Quantum dynamics compilation is an important task for improving quantum simulation efficiency: It aims to synthesize multiqubit target dynamics into a circuit consisting of as few elementary gates as possible. Compared to deterministic methods such as Trotterization, variational quantum compilation (VQC) methods employ variational optimization to reduce gate costs while maintaining high accuracy. In this work, we make a paradigm shift in VQC’s framework design. First, we use a cost function from recently established out-of-distribution generalization results in quantum machine learning: By learning the action of a given many-body dynamics on a small dataset of product states, we can obtain a unitary circuit that generalizes to highly entangled states such as the Haar random states. Moreover, a key observation is that the low complexity in the data states allows us to use tensor-network methods to compress such time-evolved product states by exploiting their low entanglement features. Utilizing warm start methods, our approach exceeds state-of-the-art compilation results in both system size and accuracy in one dimension. For the first time, we extend VQC to systems to two-dimensional systems, demonstrating a significant resource advantage over standard Trotterization methods. The flexibility of our framework highlights the method's promise for advancing quantum simulation tasks on near-term quantum processors.
Quantum dynamics compilation is an important task for improving quantum simulation efficiency: It aims to synthesize multiqubit target dynamics into a circuit consisting of as few elementary gates as possible. Compared to deterministic methods such as Trotterization, variational quantum compilation (VQC) methods employ variational optimization to reduce gate costs while maintaining high accuracy. In this work, we make a paradigm shift in VQC’s framework design. First, we use a cost function from recently established out-of-distribution generalization results in quantum machine learning: By learning the action of a given many-body dynamics on a small dataset of product states, we can obtain a unitary circuit that generalizes to highly entangled states such as the Haar random states. Moreover, a key observation is that the low complexity in the data states allows us to use tensor-network methods to compress such time-evolved product states by exploiting their low entanglement features. Utilizing warm start methods, our approach exceeds state-of-the-art compilation results in both system size and accuracy in one dimension. For the first time, we extend VQC to systems to two-dimensional systems, demonstrating a significant resource advantage over standard Trotterization methods. The flexibility of our framework highlights the method's promise for advancing quantum simulation tasks on near-term quantum processors.
Simulation of quantum many-body systems is one of the most promising applications of quantum computers. It is crucial to efficiently implement the time-evolution operator as a quantum circuit to execute such simulations on near-term quantum computing devices with limited computational resources. However, standard approaches such as Trotterization sometimes require a deep quantum circuit, which is hard to implement on near-term quantum computers. Here, we propose a hybrid quantum-classical algorithm, called local subspace variational quantum compilation (LSVQC), for compiling the time-evolution operator of quantum many-body systems. The LSVQC performs a variational optimization to reproduce the action of the target time-evolution operator within a physically reasonable subspace. The optimization is performed for small local subsystems based on the Lieb-Robinson bound, which allows us to execute the cost function evaluation using small-scale quantum devices and/or classical computers. We demonstrate the validity of the LSVQC algorithm through numerical simulations of a simple spin-lattice model and an effective model of a parent compound of cuprate superconductors, Sr 2 CuO 3 , constructed by the downfolding method. It is shown that the LSVQC achieves a 95% reduction of the circuit depth for simulating quantum many-body dynamics compared to the Trotterization at best while maintaining the same computational accuracy. We also demonstrate that the restriction to a subspace leads to a substantial reduction of required resources and improved accuracy compared to the case of considering the entire Hilbert space. Furthermore, we estimate the gate count needed to execute the quantum simulations using the LSVQC on near-term quantum computing architectures in the noisy intermediate-scale or early fault-tolerant quantum computing era. Our estimation suggests that the acceptable physical gate error rate for the LSVQC can be about one order of magnitude larger than that for the Trotterization.
Variational quantum algorithms (VQAs) have emerged as a promising candidate for realizing quantum advantage in machine learning and optimization tasks on noisy intermediate-scale quantum (NISQ) devices. Despite significant theoretical promise, the practical impact of VQAs is constrained by the exponential growth in computational resources required for classical simulation, the onset of barren plateaus in parameterized landscapes, and the inherent difficulties of scaling classical optimization routines to circuits with many qubits and layers. Addressing these intertwined challenges is essential for both advancing quantum algorithm development and extracting actionable physical insights from modern quantum hardware.This dissertation develops, analyzes, and validates an efficient framework based on approximate tensor ring decompositions for the classical simulation, training, and benchmarking of variational quantum circuits and eigensolvers. The first component of this work formalizes the representation of quantum states and gates within a cyclic tensor ring structure, enabling the compression of parameterized quantum circuits to linear scaling in both qubit number and circuit depth, while preserving essential quantum correlations and entanglement structure. Gate operations are efficiently approximated via truncated singular value decomposition, and novel algorithms for forward propagation and gradient-based training in the tensor ring domain are developed. These methodological advances are systematically benchmarked on standard supervised learning tasks, including Iris and MNIST datasets, and compared to conventional statevector and matrix product state baselines, resulting in competitive accuracy and orders-of-magnitude reductions in simulation cost. Extending this framework, the dissertation also introduces a scalable method for gradient evaluation in variational quantum eigensolvers (VQE) using the approximate tensor ring representation. This approach enables the simulation and training of large circuits for combinatorial optimization problems, supporting practical qubit counts and circuit depths inaccessible to traditional simulation methods. Detailed experiments on the Maximum-Cut optimization problem demonstrate both the computational efficiency and robustness of the tensor ring framework in nontrivial optimization landscapes.Collectively, the results establish approximate tensor ring decomposition as a versatile and powerful framework for advancing quantum machine learning and discrete optimization, supporting both pre-deployment benchmarking on classical hardware and algorithm design for next-generation quantum devices. This work provides a foundation for the further exploration of scalable quantum-classical hybrid algorithms, with implications for quantum simulation, optimization, and beyond.
Implementing time evolution operators on quantum circuits is important for quantum simulation. However, the standard way, Trotterization, requires a huge numbers of gates to achieve desirable accuracy. Here, we propose a local variational quantum compilation (LVQC) algorithm, which allows to accurately and efficiently compile a time evolution operators on a large-scale quantum system by the optimization with smaller-size quantum systems. LVQC utilizes a subsystem cost function, which approximates the fidelity of the whole circuit, defined for each subsystem as large as approximate causal cones brought by the Lieb-Robinson (LR) bound. We rigorously derive its scaling property with respect to the subsystem size, and show that the optimization conducted on the subsystem size leads to the compilation of whole-system time evolution operators. As a result, LVQC runs with limited-size quantum computers or classical simulators that can handle such smaller quantum systems. For instance, finite-ranged and short-ranged interacting L-size systems can be compiled with O(L0)- or O(logL)-size quantum systems depending on observables of interest. Furthermore, since this formalism relies only on the LR bound, it can efficiently construct time evolution operators of various systems in generic dimension involving finite-, short-, and long-ranged interactions. We also numerically demonstrate the LVQC algorithm for one-dimensional systems. Employing classical simulation by time-evolving block decimation, we succeed in compressing the depth of a time evolution operators up to 40 qubits by the compilation for 20 qubits. LVQC not only provides classical protocols for designing large-scale quantum circuits, but also will shed light on applications of intermediate-scale quantum devices in implementing algorithms in larger-scale quantum devices.
Generalization bounds are a critical tool to assess the training data requirements of Quantum Machine Learning (QML). Recent work has established guarantees for in-distribution generalization of quantum neural networks (QNNs), where training and testing data are drawn from the same data distribution. However, there are currently no results on out-of-distribution generalization in QML, where we require a trained model to perform well even on data drawn from a different distribution to the training distribution. Here, we prove out-of-distribution generalization for the task of learning an unknown unitary. In particular, we show that one can learn the action of a unitary on entangled states having trained only product states. Since product states can be prepared using only single-qubit gates, this advances the prospects of learning quantum dynamics on near term quantum hardware, and further opens up new methods for both the classical and quantum compilation of quantum circuits.
Quantum computing is among the most promising emerging techniques to solve problems that are computationally intractable on classical hardware. A large body of existing works focus on using variational quantum algorithms on the gate level for machine learning tasks, such as the variational quantum circuit (VQC). However, VQC has limited flexibility and expressibility due to limited number of parameters, e.g. only one parameter can be trained in one rotation gate. On the other hand, we observe that quantum pulses are lower than quantum gates in the stack of quantum computing and offers more control parameters. Inspired by the promising performance of VQC, in this paper we propose variational quantum pulses (VQP), a novel paradigm to directly train quantum pulses for learning tasks. The proposed method manipulates variational quantum pulses by pulling and pushing the amplitudes of pulses in an optimization framework. Similar to variational quantum algorithms, our framework to train pulses maintains the robustness to noise on Noisy Intermediate-Scale Quantum (NISQ) computers. In an example task of binary classification, VQP learning achieves up to 11% and 9% higher accuracy compared with VQC learning on the qiskit pulse simulators (with system model from real machine) and ibmq-jarkata, respectively, demonstrating its effectiveness and feasibility. Stability for VQP to obtain reliable results has also been verified in the presence of noise.
Abstract Quantum compiling aims to construct a quantum circuitVby quantum gates drawn from a native gate alphabet, which is functionally equivalent to the target unitaryU. It is a crucial stage for the running of quantum algorithms on noisy intermediate-scale quantum (NISQ) devices. However, the space for structure exploration of quantum circuit is enormous, resulting in the requirement of human expertise, hundreds of experimentations or modifications from existing quantum circuits. In this paper, we propose a variational quantum compiling (VQC) algorithm based on reinforcement learning, in order to automatically design the structure of quantum circuit for VQC with no human intervention. An agent is trained to sequentially select quantum gates from the native gate alphabet and the qubits they act on by doubleQ-learning withϵ-greedy exploration strategy and experience replay. At first, the agent randomly explores a number of quantum circuits with different structures, and then iteratively discovers structures with higher performance on the learning task. Simulation results show that the proposed method can make exact compilations with less quantum gates compared to previous VQC algorithms. It can reduce the errors of quantum algorithms due to decoherence process and gate noise in NISQ devices, and enable quantum algorithms especially for complex algorithms to be executed within coherence time.