arXiv Machine Learning By Yu Liu, Stanislav Udovenko, Ching-Che Lin, Jaegyu Kim, Lane W. Martin, Susan Trolier-McKinstry, Sergei V. Kalinin

Closed-loop discovery of out-of-distribution processing protocols by evolutionary search and uncertainty-aware learning

Read the original on arXiv Machine Learning →

arXiv:2606. 13859v1 Announce Type: cross Abstract: Many materials and chemical systems exhibit history-dependent responses, where functional outcomes are governed not only by final-state variables but by the time-dependent sequence of fields, temperatures, or chemical potentials applied during operation.

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
Hugging Face Trending Papers
Jul 20

Chemical filters for ultra-high-throughput materials screening and generation

Generative artificial intelligence is rapidly transforming materials design by enabling de novo exploration of immense chemical spaces. Yet a large proportion of AI-generated compositions remain implausible, violating established chemical principles, which limits the reliability and interpretability of generative materials design.