Autonomous robotic nanofabrication with reinforcement learning
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Abstract (arXiv)
The ability to handle single molecules as effectively as macroscopic building-blocks would enable the construction of complex supramolecular structures inaccessible to self-assembly. The fundamental challenges obstructing this goal are the uncontrolled variability and poor observability of atomic-scale conformations. Here, we present a strategy to work around both obstacles, and demonstrate autonomous robotic nanofabrication by manipulating single molecules. Our approach employs reinforcement learning (RL), which finds solution strategies even in the face of large uncertainty and sparse feedback. We demonstrate the potential of our RL approach by removing molecules autonomously with a scanning probe microscope from a supramolecular structure -- an exemplary task of subtractive manufacturing at the nanoscale. Our RL agent reaches an excellent performance, enabling us to automate a task which previously had to be performed by a human. We anticipate that our work opens the way towards autonomous agents for the robotic construction of functional supramolecular structures with speed, precision and perseverance beyond our current capabilities.
Key facts. Cited by 8 papers in the map (data through 14 Oct 2026). First posted on arXiv 27 Feb 2020.
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Citing papers per year: 2021: 2; 2022: 1; 2023: 0; 2024: 2; 2025: 3.
8 papers.
- 2022SchNetPack 2.0: A neural network toolbox for atomistic machine learningcited by 29
- 2024Integration of Scanning Probe Microscope with High-Performance Computing: fixed-policy and reward-driven workflows implementationcited by 6
- 2021BIGDML: Towards Exact Machine Learning Force Fields for Materialscited by 5
- 2021Designing Composites with Target Effective Young's Modulus using Reinforcement Learningcited by 3
- 2025Mic-hackathon 2024: Hackathon on Machine Learning for Electron and Scanning Probe Microscopycited by 1
- 2024AI-Guided Molecular Simulations in VR: Exploring Strategies for Imitation Learning in Hyperdimensional Molecular Systemscited by 0
- 2025Automated Construction of Artificial Lattice Structures with Designer Electronic Statescited by 0
- 2025Generative Image Restoration and Super-Resolution using Physics-Informed Synthetic Data for Scanning Tunneling Microscopycited by 0
- 2025Generative Image Restoration and Super-Resolution using Physics-Informed Synthetic Data for Scanning Tunneling Microscopy29 Oct 2025
- 2025Automated Construction of Artificial Lattice Structures with Designer Electronic States4 Aug 2025
- 2025Mic-hackathon 2024: Hackathon on Machine Learning for Electron and Scanning Probe Microscopy10 Jun 2025
- 2024AI-Guided Molecular Simulations in VR: Exploring Strategies for Imitation Learning in Hyperdimensional Molecular Systems11 Sep 2024
- 2024Integration of Scanning Probe Microscope with High-Performance Computing: fixed-policy and reward-driven workflows implementation20 May 2024
- 2022SchNetPack 2.0: A neural network toolbox for atomistic machine learning11 Dec 2022
- 2021Designing Composites with Target Effective Young's Modulus using Reinforcement Learning7 Oct 2021
- 2021BIGDML: Towards Exact Machine Learning Force Fields for Materials8 Jun 2021