13 citations · 22 across the 10 of their papers we have counts for
12 papers
Agentic Resource Allocation for Batch Multi-Objective Bayesian Optimization in Autonomous Materials Discovery
Robert Robinson, Shakti Prasad Padhy, Sushant Sinha +6
The discovery and development of advanced materials is a challenging process constrained by the high time and monetary costs of synthesis, processing, and characterization. The und…
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…
Surrogate-Gated Generation and Foundation-Model Embeddings for Bayesian Materials Design
Sk Md Ahnaf Akif Alvi, Jan Janssen, Danny Perez +2
Closed-loop materials discovery iterates between proposing candidate structures and evaluating their properties, and property evaluation dominates the cost. In the generative varia…
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…
Deep Gaussian Process-based Cost-Aware Batch Bayesian Optimization for Complex Materials Design Campaigns
Sk Md Ahnaf Akif Alvi, Brent Vela, Vahid Attari +4
The accelerating pace and expanding scope of materials discovery demand optimization frameworks that efficiently navigate vast, nonlinear design spaces while judiciously allocating…
Data Driven Insights into Composition Property Relationships in FCC High Entropy Alloys
Nicolas Flores, Daniel Salas Mula, Wenle Xu +15
Structural High Entropy Alloys (HEAs) are crucial in advancing technology across various sectors, including aerospace, automotive, and defense industries. However, the scarcity of…
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…
Mapping of Microstructure Transitions during Rapid Alloy Solidification Using Bayesian-Guided Phase-Field Simulations
José Mancias, Brent Vela, Juan Flórez-Coronel +4
This study addresses microstructure selection mechanisms in rapid solidification, specifically targeting the transition from cellular/dendritic to planar interface morphologies und…
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…
Hierarchical Gaussian Process-Based Bayesian Optimization for Materials Discovery in High Entropy Alloy Spaces
Sk Md Ahnaf Akif Alvi, Jan Janssen, Danial Khatamsaz +3
Bayesian optimization (BO) is a powerful and data-efficient method for iterative materials discovery and design, particularly valuable when prior knowledge is limited, underlying f…
Illustrating an Effective Workflow for Accelerated Materials Discovery
Mrinalini Mulukutla, A. Nicole Person, Sven Voigt +26
Algorithmic materials discovery is a multi-disciplinary domain that integrates insights from specialists in alloy design, synthesis, characterization, experimental methodologies, c…
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…