3 papers
cond-mat.mtrl-sci2026
Portfolio-Based Constrained Multi-Objective Bayesian Optimization for Materials Design
Sushant Sinha, Christofer Hardcastle, Robert Robinson +4
Materials discovery and design campaigns can be formulated as constrained multi-objective Bayesian optimization (CMOBO) problems, within which each experimental decision negotiates…
cond-mat.mtrl-sci2025
Good Enough is Better: Feasibility vs. Pareto-Optimality in Alloy Design
Cayden Maguire, Christofer Hardcastle, Trevor Hastings +2
In alloy design, the search for candidate materials is often framed as an optimization problem, with the goal of identifying Pareto-optimal solutions across multiple objectives. Ho…
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…