One of the challenges currently facing the quantum computing community is the design of quantum circuits which can efficiently run on near-term quantum computers, known as the quantum compiling problem. Algorithms such as the Variational Quantum Eigensolver (VQE), Quantum Approximate Optimization Algorithm (QAOA), and Quantum Architecture Search (QAS) have been shown to generate or find optimal near-term quantum circuits. However, these methods are computationally expensive and yield little insight into the circuit design process. In this paper, we propose Quantum Deep Dreaming (QDD), an algorithm that generates optimal quantum circuit architectures for specified objectives, such as ground state preparation, while providing insight into the circuit design process. In QDD, we first train a neural network to predict some property of a quantum circuit (such as VQE energy). Then, we employ the Deep Dreaming technique on the trained network to iteratively update an initial circuit to achieve a target property value (such as ground state VQE energy). Importantly, this iterative updating allows us to analyze the intermediate circuits of the dreaming process and gain insights into the circuit features that the network is modifying during dreaming. We demonstrate that QDD successfully generates, or 'dreams', circuits of six qubits close to ground state energy (Transverse Field Ising Model VQE energy) and that dreaming analysis yields circuit design insights. QDD is designed to optimize circuits with any target property and can be applied to circuit design problems both within and outside of quantum chemistry. Hence, QDD lays the foundation for the future discovery of optimized quantum circuits and for increased interpretability of automated quantum algorithm design.
One of the challenges currently facing the quantum computing community is the design of quantum circuits which can efficiently run on near-term quantum computers, known as the quantum compiling problem. Algorithms such as the Variational Quantum Eigensolver (VQE), Quantum Approximate Optimization Algorithm (QAOA), and Quantum Architecture Search (QAS) have been shown to generate or find optimal near-term quantum circuits. However, these methods are computationally expensive and yield little insight into the circuit design process. In this paper, we propose Quantum Deep Dreaming (QDD), an algorithm that generates optimal quantum circuit architectures for specified objectives, such as ground state preparation, while providing insight into the circuit design process. In QDD, we first train a neural network to predict some property of a quantum circuit (such as VQE energy). Then, we employ the Deep Dreaming technique on the trained network to iteratively update an initial circuit to achieve a target property value (such as ground state VQE energy). Importantly, this iterative updating allows us to analyze the intermediate circuits of the dreaming process and gain insights into the circuit features that the network is modifying during dreaming. We demonstrate that QDD successfully generates, or 'dreams', circuits of six qubits close to ground state energy (Transverse Field Ising Model VQE energy) and that dreaming analysis yields circuit design insights. QDD is designed to optimize circuits with any target property and can be applied to circuit design problems both within and outside of quantum chemistry. Hence, QDD lays the foundation for the future discovery of optimized quantum circuits and for increased interpretability of automated quantum algorithm design.
There is increasing interest in the area of quantum computing, but using and developing new quantum algorithms, often represented as quantum circuits, is arduous and requires designers with a wide area of experience. The exploration of techniques for the automatic design of quantum algorithms, i.e., quantum architecture search, is therefore of high importance. This work explores the use of neural networks for quantum architecture search, since neural networks have proven quite successful in various complex search domains, and current approaches in quantum architecture search make very restricted use of them. There are many different domains in which quantum architecture search can be applied. They can be used to compile unitaries into quantum circuits, develop ansätze for variational quantum circuits, or develop new quantum algorithms by applying it to input output pairs of one task one wishes to solve. The focus in this thesis is on the task of quantum state preparation, a very important task in the field of quantum computing, as it is a subroutine in a large number of quantum algorithms like quantum machine learning and Hamiltonian simulation. This thesis approaches the task of quantum architecture search first by establishing the importance of the structure of quantum circuits. This is done with a large-scale study of the influence different circuit structure parameters, such as qubits and depth, have on the performance on variational quantum machine learning. During this research, four guidelines for designing circuits for variational quantum machine learning were established. DeepQPrep, a neural network-augmented deductive search for the automatic design of quantum circuits for quantum state preparation, was proposed. It is able to create non-parameterized quantum circuits to solve 76.9% of a restrictive set of quantum states with quantum circuits that were much shallower than the ones found in the ground-truth data. The model was trained on a dataset created in this thesis as none were available at the time. During the exploration of extensions of DeepQPrep to enable it to solve more arbitrary quantum state preparation problems without the need for labeled data, different challenges became apparent. A study on the difficulty of training neural networks to create parameterized quantum circuits using reinforcement learning found that training is hampered by the barren plateau problem of quantum computing. It shows that the variance of the gradient of the quantum circuit output with respect to its parameters goes exponentially to zero. A study showed that this problem makes the application of neural networks to encode quantum circuits highly challenging when no intermediate quantum state information is used. This culminated in DeepQPrepGrad, which combines parameterized circuits, the inductive search of DeepQPrep, and the reinforcement learning-based approach with more compact representations. By combining these parts with the gradients of quantum circuits, an approach that is able to create parameterized quantum circuits for arbitrary quantum states was obtained. The approach was evaluated on 20000 arbitrary 3-qubit quantum states without the need for any labeled data, resulting in a mean minimal similarity of 0.97 alleviated the found challenges to a large degree. This thesis explored key challenges faced when training neural networks to encode quantum circuits. These challenges are of paramount importance as they potentially affect a wide range of tasks in the field of quantum computing to which neural networks could be applied. Lastly, DeepQPrepGrad provides a significant step forward for the creation of quantum circuits using neural networks. DeepQPrepGrad makes great progress in solving the challenges highlighted above and has the potential to be applicable in a wide range of quantum architecture search tasks, such as variational eigensolver and variational quantum machine learning.
Efficient ground state search is fundamental to advancing combinatorial optimization problems and quantum chemistry. While the Variational Imaginary Time Evolution (VITE) method offers a useful alternative to Variational Quantum Eigensolver (VQE), and Quantum Approximate Optimization Algorithm (QAOA), its implementation on Noisy Intermediate-Scale Quantum (NISQ) devices is severely limited by the gate counts and depth of manually designed ansatz. Here, we present an automated framework for VITE circuit design using Double Deep-Q Networks (DDQN). Our approach treats circuit construction as a multi-objective optimization problem, simultaneously minimizing energy expectation values and optimizing circuit complexity. By introducing adoptive thresholds, we demonstrate significant hardware overhead reductions. In Max-Cut problems, our agent autonomously discovered circuits with approximately 37\% fewer gates and 43\% less depth than standard hardware-efficient ansatz on average. For molecular hydrogen (H2), the DDQN also achieved the Full-CI limit, with maintaining a significantly shallower circuit. These results suggest that deep reinforcement learning can be helpful to find non-intuitive, optimal circuit structures, providing a pathway toward efficient, hardware-aware quantum algorithm design.
Abstract Variational Quantum Algorithms (VQAs) have made great success in the Noisy Intermediate-Scale Quantum (NISQ) era due to their relative resilience to noise and high flexibility relative to quantum resources. Quantum Architecture Search (QAS) aims to enhance the performance of VQAs by refining the structure of the adopted Parameterized Quantum Circuit (PQC). QAS is garnering increased attention owing to its automation, reduced reliance on expert experience, and its ability to achieve better performance while requiring fewer quantum gates than manually designed circuits. However, existing QAS algorithms optimize the structure from scratch for each VQA without using any prior experience, rendering the process inefficient and time-consuming. Moreover, determining the number of quantum gates, a crucial hyper-parameter in these algorithms is a challenging and time-consuming task. To mitigate these challenges, we accelerate the QAS algorithm via a meta-trained generator. The proposed algorithm directly generates high-performance circuits for a new VQA by utilizing a meta-trained Variational AutoEncoder (VAE). The number of quantum gates required in the designed circuit is automatically determined based on meta-knowledge learned from a variety of training tasks. Furthermore, we have developed a meta-predictor to filter out circuits with suboptimal performance, thereby accelerating the algorithm. Simulation results on variational quantum compiling and Quantum Approximation Optimization Algorithm (QAOA) demonstrate the superior performance of our method over a state-of-the-art algorithm, namely Differentiable Quantum Architecture Search (DQAS).
Quantum Architecture Search (QAS) is an emerging field aimed at automating the design of quantum circuits for optimal performance. This paper introduces a novel QAS framework employing hybrid quantum reinforcement learning with quantum curriculum learning strategies, enabling learning agents to tackle increasingly complex quantum circuit design tasks. We benchmark four state-of-the-art classical reinforcement learning algorithms (A2C, PPO, DDQN, TD3) against their quantum-enhanced counterparts (QA2C, QPPO, QDDQN, QTD3) for optimizing variational quantum circuits (VQCs). Our approach progressively increases circuit depth and gate complexity during training, leveraging parameterized quantum circuits as function approximations. To improve learning efficiency and stability, all algorithms, both classical and quantum, are augmented with Prioritized Experience Replay (PER). Experimental results show that quantum-enhanced RL significantly outperforms classical methods. In a 2-qubit environment, PERQDDQN achieves a success probability of 0.46 with 3,000 optimal successes, surpassing classical PERDDQN (0.42,2,400). In the more complex 3-qubit setting, PERQDDQN and PERQTD3 reach success probabilities of 0.47, with optimal success counts of 3,800 and 3,600, respectively, outperforming their classical counterparts. Additionally, we apply our QAS-QTN approach to a classification problem, where the optimized quantum circuit achieves an accuracy of 90.33%, outperforming quantum models consisting of random ansatz. This hybrid classical-quantum approach leads to faster convergence and more efficient quantum circuit designs, demonstrating its potential for advancing automated quantum architecture search.
Quantum computing promises significant computational advantages over classical methods in certain applications but is currently too unstable for executing complex tasks. High-fidelity quantum circuits are critical to overcoming this challenge, yet they are computationally challenging to design. On current noisy intermediate-scale quantum (NISQ) hardware, shallower circuits with fewer two-qubit gates generally run with higher fidelity. Increased fidelity can be sought by sequentially rewriting the circuit, which involves a vast search space. This costly search space exploration could be circumvented by using reinforcement learning (RL) to teach an agent to rewrite the circuit in a sequential decision-making process. This thesis aims to implement a Deep Q-Network (DQN) algorithm to optimize BernsteinVazirani (BVZ) circuits. The DQN algorithm interacts with a Cirq-based environment. The environment provides valid rewrite actions to the DQN algorithm, which gains a scalar reward emphasizing depth and gate reduction. In the thesis we compare two different state encodings as input for the neural network: a compact state summarizing vector representation with three features, and an image-like encoding that maps circuit state topology with tokens through a fixed embedding. Both input encodings use the same action rewrite set and reward design. The network is implemented in PyTorch and trained with Adam optimizer, and runs on GPU via CUDA. Empirically, the agent shows promising initial optimizing performance. On several BVZ circuits with varying qubit count and topology, the agent drives the depth toward the theoretical optimum of three. The simplistic vector encoding already reaches reasonable circuit depth plateaus, with the image-like encoding together with hyperparameter tuning improving reliability, showing avenues for continued improvement. We conclude that DQN is a viable foundation for automated circuit optimization on BVZ circuits. To achieve reliable circuit optimization at scale, future research should investigate even richer encoding methods and reward function shaping. Finally, the results support applying the DQN to be applied to circuit families beyond BVZ.
With the steady progress in quantum computing over recent years, roadmaps for upscaling quantum processors have relied heavily on the targeted qubit architectures. So far, similarly to the early age of classical computing, these designs have been crafted by human experts. These general-purpose architectures, however, leave room for customization and optimization, especially when targeting popular near-term QC applications. In classical computing, customized architectures have demonstrated significant performance and energy efficiency gains over general-purpose counterparts. In this paper, we present a framework for optimizing quantum architectures, specifically through customizing qubit connectivity. It is the first work that (1) provides performance guarantees by integrating architecture optimization with an optimal compiler, (2) evaluates the impact of connectivity customization under a realistic crosstalk error model, and (3) benchmarks on realistic circuits of near-term interest, such as the quantum approximate optimization algorithm (QAOA) and quantum convolutional neural network (QCNN). We demonstrate up to 59% fidelity improvement in simulation by optimizing the heavy-hexagon architecture for QAOA maxcut circuits, and up to 14% improvement on the grid architecture. For the QCNN circuit, architecture optimization improves fidelity by 11% on the heavy-hexagon architecture and 605% on the grid architecture.