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Chemistry Lab Automation via Constrained Task and Motion Planning

Published 19 Dec 2022 in cs.RO | (2212.09672v2)

Abstract: Chemists need to perform many laborious and time-consuming experiments in the lab to discover and understand the properties of new materials. To support and accelerate this process, we propose a robot framework for manipulation that autonomously performs chemistry experiments. Our framework receives high-level abstract descriptions of chemistry experiments, perceives the lab workspace, and autonomously plans multi-step actions and motions. The robot interacts with a wide range of lab equipment and executes the generated plans. A key component of our method is constrained task and motion planning using PDDLStream solvers. Preventing collisions and spillage is done by introducing a constrained motion planner. Our planning framework can conduct different experiments employing implemented actions and lab tools. We demonstrate the utility of our framework on pouring skills for various materials and two fundamental chemical experiments for materials synthesis: solubility and recrystallization.

Citations (2)

Summary

  • The paper demonstrates a novel integration of symbolic and motion planning to automate complex chemistry experiments, achieving high success rates in simulation.
  • It combines high-level task sequencing with low-level robotic control using PDDLStream, MoveIt!, OMPL, and Trac-IK to handle constraints and compute inverse kinematics.
  • Experimental evaluations on a Franka Emika Panda robot show improved planning efficiency and robust error recovery through integrated vision system feedback.

Chemistry Lab Automation via Constrained Task and Motion Planning

This paper addresses the problem of automating chemistry experiments using a robotic arm by integrating task and motion planning with constraints to determine the solubility of chemical compounds. It combines symbolic planning for high-level task sequencing with motion planning for low-level robotic actions, incorporating constraints to ensure the feasibility and safety of the planned actions.

Integrating Task and Motion Planning

The approach uses PDDLStream, integrating symbolic planners with blackbox samplers via optimistic adaptive planning, to generate a sequence of actions required to perform a chemistry experiment. The symbolic planner handles the high-level logic of the experiment, such as selecting appropriate tools and reagents. The motion planner, implemented using MoveIt! and OMPL, computes the robot's movements needed to execute these actions in the physical world. This integration allows the system to reason about both the task-level goals and the low-level motor skills required to achieve them.

Constraint Handling and Inverse Kinematics

The robot's motion planning is constrained by several factors, including avoiding collisions, maintaining proper tool orientations, and respecting joint limits. These constraints are handled using OMPL's constrained planning interface and custom constraint samplers. To determine the robot's joint angles required to achieve desired end-effector poses, the Trac-IK library is used for inverse kinematics. This library provides an efficient and robust way to solve the inverse kinematics problem, allowing the robot to reach specific locations and orientations in the workspace.

Experimental Setup and Evaluation

The proposed method was evaluated in a simulated chemistry lab environment using a Franka Emika Panda robot arm. The experiments involved determining the solubility of various chemical compounds by performing a series of actions such as transferring liquids, mixing solutions, and measuring turbidity. The system's performance was measured in terms of success rate and planning time. The results show that the approach can successfully automate complex chemistry experiments while respecting the imposed constraints. The evaluation includes a comparison against baseline methods, demonstrating the benefits of the integrated task and motion planning approach.

Vision System Integration

A key aspect of the system is its ability to perceive the state of the lab environment using computer vision. The vision system, based on techniques for transparent object perception, allows the robot to identify and locate objects such as beakers, vials, and stirrers. This information is used to update the world state in the symbolic planner and to guide the motion planning process. The integration of vision enables the robot to adapt to changes in the environment and to recover from errors.

Implications and Future Directions

The paper demonstrates a promising approach to automating chemistry experiments using robots. This has significant implications for accelerating scientific discovery and reducing the cost and time required to perform experiments. Future research directions include extending the system to handle more complex chemical reactions, improving the robustness of the vision system, and incorporating machine learning techniques to optimize the planning process. The development of self-driving labs has the potential to transform the way chemistry and materials science research is conducted, enabling scientists to explore a wider range of experimental conditions and to discover new materials and reactions more quickly.

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