Quantum-classical Hybrid Research Articles

Distributed Shor's algorithm

Shor's algorithm is one of the most important quantum algorithm proposed by Peter Shor [Proceedings of the 35th Annual Symposium on Foundations of Computer Science, 1994, pp. 124--134]. Shor's algorithm can factor a large integer with certain probability and costs polynomial time in the length of the input integer. The key step of Shor's algorithm is the order-finding algorithm, the quantum part of which is to estimate $s/r$, where $r$ is the ``order" and $s$ is some natural number that less than $r$. {{Shor's algorithm requires lots of qubits and a deep circuit depth, which is unaffordable for current physical devices.}} In this paper, to reduce the number of qubits required and circuit depth, we propose a quantum-classical hybrid distributed order-finding algorithm for Shor's algorithm, which combines the advantages of both quantum processing and classical processing. {{ In our distributed order-finding algorithm, we use two quantum computers with the ability of quantum teleportation separately to estimate partial bits of $s/r$.}} The measuring results will be processed through a classical algorithm to ensure the accuracy of the results. Compared with the traditional Shor's algorithm that uses multiple control qubits, our algorithm reduces nearly $L/2$ qubits for factoring an $L$-bit integer and reduces the circuit depth of each computer.

Quantum Dynamic Mode Decomposition Algorithm for High-Dimensional Time Series Analysis

The dynamic mode decomposition (DMD) algorithm is a widely used factorization and dimensionality reduction technique in time series analysis. When analyzing high-dimensional time series, the DMD algorithm requires extremely large amounts of computational power. To accelerate the DMD algorithm, we propose a quantum-classical hybrid algorithm that we call the quantum dynamic mode decomposition (QDMD) algorithm. Given a time series X ∈ R n × ( m + 1) with n ≫ m , the QDMD algorithm first executes quantum singular value decomposition on a matrix related to X and obtains a quantum state containing the main singular values and singular vectors of the decomposed matrix, then performs a low-sampling-frequency process on the obtained quantum state and computes the low-dimensional projection of the DMD operator through the sampling results. Finally, the algorithm computes the DMD eigenvalues and prepares the amplitude-encoding states of the DMD modes using the obtained classical information and X . Considering the main variables, the complexity of the QDMD algorithm is O ~ M m polylog n / ϵ , where M = O ~ m 3 / ϵ 2 denotes the number of samples. Compared with the classical DMD algorithm, which has complexity O ~ n m 2 log 1 / ϵ , the QDMD algorithm provides an exponential acceleration of n , at the cost of greater dependence on M and ϵ . We test the effects of M on the QDMD algorithm in the specific application scenarios of data denoising, scene background extraction, and fluid dynamics analysis. We determined that the QDMD algorithm requires only a small number of samples M in specific applications, further demonstrating the quantum advantage of the QDMD algorithm in high-dimensional data analysis.

Circuit connectivity boosts by quantum-classical-quantum interfaces

High-connectivity circuits are a major roadblock for current quantum hardware. We propose a hybrid classical-quantum algorithm to simulate such circuits without swap-gate ladders. As the main technical tool, we introduce quantum-classical-quantum interfaces. These replace an experimentally problematic gate (e.g., a long-range one) with single-qubit random measurements followed by state preparations sampled according to a classical quasiprobability simulation of the noiseless gate. Each interface introduces a multiplicative statistical overhead which, remarkably, is independent of the on-chip qubit distance. Hence, by applying interfaces to the longest-range gates in a target circuit, significant reductions in circuit depth and gate infidelity can be attained. We numerically show the efficacy of our method for a Bell-state circuit for two increasingly distant qubits and a variational ground-state solver for the transverse-field Ising model on a ring. Our findings provide a versatile toolbox for error-mitigation and circuit boosts tailored for noisy, intermediate-scale quantum computation.

Classical versus quantum: Comparing tensor-network-based quantum circuits on Large Hadron Collider data

Tensor networks (TN) are approximations of high-dimensional tensors designed to represent locally entangled quantum many-body systems efficiently. This paper provides a comprehensive comparison between classical TNs and TN-inspired quantum circuits in the context of machine learning on highly complex, simulated Large Hadron Collider data. We show that classical TNs require exponentially large bond dimensions and higher Hilbert-space mapping to perform comparably to their quantum counterparts. While such an expansion in the dimensionality allows better performance, we observe that, with increased dimensionality, classical TNs lead to a highly flat loss landscape, rendering the usage of gradient-based optimization methods highly challenging. Furthermore, by employing quantitative metrics, such as the Fisher information and effective dimensions, we show that classical TNs require a more extensive training sample to represent the data as efficiently as TN-inspired quantum circuits. We also engage with the idea of hybrid classical-quantum TNs and show possible architectures to employ a larger phase space from the data. We offer our results using three main TN Ans\"atze: Tree tensor networks, matrix product states, and multiscale entanglement renormalization Ans\"atze.

A hybrid classical-quantum algorithm for solution of nonlinear ordinary differential equations

A hybrid classical-quantum approach for the solution of nonlinear ordinary differential equations using Walsh-Hadamard basis functions is proposed. Central to this hybrid approach is the computation of the Walsh-Hadamard transform of arbitrary vectors, which is enabled in our framework using quantum Hadamard gates along with state preparation, shifting, scaling, and measurement operations. It is estimated that the proposed hybrid classical-quantum approach for the Walsh-Hadamard transform of an input vector of size N results in a considerably lower computational complexity (O(N) operations) compared to the Fast Walsh-Hadamard transform (O(Nlog2(N)) operations). This benefit will also be relevant in the context of the proposed hybrid classical-quantum approach for the solution of nonlinear differential equations. Comparisons of results corresponding to the proposed hybrid classical-quantum approach and a purely classical approach for the solution of nonlinear differential equations (for cases involving one and two dependent variables) were found to be satisfactory. Some new perspectives relevant to the natural ordering of Walsh functions (in the context of both classical and hybrid approaches for the solution of nonlinear differential equations) and the representation theory of finite groups are also presented here.

Insights from incorporating quantum computing into drug designworkflows.

While many quantum computing (QC) methods promise theoretical advantages over classical counterparts, quantum hardware remains limited. Exploiting near-term QC in computer-aided drug design (CADD) thus requires judicious partitioning between classical and quantum calculations. We present HypaCADD, a hybrid classical-quantum workflow for finding ligands binding to proteins, while accounting for genetic mutations. We explicitly identify modules of our drug-design workflow currently amenable to replacement by QC: non-intuitively, we identify the mutation-impact predictor as the best candidate. HypaCADD thus combines classical docking and molecular dynamics with quantum machine learning (QML) to infer the impact of mutations. We present a case study with the coronavirus (SARS-CoV-2) protease and associated mutants. We map a classical machine-learning module onto QC, using a neural network constructed from qubit-rotation gates. We have implemented this in simulation and on two commercial quantum computers. We find that the QML models can perform on par with, if not better than, classical baselines. In summary, HypaCADD offers a successful strategy for leveraging QC for CADD. Jupyter Notebooks with Python code are freely available for academic use on GitHub: https://www.github.com/hypahub/hypacadd_notebook. Supplementary data are available at Bioinformatics online.

Spin-defect qubits in two-dimensional transition metal dichalcogenides operating at telecom wavelengths

Solid state quantum defects are promising candidates for scalable quantum information systems which can be seamlessly integrated with the conventional semiconductor electronic devices within the 3D monolithically integrated hybrid classical-quantum devices. Diamond nitrogen-vacancy (NV) center defects are the representative examples, but the controlled positioning of an NV center within bulk diamond is an outstanding challenge. Furthermore, quantum defect properties may not be easily tuned for bulk crystalline quantum defects. In comparison, 2D semiconductors, such as transition metal dichalcogenides (TMDs), are promising solid platform to host a quantum defect with tunable properties and a possibility of position control. Here, we computationally discover a promising defect family for spin qubit realization in 2D TMDs. The defects consist of transition metal atoms substituted at chalcogen sites with desirable spin-triplet ground state, zero-field splitting in the tens of GHz, and strong zero-phonon coupling to optical transitions in the highly desirable telecom band.

A hybrid classical-quantum algorithm for digital image processing

A hybrid classical-quantum approach for evaluation of multi-dimensional Walsh–Hadamard transforms and its applications to quantum image processing are proposed. In this approach, multi-dimensional Walsh–Hadamard transforms are obtained using quantum Hadamard gates (along with state preparation, shifting, scaling and measurement operations). The proposed approach for evaluation of multi-dimensional Walsh–Hadamard transform has a considerably lower computational complexity (involving $$O(N^d)$$ operations) in contrast to classical Fast Walsh–Hadamard transform (involving $$O(N^d~\log _2 N^d)$$ operations), where d and N denote the number of dimensions and degrees of freedom along each dimension. Unlike many other quantum image representation and quantum image processing frameworks, our proposed approach makes efficient use of qubits, where only $$\log _2 N $$ qubits are sufficient for sequential processing of an image of $$ N \times N $$ pixels. Selected applications of the proposed approach (for $$ d=2 $$ ) are demonstrated via computational examples relevant to basic image filtering and periodic banding noise removal, and the results were found to be satisfactory.

Power of the Sine Hamiltonian Operator for Estimating the Eigenstate Energies on Quantum Computers.

Quantum computers have been shown to have tremendous potential in solving difficult problems in quantum chemistry. In this paper, we propose a new classical-quantum hybrid method, named as power of sine Hamiltonian operator (PSHO), to evaluate the eigenvalues of a given Hamiltonian (Ĥ). In PSHO, for any reference state , the normalized energy of the state can be determined. With the increase of the power, the initial reference state can converge to the eigenstate with the largest value in the coefficients of the expansion of , and the normalized energy of the state converges to Ei. The ground- and excited-state energies of a Hamiltonian can be determined by taking different τ values. The performance of the PSHO method is demonstrated by numerical calculations of the H4 and LiH molecules. Compared with the current popular variational quantum eigensolver method, PSHO does not need to design the ansatz circuits and avoids the complex nonlinear optimization problems. PSHO has great application potential in near-term quantum devices.

Hybrid classical-quantum machine learning based on dissipative two-qubit channels

Although the environmental effects, i.e., dissipation and decoherence seem to be the strongest adversaries in the quantum information realm, here, we address how dissipation can be harnessed for quantum state preparation and universal quantum computation. In this line, we propose a realistic scheme for hybrid classical-quantum neural networks based on dissipative two-qubit channels. In particular, we design a variational quantum circuit consisting of a set of universal quantum gates. We encode classical information in the initial states of a two-qubit system interacting with a global environment. This composite system plays the role of a dissipative quantum channel (DQC). A pooling layer concatenates the output states of the DQCs resulting in the outcome of the circuit. Both the DCQs and the pooling layer provide superposition and entanglement which are the key ingredients of any universal quantum computation protocol. Finally, we investigate the capability and adaptability of this model by doing some machine learning tasks. It is reasonable to postulate that a quantum computer based on DQCs may outperform a classical computer because, in contrast to the latter, the former is capable of producing atypical patterns through non-classical phenomena.

Free to harmonic unitary transformations in quantum and Koopman dynamics* *Contribution to the Special Collection `Koopman Methods in Classical and Quantum–Classical Mechanics.

In the context of quantum dynamics there exists a coordinate transformation which maps the free particle to the harmonic oscillator. Here we extend this result by reformulating it as a unitary operation followed by a time coordinate transformation. We demonstrate that an equivalent transformation can be performed for classical systems in the context of Koopman–von Neumann dynamics. We further extend this mapping both to dissipative evolutions as well as for a quantum–classical hybrid, and show that this mapping imparts an identical time-dependent scaling on the dissipation parameters for both types of dynamics. The derived classical procedure presents a number of opportunities to import squeezing dependent quantum procedures (such as Hamiltonian amplification) into the classical regime.

Generalization Performance of Quantum Metric Learning Classifiers.

Quantum computing holds great promise for a number of fields including biology and medicine. A major application in which quantum computers could yield advantage is machine learning, especially kernel-based approaches. A recent method termed quantum metric learning, in which a quantum embedding which maximally separates data into classes is learned, was able to perfectly separate ant and bee image training data. The separation is achieved with an intrinsically quantum objective function and the overall approach was shown to work naturally as a hybrid classical-quantum computation enabling embedding of high dimensional feature data into a small number of qubits. However, the ability of the trained classifier to predict test sample data was never assessed. We assessed the performance of quantum metric learning on test ants and bees image data as well as breast cancer clinical data. We applied the original approach as well as variants in which we performed principal component analysis (PCA) on the feature data to reduce its dimensionality for quantum embedding, thereby limiting the number of model parameters. If the degree of dimensionality reduction was limited and the number of model parameters was constrained to be far less than the number of training samples, we found that quantum metric learning was able to accurately classify test data.

Using Variational Quantum Algorithm to Solve the LWE Problem

The variational quantum algorithm (VQA) is a hybrid classical–quantum algorithm. It can actually run in an intermediate-scale quantum device where the number of available qubits is too limited to perform quantum error correction, so it is one of the most promising quantum algorithms in the noisy intermediate-scale quantum era. In this paper, two ideas for solving the learning with errors problem (LWE) using VQA are proposed. First, after reducing the LWE problem into the bounded distance decoding problem, the quantum approximation optimization algorithm (QAOA) is introduced to improve classical methods. Second, after the LWE problem is reduced into the unique shortest vector problem, the variational quantum eigensolver (VQE) is used to solve it, and the number of qubits required is calculated in detail. Small-scale experiments are carried out for the two LWE variational quantum algorithms, and the experiments show that VQA improves the quality of the classical solutions.

Unraveling the Complex Chirality Evolution in DNA-Assembled High-Order, Hybrid Chiroplasmonic Superstructures from Multi-Scale Chirality Mechanisms.

Hierarchical, chiral hybrid superstructures of chromophores and nanoparticles are expected to give rise to intriguing unveiled chiroptical responses originating from the complex chiral interactions among the components. Herein, DNA origami cavity that could self-assemble into one-dimensional (1D) DNA tubes was employed as a scaffold to accurately organize metal nanoparticles and chromophores. The chiral interactions were studied at the level of individual hybrid particles and their 1D hybrid superstructures. Complex chirality mechanisms involving global structural chirality, plasmon-induced circular dichroism (PICD) and exciton-coupled circular dichroism (ECCD) were disentangled. The multiplexed CD spectrum superposition revealed the chirality evolution at different length scales. These results can offer a model for boosting the theoretical understanding of classical-quantum hybrid systems, and would inspire the future design of optically-active substances across length scales.

Hybrid classical-quantum autoencoder for anomaly detection

We propose a Hybrid classical-quantum Autoencoder (HAE) model, which is a synergy of a classical autoencoder (AE) and a parametrized quantum circuit (PQC) that is inserted into its bottleneck. The PQC augments the latent space, on which a standard outlier detection method is applied to search for anomalous data points within a classical dataset. Using this model and applying it to both standard benchmarking datasets, and a specific use-case dataset which relates to predictive maintenance of gas power plants, we show that the addition of the PQC leads to a performance enhancement in terms of precision, recall, and F1 score. Furthermore, we probe different PQC Ans\"atze and analyse which PQC features make them effective for this task.

Generating tensor-network states via combination of phonons and qubits in a trapped-ion platform

Tensor-network (TN) states supply one of the most powerful variational tools to simulate quantum many-body systems. Though classical simulation of TN states (with approximation) is efficient, the required computational (classical) resources are still beyond our current capability when the size of the system and bond dimension becomes large (which is necessary for studying complicated quantum many-body systems). The TN contraction, which is the dominant cost in TN algorithms, can be replaced by measuring the corresponding physical observables directly in the experimentally prepared TN states. The computational cost is thus dramatically reduced. Here, we propose a scheme to generate TN states by combining multiple phonon modes and qubits in the ion trap platform. With the full connectivity and parallelism of the phonon modes operation, we can generate TN states with rough but complex entanglement structures [such as the multiscale entanglement renormalization Ansatz on the one-dimensional (1D) lattice and the projected entangled pair states on the kagome lattice] by shallow generation circuits. With the abundant local free parameters of the qubits operation, we can refine the local details of the generated TN states. We further benchmark the expressive power of the generated TN states by optimizing the ground energy, which is very close to the exact results of the 1D transverse-field Ising model near the critical point and the 1D Heisenberg model. Our method supplies a quantum-classical hybrid way to simulate the ground states of many-body systems and paves a promising way to demonstrate the advantage of quantum simulation.

A prototype of quantum von Neumann architecture

A modern computer system, based on the von Neumann architecture, is a complicated system with several interactive modular parts. It requires a thorough understanding of the physics of information storage, processing, protection, readout, etc. Quantum computing, as the most generic usage of quantum information, follows a hybrid architecture so far, namely, quantum algorithms are stored and controlled classically, and mainly the executions of them are quantum, leading to the so-called quantum processing units. Such a quantum–classical hybrid is constrained by its classical ingredients, and cannot reveal the computational power of a fully quantum computer system as conceived from the beginning of the field. Recently, the nature of quantum information has been further recognized, such as the no-programming and no-control theorems, and the unifying understandings of quantum algorithms and computing models. As a result, in this work, we propose a model of a universal quantum computer system, the quantum version of the von Neumann architecture. It uses ebits (i.e. Bell states) as elements of the quantum memory unit, and qubits as elements of the quantum control unit and processing unit. As a digital quantum system, its global configurations can be viewed as tensor-network states. Its universality is proved by the capability to execute quantum algorithms based on a program composition scheme via a universal quantum gate teleportation. It is also protected by the uncertainty principle, the fundamental law of quantum information, making it quantum-secure and distinct from the classical case. In particular, we introduce a few variants of quantum circuits, including the tailed, nested, and topological ones, to characterize the roles of quantum memory and control, which could also be of independent interest in other contexts. In all, our primary study demonstrates the manifold power of quantum information and paves the way for the creation of quantum computer systems in the near future.

Quantum Orbital Minimization Method for Excited States Calculation on a Quantum Computer.

We propose a quantum-classical hybrid variational algorithm, the quantum orbital minimization method (qOMM), for obtaining the ground state and low-lying excited states of a Hermitian operator. Given parametrized ansatz circuits representing eigenstates, qOMM implements quantum circuits to represent the objective function in the orbital minimization method and adopts a classical optimizer to minimize the objective function with respect to the parameters in ansatz circuits. The objective function has an orthogonality constraint implicitly embedded, which allows qOMM to apply a different ansatz circuit to each input reference state. We carry out numerical simulations that seek to find excited states of H2, LiH, and a toy model consisting of four hydrogen atoms arranged in a square lattice in the STO-3G basis with UCCSD ansatz circuits. Comparing the numerical results with existing excited states methods, qOMM is less prone to getting stuck in local minima and can achieve convergence with more shallow ansatz circuits.

Review of some existing QML frameworks and novel hybrid classical–quantum neural networks realising binary classification for the noisy datasets

One of the most promising areas of research to obtain practical advantage is Quantum Machine Learning which was born as a result of cross-fertilisation of ideas between Quantum Computing and Classical Machine Learning. In this paper, we apply Quantum Machine Learning (QML) frameworks to improve binary classification models for noisy datasets which are prevalent in financial datasets. The metric we use for assessing the performance of our quantum classifiers is the area under the receiver operating characteristic curve AUC–ROC. By combining such approaches as hybrid-neural networks, parametric circuits, and data re-uploading we create QML inspired architectures and utilise them for the classification of non-convex 2 and 3-dimensional figures. An extensive benchmarking of our new FULL HYBRID classifiers against existing quantum and classical classifier models, reveals that our novel models exhibit better learning characteristics to asymmetrical Gaussian noise in the dataset compared to known quantum classifiers and performs equally well for existing classical classifiers, with a slight improvement over classical results in the region of the high noise.

Computing Ground State Properties with Early Fault-Tolerant Quantum Computers

Significant effort in applied quantum computing has been devoted to the problem of ground state energy estimation for molecules and materials. Yet, for many applications of practical value, additional properties of the ground state must be estimated. These include Green's functions used to compute electron transport in materials and the one-particle reduced density matrices used to compute electric dipoles of molecules. In this paper, we propose a quantum-classical hybrid algorithm to efficiently estimate such ground state properties with high accuracy using low-depth quantum circuits. We provide an analysis of various costs (circuit repetitions, maximal evolution time, and expected total runtime) as a function of target accuracy, spectral gap, and initial ground state overlap. This algorithm suggests a concrete approach to using early fault tolerant quantum computers for carrying out industry-relevant molecular and materials calculations.