Optimal Resource Utilization for Autonomous Laboratory Orchestrators

In autonomous laboratories, AI agents suggest the next batch of experiments to do. However, planning and executing those tasks taking full advantage of the available resources is a completely different question. This can be challenging when dealing with real-world hardware constraints, especially so when there are multiple instruments with different capacities and throughputs. Here we demonstrate a 2-step method to address resource utilization for our autonomous platform for metal-organic framework synthesis. First, we use constraint programming to find optimal schedules. This finds schedules that minimizes the total time while still satisfying the limitations and capacities of the hardware. Secondly, we use a system of status dependencies for each task, which allows for the robust execution of the optimal schedules.

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References (8)

02Resource - A component of the platform that gets used as part of the workflow. Each resource has constraints related to its use, including the number of samples it can handle at one time
03UnitOP - short for unit operation, the function that executes a task
04The CP-SAT Primer: Using and Understanding Google OR-Tools’ CP-SAT SolverTechnische Universität Braunschweig, Braunschweig, Germany
05Consumable - Items that a job uses that are single use (at least within the context of a campaign). Theseinclude precursors (chemicals, reactants, and other types of feedstock), as well as other items that used in the reaction such as sample containers, pipette tips
06Job - a job is an entire experiment, potentially consisting of many tasks and using several resourcescomplete synthesis of one sample
07Task - some action within a job, typically only requiring the use of one resource
08Campaign - A singular research effort containing multiple experiments all with a defined scientific goal and search spacediscovering the synthesis landscape for a particular MOF

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