Improving the prediction of bitumen’s density and thermal expansion by optimizing artificial neural networks with Optuna and TensorFlow

Previous work demonstrated that Random Forest Regressors (RFRs) could estimate the physical properties of bitumen using molecular descriptors derived from Molecular Dynamics (MD) simulations, thereby reducing the need for computationally intensive simulations. However, due to their decision-tree str...

Full description

Saved in:
Bibliographic Details
Main Authors: Eli I. Assaf, Xueyan Liu, Sandra Erkens
Format: Article
Language:English
Published: Elsevier 2025-12-01
Series:MethodsX
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2215016125003681
Tags: Add Tag
No Tags, Be the first to tag this record!