3 papers
cond-mat.mtrl-sci2026
A BRAVE Alloy Design Campaign (Bayesian Risk-aware Alloy discoVery and Exploration)
Mrinalini Mulukutla, Danial Khatamsaz, Trevor Hastings +23
In constrained alloy optimization, the compositions with the highest performance potential often reside at the boundary of phase stability -- where the risk of experimental failure…
cond-mat.mtrl-sci2025
Physics-Informed Gaussian Process Classification for Constraint-Aware Alloy Design
Christofer Hardcastle, Ryan O Mullan, Raymundo Arroyave +1
Alloy design can be framed as a constraint-satisfaction problem. Building on previous methodologies, we propose equipping Gaussian Process Classifiers (GPCs) with physics-informed…
eess.SY2025
Towards Autonomous Experimentation: Bayesian Optimization over Problem Formulation Space for Accelerated Alloy Development
Danial Khatamsaz, Joseph Wagner, Brent Vela +2
Accelerated discovery in materials science demands autonomous systems capable of dynamically formulating and solving design problems. In this work, we introduce a novel framework t…