Noisy Intermediate-scale Quantum Devices Research Articles

Non‐Markovian Cost Function for Quantum Error Mitigation

Non‐Markovian Cost Function for Quantum Error Mitigation

Parameter-setting heuristic for the quantum alternating operator ansatz

The quantum alternating operator ansatz (QAOA) is a generalized approach for solving challenging optimization problems that builds on the alternating structure of the quantum approximate optimization algorithm. Finding high-quality parameters efficiently for QAOA remains a major challenge in practice. In this work, we introduce a classical strategy for parameter setting, suitable for cases in which the number of distinct cost values grows only polynomially with the problem size, such as is common for constraint-satisfaction problems. The crux of our strategy is that we replace the cost function expectation value step of QAOA with a classical model that can be efficiently evaluated classically and has parameters which play an analogous role to the QAOA parameters. This model is based on empirical observations that, in some QAOA states, variable configurations with the same cost have the same amplitudes from step to step. We define this class of states as homogeneous states. For problems with particular symmetries, QAOA states are guaranteed to be homogeneous. More generally, high overlaps between QAOA states and homogeneous states have been empirically observed in a number of settings. Building on this idea, we define a classical homogeneous proxy for QAOA in which this property holds exactly and which yields information describing both states and expectation values. We then classically determine high-quality parameters for this proxy and then use these parameters in QAOA, an approach we label the homogeneous heuristic for parameter setting. We numerically examine this heuristic for MaxCut on unweighted Erdős-Rényi random graphs. For up to three QAOA levels we demonstrate that the heuristic is easily able to find parameters that match approximation ratios corresponding to previously found globally optimized approaches. For levels up to 20 we obtain parameters using our heuristic with approximation ratios monotonically increasing with depth, while a strategy that uses parameter transfer instead fails to converge with comparable classical resources. These results suggest that our heuristic may find good parameters in regimes that are intractable with noisy intermediate-scale quantum devices. Finally, we outline how our heuristic may be applied to wider classes of problems. Published by the American Physical Society 2024

Non-Markovian quantum gate set tomography

Engineering quantum devices requires reliable characterization of the quantum system, including qubits, quantum operations (also known as instruments) and the quantum noise. Recently, quantum gate set tomography (GST) has emerged as a powerful technique for self-consistently describing quantum states, gates, and measurements. However, non-Markovian correlations between the quantum system and environment impact the reliability of GST. To address this, we propose a self-consistent operational framework called instrument set tomography (IST) for non-Markovian GST. Based on the stochastic quantum process, the instrument set describes instruments and system-environment (SE) correlations. We introduce a linear inversion IST (LIST) to describe instruments and SE correlations without physical constraints. The disharmony of linear relationships between instruments is detected. Furthermore, we propose a physically constrained statistical method based on the maximum likelihood estimation for IST (MLE-IST) with adjustable dimensions. MLE-IST shows significant flexibility in adapting to different types of devices, such as noisy intermediate-scale quantum (NISQ) devices, by adjusting the model and constraints. Experimental results demonstrate the effectiveness and necessity of simultaneously describing instruments and SE correlations. Specifically, the LIST and MLE-IST obtains significant improvement on average square error reduction in the imperfect implemented simulations by orders of −23.77 and −6.21, respectively, compared to their comparative methods. Remarkably, real-chip experiments indicate that a polynomial number of parameters with respect to the Markovian order are sufficient to characterize non-Markovian quantum noise in current NISQ devices. Consequently, IST provides an essential and self-consistent framework for characterizing, benchmarking, and developing quantum devices in terms of the instrument set.

Implementation of a quantum division circuit on noisy intermediate-scale quantum devices using dynamic circuits and approximate computing

Implementation of a quantum division circuit on noisy intermediate-scale quantum devices using dynamic circuits and approximate computing

Quantum Convolutional Long Short-Term Memory Based on Variational Quantum Algorithms in the Era of NISQ

In the era of noisy intermediate-scale quantum (NISQ) computing, the synergistic collaboration between quantum and classical computing models has emerged as a promising solution for tackling complex computational challenges. Long short-term memory (LSTM), as a popular network for modeling sequential data, has been widely acknowledged for its effectiveness. However, with the increasing demand for data and spatial feature extraction, the training cost of LSTM exhibits exponential growth. In this study, we propose the quantum convolutional long short-term memory (QConvLSTM) model. By ingeniously integrating classical convolutional LSTM (ConvLSTM) networks and quantum variational algorithms, we leverage the variational quantum properties and the accelerating characteristics of quantum states to optimize the model training process. Experimental validation demonstrates that, compared to various LSTM variants, our proposed QConvLSTM model outperforms in terms of performance. Additionally, we adopt a hierarchical tree-like circuit design philosophy to enhance the model’s parallel computing capabilities while reducing dependence on quantum bit counts and circuit depth. Moreover, the inherent noise resilience in variational quantum algorithms makes this model more suitable for spatiotemporal sequence modeling tasks on NISQ devices.

Folded Spectrum VQE: A Quantum Computing Method for the Calculation of Molecular Excited States.

The recent developments of quantum computing present novel potential pathways for quantum chemistry as the scaling of the computational power of quantum computers could be harnessed to naturally encode and solve electronic structure problems. Theoretically exact quantum algorithms for chemistry have been proposed (e.g., quantum phase estimation), but the limited capabilities of current noisy intermediate-scale quantum devices motivated the development of less demanding hybrid algorithms. In this context, the variational quantum eigensolver (VQE) algorithm was successfully introduced as an effective method to compute the ground-state energies of small molecules. This study investigates the folded spectrum (FS) method as an extension of the VQE algorithm for the computation of molecular excited states. It provides the possibility of directly computing excited states around a selected target energy using the same quantum circuit as for the ground-state calculation. Inspired by the variance-based methods from the quantum Monte Carlo literature, the FS method minimizes the energy variance, thus, in principle, requiring a computationally expensive squared Hamiltonian to be applied. We alleviate this potentially poor scaling by employing a Pauli grouping procedure to identify sets of commuting Pauli strings that can be evaluated simultaneously. This allows for a significant reduction in the computational cost. We applied the FS-VQE method to small molecules (H2, LiH), obtaining all electronic excited states with chemical accuracy on ideal quantum simulators. Furthermore, we explore the application of quantum error mitigation techniques, demonstrating improved energy accuracy on noisy simulators compared with simulations without mitigation.

Quafu-RL: The cloud quantum computers based quantum reinforcement learning

With the rapid advancement of quantum computing, hybrid quantum–classical machine learning has shown numerous potential applications at the current stage, with expectations of being achievable in the noisy intermediate-scale quantum (NISQ) era. Quantum reinforcement learning, as an indispensable study, has recently demonstrated its ability to solve standard benchmark environments with formally provable theoretical advantages over classical counterparts. However, despite the progress of quantum processors and the emergence of quantum computing clouds, implementing quantum reinforcement learning algorithms utilizing parameterized quantum circuits (PQCs) on NISQ devices remains infrequent. In this work, we take the first step towards executing benchmark quantum reinforcement problems on real devices equipped with at most 136 qubits on the BAQIS Quafu quantum computing cloud. The experimental results demonstrate that the policy agents can successfully accomplish objectives under modified conditions in both the training and inference phases. Moreover, we design hardware-efficient PQC architectures in the quantum model using a multi-objective evolutionary algorithm and develop a learning algorithm that is adaptable to quantum devices. We hope that the Quafu-RL can be a guiding example to show how to realize machine learning tasks by taking advantage of quantum computers on the quantum cloud platform.

Quantum variational distance-based centroid classifier

Quantum machine learning is a rapidly growing field with the potential to surpass classical methods and offer novel solutions to learning problems. Supervised classification, a prominent pattern recognition task, has attracted significant attention for improving existing methods using quantum techniques. Although previous quantum algorithms for distance-based classification have shown promise, they are not compatible with current Noisy Intermediate-Scale Quantum (NISQ) devices and cannot handle multiclass problems. To address these limitations, we present the quantum Variational Distance-based Centroid Classifier (qVDCC), a hybrid approach that combines the Quantum One-Class Classifier (QOCC) and Parameterized Quantum Circuits (PQCs). This approach greatly improves the feasibility of multiclass classification on NISQ devices, as it eliminates the need for a label qubit and uses a single-qubit measurement, regardless of data size. Our simulations on seven benchmark datasets using both noisy and noise-free simulations show that qVDCC is competitive with the k-nearest neighbors algorithm, while providing exponential data compression and efficient quantum data processing.

Computing electronic correlation energies using linear depth quantum circuits

Efficient computation of molecular energies is an exciting application of quantum computing for quantum chemistry, but current noisy intermediate-scale quantum (NISQ) devices can only execute shallow circuits, limiting existing variational quantum algorithms, which require deep entangling quantum circuit ansatzes to capture correlations, to small molecules. Here we demonstrate a variational NISQ-friendly algorithm that generates a set of Hartree–Fock ansatzes using multiple shallow circuits with depth linear in the number of qubits to estimate electronic correlation energies via perturbation theory up to the second order. We tested the algorithm on several small molecules, both with classical simulations including noise models and on cloud quantum processors, showing that it not only reproduces the equilibrium molecular energies but it also captures the perturbative electronic correlation effects at longer bond distances. The number of shallow circuits required for our algorithms scales O(N5) , with N being the system size, thus enabling the study of larger molecules compared to other approaches, where circuit depth or number of qubits required become prohibitive for NISQ devices.

On the effects of biased quantum random numbers on the initialization of artificial neural networks

Recent advances in practical quantum computing have led to a variety of cloud-based quantum computing platforms that allow researchers to evaluate their algorithms on noisy intermediate-scale quantum devices. A common property of quantum computers is that they can exhibit instances of true randomness as opposed to pseudo-randomness obtained from classical systems. Investigating the effects of such true quantum randomness in the context of machine learning is appealing, and recent results vaguely suggest that benefits can indeed be achieved from the use of quantum random numbers. To shed some more light on this topic, we empirically study the effects of hardware-biased quantum random numbers on the initialization of artificial neural network weights in numerical experiments. We find no statistically significant difference in comparison with unbiased quantum random numbers as well as biased and unbiased random numbers from a classical pseudo-random number generator. The quantum random numbers for our experiments are obtained from real quantum hardware.

Randomness-Enhanced Expressivity of Quantum Neural Networks.

As a hybrid of artificial intelligence and quantum computing, quantum neural networks (QNNs) have gained significant attention as a promising application on near-term, noisy intermediate-scale quantum devices. Conventional QNNs are described by parametrized quantum circuits, which perform unitary operations and measurements on quantum states. In this Letter, we propose a novel approach to enhance the expressivity of QNNs by incorporating randomness into quantum circuits. Specifically, we introduce a random layer, which contains single-qubit gates sampled from a trainable ensemble pooling. The prediction of QNN is then represented by an ensemble average over a classical function of measurement outcomes. We prove that our approach can accurately approximate arbitrary target operators using Uhlmann's theorem for majorization, which enables observable learning. Our proposal is demonstrated with extensive numerical experiments, including observable learning, Rényi entropy measurement, and image recognition. We find the expressivity of QNNs is enhanced by introducing randomness for multiple learning tasks, which could have broad application in quantum machine learning.

Quantum circuit synthesis on noisy intermediate-scale quantum devices

Quantum circuit synthesis on noisy intermediate-scale quantum devices

Improving Noisy Hybrid Quantum Graph Neural Networks for Particle Decay Tree Reconstruction

Improving Noisy Hybrid Quantum Graph Neural Networks for Particle Decay Tree Reconstruction

Parametrized Constant-Depth Quantum Neuron.

Quantum computing has been revolutionizing the development of algorithms. However, only noisy intermediate-scale quantum devices are available currently, which imposes several restrictions on the circuit implementation of quantum algorithms. In this article, we propose a framework that builds quantum neurons based on kernel machines, where the quantum neurons differ from each other by their feature space mappings. Besides contemplating previous quantum neurons, our generalized framework has the capacity to instantiate other feature mappings that allow us to solve real problems better. Under that framework, we present a neuron that applies a tensor-product feature mapping to an exponentially larger space. The proposed neuron is implemented by a circuit of constant depth with a linear number of elementary single-qubit gates. The previous quantum neuron applies a phase-based feature mapping with an exponentially expensive circuit implementation, even using multiqubit gates. Additionally, the proposed neuron has parameters that can change its activation function shape. Here, we show the activation function shape of each quantum neuron. It turns out that parametrization allows the proposed neuron to optimally fit underlying patterns that the existing neuron cannot fit, as demonstrated in the nonlinear toy classification problems addressed here. The feasibility of those quantum neuron solutions is also contemplated in the demonstration through executions on a quantum simulator. Finally, we compare those kernel-based quantum neurons in the problem of handwritten digit recognition, where the performances of quantum neurons that implement classical activation functions are also contrasted here. The repeated evidence of the parametrization potential achieved in real-life problems allows concluding that this work provides a quantum neuron with improved discriminative abilities. As a consequence, the generalized framework of quantum neurons can contribute toward practical quantum advantage.

Quantum simulation of conical intersections.

We explore the simulation of conical intersections (CIs) on quantum devices, setting the groundwork for potential applications in nonadiabatic quantum dynamics within molecular systems. The intersecting potential energy surfaces of H3+ are computed from a variance-based contracted quantum eigensolver. We show how the CIs can be correctly described on quantum devices using wavefunctions generated by the anti-Hermitian contracted Schrödinger equation ansatz, which is a unitary transformation of wavefunctions that preserves the topography of CIs. A hybrid quantum-classical procedure is used to locate the seam of CIs. Additionally, we discuss the quantum implementation of the adiabatic to diabatic transformation and its relation to the geometric phase effect. Results on noisy intermediate-scale quantum devices showcase the potential of quantum computers in dealing with problems in nonadiabatic chemistry.

Amplitude amplification-inspired QAOA: improving the success probability for solving 3SAT

The Boolean satisfiability problem (SAT), in particular 3SAT with its bounded clause size, is a well-studied problem since a wide range of decision problems can be reduced to it. The Quantum Approximate Optimization Algorithm (QAOA) is a promising candidate for solving 3SAT for Noisy Intermediate-Scale Quantum devices in the near future due to its simple quantum ansatz. However, although QAOA generally exhibits a high approximation ratio, there are 3SAT problem instances where the algorithm’s success probability when obtaining a satisfying variable assignment from the approximated solution drops sharply compared to the approximation ratio. To address this problem, in this paper, we present variants of the algorithm that are inspired by the amplitude amplification algorithm to improve the success probability for 3SAT. For this, (i) three amplitude amplification-inspired QAOA variants are introduced and implemented, (ii) the variants are experimentally compared with a standard QAOA implementation, and (iii) the impact on the success probability and ansatz complexity is analyzed. The experiment results show that an improvement in the success probability can be achieved with only a moderate increase in circuit complexity.

Extending the variational quantum eigensolver to finite temperatures

We present a variational quantum thermalizer (VQT), called quantum-VQT (qVQT), which extends the variational quantum eigensolver to finite temperatures. The qVQT makes use of an intermediate measurement between two variational circuits to encode a density matrix on a quantum device. A classical optimization provides the thermal state and, simultaneously, all associated excited states of a quantum mechanical system. We demonstrate the capabilities of the qVQT for two different spin systems. First, we analyze the performance of qVQT as a function of the circuit depth and the temperature for a one-dimensional Heisenberg chain. Second, we use the excited states to map the complete, temperature dependent phase diagram of a two-dimensional J1–J2 Heisenberg model. Numerical experiments on both quantum simulators and real quantum hardware demonstrate the efficiency of our approach, which can be readily applied to study various quantum many-body systems at finite temperatures on currently available noisy intermediate-scale quantum devices.

QTN-VQC: an end-to-end learning framework for quantum neural networks

This work focuses on investigating an end-to-end learning approach for quantum neural networks (QNN) on noisy intermediate-scale quantum devices. The proposed model combines a quantum tensor network (QTN) with a variational quantum circuit (VQC), resulting in a QTN-VQC architecture. This architecture integrates a QTN with a horizontal or vertical structure related to the implementation of quantum circuits for a tensor-train network. The study provides theoretical insights into the quantum advantages of the end-to-end learning pipeline based on QTN-VQC from two perspectives. The first perspective refers to the theoretical understanding of QTN-VQC with upper bounds on the empirical error, examining its learnability and generalization powers; The second perspective focuses on using the QTN-VQC architecture to alleviate the Barren Plateau problem in the training stage. Our experimental simulation on CPU/GPUs is performed on a handwritten digit classification dataset to corroborate our proposed methods in this work.

Deep Neural Network Assisted Quantum Chemistry Calculations on Quantum Computers.

The variational quantum eigensolver (VQE) is a widely employed method to solve electronic structure problems in the current noisy intermediate-scale quantum (NISQ) devices. However, due to inherent noise in the NISQ devices, VQE results on NISQ devices often deviate significantly from the results obtained on noiseless statevector simulators or traditional classical computers. The iterative nature of VQE further amplifies the errors in each loop. Recent works have explored ways to integrate deep neural networks (DNN) with VQE to mitigate iterative errors, albeit primarily limited to the noiseless statevector simulators. In this work, we trained DNN models across various quantum circuits and examined the potential of two DNN-VQE approaches, DNN1 and DNNF, for predicting the ground state energies of small molecules in the presence of device noise. We carefully examined the accuracy of the DNN1, DNNF, and VQE methods on both noisy simulators and real quantum devices by considering different ansatzes of varying qubit counts and circuit depths. Our results illustrate the advantages and limitations of both VQE and DNN-VQE approaches. Notably, both DNN1 and DNNF methods consistently outperform the standard VQE method in providing more accurate ground state energies in noisy environments. However, despite being more accurate than VQE, the energies predicted using these methods on real quantum hardware remain meaningful only at reasonable circuit depths (depth = 15, gates = 21). At higher depths (depth = 83, gates = 112), they deviate significantly from the exact results. Additionally, we find that DNNF does not offer any notable advantage over VQE in terms of speed. Consequently, our study recommends DNN1 as the preferred method for obtaining quick and accurate ground state energies of molecules on current quantum hardware, particularly for quantum circuits with lower depth and fewer qubits.

Non-Markovian cost function for quantum error mitigation with Dirac Gamma matrices representation

This paper investigates the non-Markovian cost function in quantum error mitigation (QEM) and employs Dirac Gamma matrices to illustrate two-qubit operators, significant in relativistic quantum mechanics. Amid the focus on error reduction in noisy intermediate-scale quantum (NISQ) devices, understanding non-Markovian noise, commonly found in solid-state quantum computers, is crucial. We propose a non-Markovian model for quantum state evolution and a corresponding QEM cost function, using simple harmonic oscillators as a proxy for environmental noise. Owing to their shared algebraic structure with two-qubit gate operators, Gamma matrices allow for enhanced analysis and manipulation of these operators. We evaluate the fluctuations of the output quantum state across various input states for identity and SWAP gate operations, and by comparing our findings with ion-trap and superconducting quantum computing systems' experimental data, we derive essential QEM cost function parameters. Our findings indicate a direct relationship between the quantum system's coupling strength with its environment and the QEM cost function. The research highlights non-Markovian models' importance in understanding quantum state evolution and assessing experimental outcomes from NISQ devices.