acta materialia
PolyMicros: Bootstrapping a Foundation Model for Polycrystalline Material Structure
Buzzy, Michael, Robertson, Andreas, Chen, Peng, Kalidindi, Surya
Recent advances in Foundation Models for Materials Science are poised to revolutionize the discovery, manufacture, and design of novel materials with tailored properties and responses. Although great strides have been made, successes have been restricted to materials classes where multi-million sample data repositories can be readily curated (e.g., atomistic structures). Unfortunately, for many structural and functional materials (e.g., mesoscale structured metal alloys), such datasets are too costly or prohibitive to construct; instead, datasets are limited to very few examples. To address this challenge, we introduce a novel machine learning approach for learning from hyper-sparse, complex spatial data in scientific domains. Our core contribution is a physics-driven data augmentation scheme that leverages an ensemble of local generative models, trained on as few as five experimental observations, and coordinates them through a novel diversity curation strategy to generate a large-scale, physically diverse dataset. We utilize this framework to construct PolyMicros, the first Foundation Model for polycrystalline materials (a structural material class important across a broad range of industrial and scientific applications). We demonstrate the utility of PolyMicros by zero-shot solving several long standing challenges related to accelerating 3D experimental microscopy. Finally, we make both our models and datasets openly available to the community.
Machine learning for better metals
When humans learned to extract metals from their ores and mix them into alloys such as bronze, brass and steel, technology took great leaps forward. Now researchers are turning to artificial intelligence to find the next generation of alloys. Scientists are already finding new alloys with increased strength and other improved features. A research team based in China have now published such discoveries in the journal Acta Materialia. Explaining the origins of their work, researcher Yanjing Su of the Beijing Advanced Innovation Center for Materials Genome Engineering cites as his inspiration the success of machine learning in mastering the strategy game Go.