Derived Nanocomposites for High‐Performance Supercapacitors

Advanced Intelligent Discovery, EarlyView.
An AI‐assisted approach is introduced to decode synthesis–performance relationships in metal‐organic framework‐derived supercapacitor materials using Bayesian optimization and predictive modeling, streamlining the search for optimal energy storage properties.
David Gryc, Pritam Banerjee, Felipe Jacques Lima Duarte, Joerg R. Jinschek, Premkumar Murugesan, Babak Rezaei, Stephan Sylvest Keller, Roland A. Fischer, Mian Zahid Hussain   +8 more
wiley   +1 more source

Autonomous Bayesian Optimization-Based Control System for Droplet Generation. [PDF]

Small Methods
Cho S, Kim H, Shin S, Lee M, Lee J.
europepmc   +1 more source

Advances in Thermal Modeling and Simulation of Lithium‐Ion Batteries with Machine Learning Approaches

Advanced Intelligent Discovery, EarlyView.
Heat generation in lithium‐ion batteries affects performance, aging, and safety, requiring accurate thermal modeling. Traditional methods face efficiency and adaptability challenges. This article reviews machine learning‐based and hybrid modeling approaches, integrating data and physics to improve parameter estimation and temperature prediction ...
Qi Lin, Kang Fu, Junjie Ding, Kai Sun, Peng Tan   +4 more
wiley   +1 more source

Interpretable Bayesian optimization for catalyst discovery.

Faraday Discuss
Nair AS, Foppa L, Scheffler M.
europepmc   +1 more source

Optimized CNN framework with VGG19, EfficientNet, and Bayesian optimization for early colon cancer detection. [PDF]

Sci Rep
Rahman T, Deb N, Larguech S, Moniruzzaman M, Kumer Ghosh A, Ahmed Sami A, Abd Aziz AB, Salem Al-Bawri S.   +7 more
europepmc   +1 more source

Taguchi–Bayesian Sampling: A Roadmap for Polymer Database Construction Toward Small Representative Machine Learning

Advanced Intelligent Discovery, EarlyView.
This article establishes a Taguchi–Bayesian sampling strategy to reconstruct polymer processing–property landscape at minimal sampling cost, generically building the roadmap for materials database construction from sampling their vast design space. This sampling strategy is featured by an alternating lesson between uniformity and representativeness ...
Han Liu, Liantang Li
wiley   +1 more source

Part-level 3D shape generation driven by user intention inference with preferential Bayesian optimization. [PDF]

Sci Rep
Lee SW, Choi J, Hyun KH.
europepmc   +1 more source