Results 221 to 230 of about 56,129 (265)

Bayesian optimization and machine learning for vaccine formulation development. [PDF]

PLoS One
Li L, Back SI, Ma J, Guo Y, Galeandro-Diamant T, Clénet D.   +5 more
europepmc   +1 more source

Uncertainty‐Guided Selective Adaptation Enables Cross‐Platform Predictive Fluorescence Microscopy

Advanced Intelligent Discovery, EarlyView.
Deep learning models often fail when transferred to new microscopes. A novel framework overcomes this by selectively adapting the early layers governing low‐level image statistics, while freezing deep layers that encode morphology. This uncertainty‐guided approach enables robust, label‐free virtual staining across diverse systems, democratizing ...
Kai‐Wen K. Yang, Andrew Bai, Alexandra Bermudez, Yunqi Hong, Zoe Latham, Iris Sloan, Michael Liu, Vishrut Goyal, Cho‐Jui Hsieh, Neil Y. C. Lin   +9 more
wiley   +1 more source

Generative Multiobjective Bayesian Optimization with Scalable Batch Evaluations for Sample-Efficient De Novo Molecular Design. [PDF]

Ind Eng Chem Res
Muthyala MR, Sorourifar F, Tan T, Peng Y, Paulson JA.   +4 more
europepmc   +1 more source

Large‐Scale Machine Learning to Screen for Small‐Molecule Senolytics

Advanced Intelligent Discovery, EarlyView.
A consistent workflow underpins all experiments in this study. A dedicated model‐selection dataset first identifies optimal hyperparameters for each algorithm. Models are then trained and rigorously evaluated on independent sets of molecules using the senolytic ratio SR. Comprehensive hyperparameter exploration across SMILES representations, task types,
Alexis Dougha, Jesus Gil, Pedro J. Ballester   +2 more
wiley   +1 more source

Automated Spectral Preprocessing via Bayesian Optimization for Chemometric Analysis of Milk Constituents. [PDF]

Foods
Babatunde HA, McDougal OM, Andersen T.
europepmc   +1 more source

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

Advanced 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, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

Bayesian optimization of capillary pressure data in hydraulic flow units using NMR. [PDF]

Sci Rep
Jehanzaib H, Zahoor MK, Haris M, Saleem Y, Ismail A.   +4 more
europepmc   +1 more source

Generative and Experimental Validation of High Refractive Index Polymers via Domain Knowledge Approach with Small Data

Advanced Intelligent Discovery, EarlyView.
This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo, Seigo Watanabe, Hana Matsunaga, Kenichi Oyaizu   +3 more
wiley   +1 more source

Tone Mapping of HDR Images via Meta-Guided Bayesian Optimization and Virtual Diffraction Modeling. [PDF]

Sensors (Basel)
Huang D, Zheng X, Li J, Zhan R, Dong J, Wen Y, Mao X, Chen Y, Chen Y.   +8 more
europepmc   +1 more source

Hyperparameter Optimization EM Algorithm via Bayesian Optimization and Relative Entropy. [PDF]

Entropy (Basel)
Zou D, Ma C, Wang P, Geng Y.
europepmc   +1 more source