Failure-avoidance bayesian optimization with failure-boundary search for automatic exploration of digging control parameters. [PDF]
Koyama M, Ishikawa M.
europepmc +1 more source
A sequential deep learning framework is developed to model surface roughness progression in multi‐stage microneedle fabrication. Using real‐world experimental data from 3D printing, molding, and casting stages, an long short‐term memory‐based recurrent neural network captures the cumulative influence of geometric parameters and intermediate outputs ...
Abdollah Ahmadpour +5 more
wiley +1 more source
Bayesian Optimization for Multicomponent Supramolecular Systems. [PDF]
Jansen SAH +7 more
europepmc +1 more source
The Necessity of Dynamic Workflow Managers for Advancing Self‐Driving Labs and Optimizers
We assess the maturity and integration readiness of key methodologies for Materials Acceleration Platforms, highlighting the need for dynamic workflow managers. Demonstrating this, we integrate PerQueue into a color‐mixing robot, showing how flexible orchestration improves coordination and optimization.
Simon K. Steensen +6 more
wiley +1 more source
Experiment-Driven Gaussian Process Surrogate Modeling and Bayesian Optimization for Multi-Objective Injection Molding. [PDF]
Omar HM, Mukras SMS.
europepmc +1 more source
Imprecise Bayesian optimization
Julian Rodemann, Thomas Augustin 0001
openaire +2 more sources
Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley +1 more source
Validation of Dynamic Bayesian Optimization for a Non-Stationary Human-in-the-Loop Optimization Problem. [PDF]
Kim G, Sergi F.
europepmc +1 more source
Deep Learning‐Assisted Design of Mechanical Metamaterials
This review examines the role of data‐driven deep learning methodologies in advancing mechanical metamaterial design, focusing on the specific methodologies, applications, challenges, and outlooks of this field. Mechanical metamaterials (MMs), characterized by their extraordinary mechanical behaviors derived from architected microstructures, have ...
Zisheng Zong +5 more
wiley +1 more source
Accelerated discovery of highly active enzyme nanohybrids with parallelized Bayesian optimization in hybrid space. [PDF]
Liu Y +8 more
europepmc +1 more source

