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…
cs.LG2025
Accurate and Uncertainty-Aware Multi-Task Prediction of HEA Properties Using Prior-Guided Deep Gaussian Processes
Sk Md Ahnaf Akif Alvi, Mrinalini Mulukutla, Nicolas Flores +6
Surrogate modeling techniques have become indispensable in accelerating the discovery and optimization of high-entropy alloys(HEAs), especially when integrating computational predi…
cond-mat.mtrl-sci2025
Accelerated Multi-Objective Alloy Discovery through Efficient Bayesian Methods: Application to the FCC Alloy Space
Trevor Hastings, Mrinalini Mulukutla, Danial Khatamsaz +14
This study introduces BIRDSHOT, an integrated Bayesian materials discovery framework designed to efficiently explore complex compositional spaces while optimizing multiple material…