arXiv (Cornell University)
Reward driven discovery of the optimal microstructure representations with invariant variational autoencoders
September 2025 • Boris N. Slautin, Kamyar Barakati, Hiroshi Funakubo, Maxim Ziatdinov, Vladimir V. Shvartsman, Doru C. Lupascu, Sergei V. Kalinin
Microscopy techniques generate vast amounts of complex image data that in principle can be used to discover simpler, interpretable, and parsimonious forms to reveal the underlying physical structures, such as elementary building blocks in molecular systems or order parameters and phases in crystalline materials. Variational Autoencoders (VAEs) provide a powerful means of constructing such low-dimensional representations, but their performance heavily depends on multiple non-myopic design choices, which are often o…