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cond-mat.mtrl-sci2025
Physically-Constrained Autoencoder-Assisted Bayesian Optimization for Refinement of High-Dimensional Defect-Sensitive Single Crystalline Structure
Joseph Oche Agada, Andrew McAninch, Haley Day +6
Physical properties and functionalities of materials are dictated by global crystal structures as well as local defects. To establish a structure-property relationship, not only th…
cs.LG2025
Beyond Optimization: Exploring Novelty Discovery in Autonomous Experiments
Ralph Bulanadi, Jawad Chowdhury, Funakubo Hiroshi +4
Autonomous experiments (AEs) are transforming how scientific research is conducted by integrating artificial intelligence with automated experimental platforms. Current AEs primari…