AIChE Journal, EarlyView.Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim +2 more
wiley +1 more source
EdgeVolution: democratizing multi-objective neural architecture search and end-to-end deployment on microcontrollers. [PDF]
Commun EngGroh R +5 more
europepmc +1 more source
Automated generative process synthesis via transformer‐based dual‐loop simulation and optimization
AIChE Journal, EarlyView.Abstract This study presents a novel framework for automated generative process synthesis, addressing the complexity of simultaneously optimizing discrete topologies and continuous operating variables. To overcome conventional superstructure limitations, we propose a dual‐loop architecture integrating generative transformers with rigorous process ...
Yeong Woo Son +4 more
wiley +1 more source
A manta ray-bayesian optimization approach for hyperparameter-tuned convolutional neural networks in lung cancer classification. [PDF]
Sci RepSamal S +5 more
europepmc +1 more source
Enhanced Dhole Optimization Algorithm for hyperparameter tuning of a TCN-BiGRU-MHA hybrid architecture for wind power forecasting. [PDF]
Sci RepLale T.
europepmc +1 more source
Machine Learning-Based Prediction of Polymer Properties Using Structure-Property Relationship Modeling. [PDF]
Polymers (Basel)Rahman MH +5 more
europepmc +1 more source
When Is an LLM Worth It for Hyperparameter Optimization? A Budget-Matched Study on Tabular Data Finds the Warm-Start Is a Default Configuration, Not the Model [PDF]
Carson Rodrigues +3 more
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