PALM-Mean combines sign-aware piecewise-linear relaxations of locally important kernel terms with closed-form analytic bounds on the rest inside a reduced-space branch-and-bound framework, yielding valid lower bounds and ε-global convergence for GP posterior mean optimization.
Benchmarking the Performance of Bayesian Optimization across Multiple Experimental Materials Science Domains
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The paper introduces Experiment-as-Code Labs as a declarative stack synthesizing AI agents, systems orchestration, and physical lab control for AI-driven discovery.
Bayesian optimization automates the scientific discovery cycle by modeling observations with surrogate models and using acquisition functions to select experiments that balance known information with new exploration.
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An Efficient Spatial Branch-and-Bound Algorithm for Global Optimization of Gaussian Process Posterior Mean Functions
PALM-Mean combines sign-aware piecewise-linear relaxations of locally important kernel terms with closed-form analytic bounds on the rest inside a reduced-space branch-and-bound framework, yielding valid lower bounds and ε-global convergence for GP posterior mean optimization.
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Experiment-as-Code Labs: A Declarative Stack for AI-Driven Scientific Discovery
The paper introduces Experiment-as-Code Labs as a declarative stack synthesizing AI agents, systems orchestration, and physical lab control for AI-driven discovery.
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Efficient and Principled Scientific Discovery through Bayesian Optimization: A Tutorial
Bayesian optimization automates the scientific discovery cycle by modeling observations with surrogate models and using acquisition functions to select experiments that balance known information with new exploration.