arXiv Machine Learning By Alexandros Ntagiantas, Panagiotis Tsilimidos, George Giannakopoulos, Christoforos Rekatsinas, Panagiotis Krokidas

Active Learning Guided Design Space Refinement for Scalable Multi-Objective Bayesian Optimization in Materials Discovery

Read the original on arXiv Machine Learning →

arXiv:2608. 04651v1 Announce Type: new Abstract: Advanced materials discovery increasingly relies on machine learning and Bayesian optimization to explore large discrete design spaces under limited evaluation budgets.

Summary generated by The Flow from the publisher's feed. The full article lives at arXiv Machine Learning.

arXiv Machine Learning
Jun 2

Towards Automated Discovery: A Review of Generative Models, Multimodal Learning and Closed-Loop Workflows in Inverse Materials Design

arXiv:2606. 02507v1 Announce Type: cross Abstract: Inverse materials design is shifting materials discovery from forward prediction to targeted proposal of candidates that satisfy objectives under physical constraints.

By Anand Babu, Rog\'erio Almeida Gouv\^ea, Gian-Marco Rignanese