arXiv Machine Learning By Paul Hagemann, Katharina Ueltzen, Simon M\"uller, Janine George, Philipp Benner

Representations from Pretrained Machine-Learning Interatomic Potentials as Coarse Coordinates for Material Generation and Evaluation

Read the original on arXiv Machine Learning →

arXiv:2607. 28776v1 Announce Type: new Abstract: Generative machine learning is increasingly used for inorganic crystal structure generation.

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