Results 51 to 60 of about 288,690 (232)

Active Learning‐Accelerated Discovery of Fibrous Hydrogels with Tissue‐Mimetic Viscoelasticity

Advanced Functional Materials, EarlyView.
Active learning accelerates the design of fibrous hydrogels that mimic the viscoelasticity of native tissues. By integrating multi‐objective optimization and closed‐loop experimentation, this approach efficiently identifies optimal formulations from thousands of possibilities and decouples elasticity and viscosity. The resulting hydrogels offer tunable
Zhengkun Chen, Zheyuan Miao, Gary Tom, Austin H. Cheng, Elizaveta Gusarova, Benjamen Zondag, Tianyi Wu, Dianoosh Kalhori, Boris Hinz, Milad Abolhasani, Alán Aspuru‐Guzik, Eugenia Kumacheva   +11 more
wiley   +1 more source

Optimizing Bayesian optimization

, 2018
We are concerned primarily with improving the practical applicability of Bayesian optimization. We make contributions in three key areas. We develop an intuitive online stopping criterion, allowing only as many steps as necessary to achieve the desired target to be taken. By combining this with intelligent online switching between acquisition functions
openaire   +3 more sources

Preferential Bayesian Optimization

, 2017
Bayesian optimization (BO) has emerged during the last few years as an effective approach to optimizing black-box functions where direct queries of the objective are expensive. In this paper we consider the case where direct access to the function is not possible, but information about user preferences is.
Javier González 0002, Zhenwen Dai, Andreas C. Damianou, Neil D. Lawrence   +3 more
openaire   +3 more sources

Bayesian inference with optimal maps [PDF]

Journal of Computational Physics, 2012
66 pages, 26 figures. Minor revisions and improvements throughout.
El Moselhy, Tarek A., Marzouk, Youssef M.   +1 more
openaire   +4 more sources

Machine Learning‐Assisted Inverse Design of Soft and Multifunctional Hybrid Liquid Metal Composites

Advanced Functional Materials, EarlyView.
A machine learning framework is presented for inverse design of synthesizable multifunctional composites containing both liquid metal and solid inclusions. By integrating physics‐based modeling, data‐driven prediction, and Bayesian optimization, the approach enables intelligent design of experiments to identify optimal compositions and realize these ...
Lijun Zhou, Yunsik Ohm, Ren‐Mian Chin, Olivia Kerr, Krithika Manohar, Mohammad H. Malakooti   +5 more
wiley   +1 more source

Bilevel Optimization by Conditional Bayesian Optimization

Bilevel optimization problems have two decision-makers: a leader and a follower (sometimes more than one of either, or both). The leader must solve a constrained optimization problem in which some decisions are made by the follower. These problems are much harder to solve than those with a single decision-maker, and efficient optimal algorithms are ...
Vedat Dogan, Steven D. Prestwich
openaire   +3 more sources

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

Advanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu, Hsi‐wen Wu, Xiao Wang, Jie Zhang   +3 more
wiley   +1 more source

Chiral scatterers designed by Bayesian optimization

, 2018
The helicity or chirality of scattered light is strongly linked to the dual symmetry of the scatterer. The latter depends on chiral materials or on scatterers which are not superimposable with their mirror image.
Burger, Sven, Gutsche, Philipp, Nieto-Vesperinas, Manuel, Schneider, Philipp-Immanuel   +3 more
core   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

Superionic Amorphous Li2ZrCl6 and Li2HfCl6

Advanced Materials, EarlyView.
Amorphous Li2HfCl6 and L2ZrCl6 are shown to be promising solid‐state electrolytes with predicted ionic conductivities >20 mS·cm−1. Molecular dynamics simulations with machine‐learning force fields reveal that anion vibrations and flexible MCl6 octahedra soften the Li coordination cage and enhance mobility. Correlation between Li‐ion diffusivity and the
Shukai Yao, De‐en Jiang
wiley   +1 more source