arXiv:2606. 28578v1 Announce Type: cross Abstract: Closed-loop materials discovery iterates between proposing candidate structures and evaluating their properties, and property evaluation dominates the cost.
By Sk Md Ahnaf Akif Alvi, Jan Janssen, Danny Perez, Douglas Allaire, Raymundo Arroyave
arXiv:2607. 29225v1 Announce Type: new Abstract: Bayesian Optimization (BO) is widely adopted for data-efficient optimization in scientific and engineering applications, yet its computational cost is rarely evaluated alongside optimization performance.
By Panagiotis Krokidas, Christoforos Rekatsinas, Vassilis Sioros, Grigorios M. Chatziathanasiou, Efi-Maria Papia, George Giannakopoulos
arXiv:2510. 07474v2 Announce Type: replace Abstract: When designing new materials, it is often necessary to design a material with specific desired properties.
By Shaan Pakala, Aldair E. Gongora, Brian Giera, Evangelos E. Papalexakis
arXiv:2607. 13688v1 Announce Type: new Abstract: Emerging sustainable materials increasingly rely on engineered hierarchy and microstructure to achieve control of their properties and mechanical behavior.
By J. Storm, I. B. C. M. Rocha, S. Schyck, K. Masania, F. P. van der Meer
arXiv:2608. 01431v1 Announce Type: cross Abstract: Polymer property prediction and inverse generative design targeting desired properties are two crucial tasks in machine learning-assisted polymer design.
By Charlie Pyle, Adarsh Gadari, C. Adrian Figg, Zhenquan Jia, Yaohang Li, Chunjiang Zhu
arXiv:2607. 07863v1 Announce Type: new Abstract: In physically dominated machining processes, experimental datasets are small, expensive, and material-specific; in this regime, data curation, evaluation design, and the form of physics integration can matter as much as the learning algorithm.
By Sarah Grewe, J\"org Frochte