Abstract Atomic-level qubits in silicon are attractive candidates for large-scale quantum computing; however, their quantum properties and controllability are sensitive to details such as the number of donor atoms comprising a qubit and their precise location. This work combines machine learning techniques with million-atom simulations of scanning tunnelling microscopic (STM) images of dopants to formulate a theoretical framework capable of determining the number of dopants at a particular qubit location and their positions with exact lattice site precision. A convolutional neural network (CNN) was trained on 100,000 simulated STM images, acquiring a characterisation fidelity (number and absolute donor positions) of >98% over a set of 17,600 test images including planar and blurring noise commensurate with experimental measurements. The formalism is based on a systematic symmetry analysis and feature-detection processing of the STM images to optimise the computational efficiency. The technique is demonstrated for qubits formed by single and pairs of closely spaced donor atoms, with the potential to generalise it for larger donor clusters. The method established here will enable a high-precision post-fabrication characterisation of dopant qubits in silicon, with high-throughput potentially alleviating the requirements on the level of resources required for quantum-based characterisation, which will otherwise be a challenge in the context of large qubit arrays for universal quantum computing.
Abstract Atomic-level qubits in silicon are attractive candidates for large-scale quantum computing; however, their quantum properties and controllability are sensitive to details such as the number of donor atoms comprising a qubit and their precise location. This work combines machine learning techniques with million-atom simulations of scanning tunnelling microscopic (STM) images of dopants to formulate a theoretical framework capable of determining the number of dopants at a particular qubit location and their positions with exact lattice site precision. A convolutional neural network (CNN) was trained on 100,000 simulated STM images, acquiring a characterisation fidelity (number and absolute donor positions) of >98% over a set of 17,600 test images including planar and blurring noise commensurate with experimental measurements. The formalism is based on a systematic symmetry analysis and feature-detection processing of the STM images to optimise the computational efficiency. The technique is demonstrated for qubits formed by single and pairs of closely spaced donor atoms, with the potential to generalise it for larger donor clusters. The method established here will enable a high-precision post-fabrication characterisation of dopant qubits in silicon, with high-throughput potentially alleviating the requirements on the level of resources required for quantum-based characterisation, which will otherwise be a challenge in the context of large qubit arrays for universal quantum computing.
Donor-based qubits in silicon, manufactured using scanning tunneling microscope (STM) lithography, provide a promising route to realizing full-scale quantum computing architectures. This is due to the precision of donor placement, long coherence times, and scalability of the silicon material platform. The properties of multiatom quantum dot qubits, however, depend on the exact number and location of the donor atoms within the quantum dots. In this work, we develop machine learning techniques that allow accurate and real-time prediction of the donor number at the qubit site during STM patterning. Machine learning image recognition is used to determine the probability distribution of donor numbers at the qubit site directly from STM images during device manufacturing. Models in excess of 90% accuracy are found to be consistently achieved by mitigating overfitting through reduced model complexity, image preprocessing, data augmentation, and examination of the intermediate layers of the convolutional neural networks. The results presented in this paper constitute an important milestone in automating the manufacture of atom-based qubits for computation and sensing applications.
Donor spin qubits in silicon offer one- and two-qubit gates with fidelities beyond 99%, coherence times exceeding 30 seconds, and compatibility with industrial manufacturing methods. This motivates the development of large-scale quantum processors using this platform, and the ability to automatically tune and operate such complex devices. In this work, we present the first machine learning algorithm with the ability to automatically locate the charge transitions of an ion-implanted donor in a silicon device, tune single-shot charge readout, and identify the gate voltage parameters where tunnelling rates in and out the donor site are the same. The entire tuning pipeline is completed on the order of minutes. Our results enable both automatic characterisation and tuning of a donor in silicon devices faster than human experts.
Quantum computers require high-fidelity measurement of many qubits to achieve a quantum advantage. Traditional approaches suffer from readout crosstalk for a neutral-atom quantum processor with a tightly spaced array. Although classical machine learning algorithms based on convolutional neural networks can improve fidelity, they are computationally expensive, making it difficult to scale them to large qubit counts. We present two simpler and scalable machine learning algorithms that realize matched filters for the readout problem. One is a local model that focuses on a single qubit, and the other uses information from neighboring qubits in the array to prevent crosstalk among the qubits. We demonstrate error reductions of up to 32% and 43% for the site and array models, respectively, compared to a conventional Gaussian threshold approach. Additionally, our array model uses two orders of magnitude fewer trainable parameters and four orders of magnitude fewer multiplications and nonlinear function evaluations than a recent convolutional neural network approach, with only a minor (3.5%) increase in error across different readout times. Another strength of our approach is its physical interpretability: the learned filter can be visualized to provide insights into experimental imperfections. We also show that a convolutional neural network model for improved can be pruned to have 70x and 4000x fewer parameters, respectively, while maintaining similar errors. Our work shows that simple machine learning approaches can achieve high-fidelity qubit measurements while remaining scalable to systems with larger qubit counts.
Configurable arrays of optically trapped Rydberg atoms are a versatile platform for quantum computation and quantum simulation, also allowing controllable decoherence. We demonstrate theoretically that they also enable proof-of-principle demonstrations for a technique to build models for open quantum dynamics using machine learning with artificial neural networks, recently proposed by Mukherjee et al. [Quantum Sci. Technol. 10, 02LT01 (2025)]. Using the outcome of quantum transport through a network of sites that correspond to excited Rydberg atoms, the multistage neural-network algorithm successfully identifies the number of atoms (or nodes in the network) and, subsequently, their location. It further extracts an effective interaction Hamiltonian and decoherence operators induced by the environment. To probe the Rydberg array, one initiates dynamics repeatedly from the same initial state and then measures the transport probability to an output atom. Large datasets are generated by varying the position of the latter. Measurements are required in only one single basis, making the approach complementary to, e.g., quantum process tomography. Due to steeply increasing requirements for training data size, the present implementation appears best suited for networks of just a few sites. The cold-atom platform discussed in this article can be used to explore the performance of the proposed protocol when training the neural network with simulation data but then applying it to construct models based on experimental data.
Abstract Recent progress in building large-scale quantum devices for exploring quantum computing and simulation has relied upon effective tools for achieving and maintaining good experimental parameters, i.e., tuning up devices. In many cases, including quantum dot-based architectures, the parameter space grows substantially with the number of qubits, and may become a limit to scalability. Fortunately, machine learning techniques for pattern recognition and image classification, using so-called deep neural networks, have shown surprising successes for computer-aided understanding of complex systems. We propose a new paradigm for fully automated experimental initialization through a closed-loop system relying on machine learning and optimization techniques. We use deep convolutional neural networks to characterize states and charge configurations of semiconductor quantum dot arrays when only measurements of a current−voltage characteristic of transport are available. For simplicity, we model a semiconductor nanowire connected to leads and capacitively coupled to depletion gates using the Thomas−Fermi approximation and Coulomb blockade physics. We then generate labeled training data for the neural networks, and find at least 90 % accuracy for charge and state identification for single and double dots. Using these characterization networks, we can then optimize the parameter space to achieve a desired configuration of the array, a technique we call “auto-tuning”. Finally, we show how such techniques can be implemented in an experimental setting by applying our approach to an experimental dataset, and outline further problems in this domain, from using charge sensing data to extensions to full one- and two-dimensional arrays, that can be tackled with machine learning.
Spanning over two decades, the study of qubits in semiconductors for quantum computing has yielded significant breakthroughs. However, the development of large-scale semiconductor quantum circuits is still limited by challenges in efficiently tuning and operating these circuits. Identifying optimal operating conditions for these qubits is complex, involving the exploration of vast parameter spaces. This presents a real ‘needle in the haystack’ problem, which, until now, has resisted complete automation due to device variability, fabrication imperfections, and limited data availability. In this thesis, I first present a machine learning algorithm capable of automatically identifying Pauli spin blockade (PSB) using charge transport measurements. PSB can be employed as a resource for spin qubit initialisation and readout but it can be difficult to identify. The scarcity of PSB data is circumvented by training the algorithm with simulated data and by using cross-device validation. I demonstrate the approach on a silicon field-effect transistor device and report a high accuracy on test devices, giving evidence that the approach is robust to device variability. Then, I present the first fully autonomous tuning of a semiconductor qubit, from a grounded device to Rabi oscillations, a clear indication of successful qubit operation. This automation, achieved without human intervention, is demonstrated in a Ge/Si core/shell nanowire device and integrates deep learning, Bayesian optimisation, and computer vision techniques. Further, I demonstrate the potential of full automation by characterising how the Rabi frequency and g-factor depend on barrier gate voltages for qubits in four different charge transitions. The data reveals that certain features in charge transport measurements can enhance automated tuning processes by recognising the conditions for successful readout. Finally, I present the autonomous optimisation of two qubits for maximal Rabi frequency. This optimisation extends the tuning algorithm, enabling it to enhance the performance of a qubit. I hope the mass tuning and characterisation of qubits, enabled by the methods in this thesis, will create a productive feedback loop between measurement and fabrication processes. Wafer-scale, high-throughput characterisation of quantum devices can mitigate device variability and contribute to their scalability. The continued evolution of these methods will support the growing demands of the field, ultimately – and hopefully – leading to practical and powerful quantum computers.