Quantum-classical Algorithm Research Articles

Solving fractional differential equations on a quantum computer: A variational approach

We introduce an efficient variational hybrid quantum-classical algorithm designed for solving Caputo time-fractional partial differential equations. Our method employs an iterable cost function incorporating a linear combination of overlap history states. The proposed algorithm is not only efficient in terms of time complexity but also has lower memory costs compared to classical methods. Our results indicate that solution fidelity is insensitive to the fractional index and that gradient evaluation costs scale economically with the number of time steps. As a proof of concept, we apply our algorithm to solve a range of fractional partial differential equations commonly encountered in engineering applications, such as the subdiffusion equation, the nonlinear Burgers' equation, and a coupled diffusive epidemic model. We assess quantum hardware performance under realistic noise conditions, further validating the practical utility of our algorithm.

Quantum Algorithm for Imaginary-Time Green's Functions.

Green's function methods lead to ab initio, systematically improvable simulations of molecules and materials while providing access to multiple experimentally observable properties such as the density of states and the spectral function. The calculation of the exact one-particle Green's function remains a significant challenge for classical computers and was attempted only on very small systems. Here, we present a hybrid quantum-classical algorithm to calculate the imaginary-time one-particle Green's function. The proposed algorithm combines the variational quantum eigensolver and the quantum subspace expansion methods to calculate Green's function in Lehmann's representation. We demonstrate the validity of this algorithm by simulating H2 and H4 on quantum simulators and on IBM's quantum devices.

Resource-efficient quantum-classical hybrid algorithm for energy gap evaluation

Resource-efficient quantum-classical hybrid algorithm for energy gap evaluation

Meta-optimization of resources on quantum computers

The current state of quantum computing is commonly described as the Noisy Intermediate-Scale Quantum era. Available computers contain a few dozens of qubits and can perform a few dozens of operations before the inevitable noise erases all information encoded in the calculation. Even if the technology advances fast within the next years, any use of quantum computers will be limited to short and simple tasks, serving as subroutines of more complex classical procedures. Even for these applications the resource efficiency, measured in the number of quantum computer runs, will be a key parameter. Here we suggest a general meta-optimization procedure for hybrid quantum-classical algorithms that allows finding the optimal approach with limited quantum resources. This method optimizes the usage of resources of an existing method by testing its capabilities and setting the optimal resource utilization. We demonstrate this procedure on a specific example of variational quantum algorithm used to find the ground state energy of a hydrogen molecule.

Quantum-Informed Recursive Optimization Algorithms

We propose and implement a family of quantum-informed recursive optimization (QIRO) algorithms for combinatorial optimization problems. Our approach leverages quantum resources to obtain information that is used in problem-specific classical reduction steps that recursively simplify the problem. These reduction steps address the limitations of the quantum component (e.g., locality) and ensure solution feasibility in constrained optimization problems. Additionally, we use backtracking techniques to further improve the performance of the algorithm without increasing the requirements on the quantum hardware. We showcase the capabilities of our approach by informing QIRO with correlations from classical simulations of shallow circuits of the quantum approximate optimization algorithm, solving instances of maximum independent set and maximum satisfiability problems with hundreds of variables. We also demonstrate how QIRO can be deployed on a neutral atom quantum processor to find large independent sets of graphs. In summary, our scheme achieves results comparable to classical heuristics even with relatively weak quantum resources. Furthermore, enhancing the quality of these quantum resources improves the performance of the algorithms. Notably, the modular nature of QIRO offers various avenues for modifications, positioning our work as a template for a broader class of hybrid quantum-classical algorithms for combinatorial optimization. Published by the American Physical Society 2024

Comparative study on compact quantum circuits of hybrid quantum-classical algorithms for quantum impurity models

Predicting the properties of strongly correlated materials is a significant challenge in condensed matter theory. The widely used dynamical mean-field theory faces difficulty in solving quantum impurity models numerically. Hybrid quantum-classical algorithms such as variational quantum eigensolvers emerge as a potential solution for quantum impurity models. A common challenge in these algorithms is the rapid growth of the number of variational parameters with the number of spin-orbitals in the impurity. In our approach to this problem, we develop compact using a combination of two different strategies. First, we employ a compact physics-inspired , k-unitary cluster Jastrow , developed in the field of quantum chemistry. Second, we eliminate largely redundant variational parameters of physics-inspired associated with bath sites based on physical intuition. This is based on the fact that a quantum impurity model with a star-like geometry has no direct hopping between bath sites. We benchmark the accuracy of these for both ground-state energy and dynamic quantities by solving typical quantum impurity models with and without shot noise. The results suggest that we can maintain the accuracy of ground-state energy while we drop the number of variational parameters associated with bath sites. Furthermore, we demonstrate that a moment expansion, when combined with the proposed , can calculate the imaginary-time Green's functions under the influence of shot noise. This study demonstrates the potential for addressing complex impurity models in large-scale quantum simulations with fewer variational parameters without sacrificing accuracy. Published by the American Physical Society 2024

Demonstrating quantum computation for quasiparticle band structures

Understanding and predicting the properties of solid-state materials from first principles has been a great challenge for decades. Owing to the recent advances in quantum technologies, quantum computations offer a promising way to achieve this goal. Here, we demonstrate the first-principles calculation of a quasiparticle band structure on actual quantum computers. This is achieved by hybrid quantum-classical algorithms in conjunction with qubit-reduction and error-mitigation techniques. Our demonstration will pave the way to practical applications of quantum computers. Published by the American Physical Society 2024

Hybrid Quantum-classical Search Algorithms

Search is one of the most commonly used primitives in quantum algorithm design. It is known that quadratic speedups provided by Grover’s algorithm are optimal, and no faster quantum algorithms for Search exist. While it is known that at least some quantum computation is required to achieve these speedups, the existing bounds do not rule out the possibility of an equally fast hybrid quantum-classical algorithm where most of the computation is classical. In this work, we study such hybrid algorithms, and we show that classical computation, unless it by itself can solve the Search problem, cannot assist quantum computation. In addition, we generalize this result to algorithms with subconstant success probabilities.

Variational Quantum Simulation of Lindblad Dynamics via Quantum State Diffusion.

Quantum simulation of dynamics in open quantum systems is crucial but poses a significant challenge due to the non-Hermitian nature leading to nonunitary evolution and the limited quantum resources on current quantum computers. Here we introduce a variational hybrid quantum-classical algorithm designed for simulating the time evolution governed by the Lindblad master equation. Our approach involves on a stochastic unveiling of the density matrix, transforming the Lindblad equation into a wave function-based quantum state diffusion (QSD) method with the aim of reducing qubit requirements. We then apply variational quantum simulation (VQS) to efficiently capture the nonunitary evolution in QSD. We demonstrate our QSD-VQS algorithm by investigating the quantum dynamics in a two-level system subjected to an amplitude damping channel and a four-level transverse field Ising model within a dissipative environment including time-independent and periodic Hamiltonian cases. The results reveal its promising utility with upcoming hardware in the near future.

Quantum approximate optimization via learning-based adaptive optimization

Combinatorial optimization problems are ubiquitous and computationally hard to solve in general. Quantum approximate optimization algorithm (QAOA), one of the most representative quantum-classical hybrid algorithms, is designed to solve combinatorial optimization problems by transforming the discrete optimization problem into a classical optimization problem over continuous circuit parameters. QAOA objective landscape is notorious for pervasive local minima, and its viability significantly relies on the efficacy of the classical optimizer. In this work, we design double adaptive-region Bayesian optimization (DARBO) for QAOA. Our numerical results demonstrate that the algorithm greatly outperforms conventional optimizers in terms of speed, accuracy, and stability. We also address the issues of measurement efficiency and the suppression of quantum noise by conducting the full optimization loop on a superconducting quantum processor as a proof of concept. This work helps to unlock the full power of QAOA and paves the way toward achieving quantum advantage in practical classical tasks.

Accelerated variational quantum eigensolver with joint Bell measurement

The variational quantum eigensolver (VQE) stands as a prominent quantum-classical hybrid algorithm for near-term quantum computers to obtain the ground states of molecular Hamiltonians in quantum chemistry. However, due to the noncommutativity of the Pauli operators in the Hamiltonian, the number of measurements required on quantum computers increases significantly as the system size grows, which may hinder practical applications of VQE. In this work, we present a protocol termed (JBM-VQE) to reduce the number of measurements and speed up the VQE algorithm. Our method employs joint Bell measurements, enabling the simultaneous measurement of the absolute values of all expectation values of Pauli operators present in the Hamiltonian. In the course of the optimization, JBM-VQE estimates the absolute values of the expectation values of the Pauli operators for each iteration by the joint Bell measurement, while the signs of them are measured less frequently by the conventional method to measure the expectation values. Our approach is based on the empirical observation that the signs do not often change during optimization. We illustrate the speed-up of JBM-VQE compared to conventional VQE by numerical simulations for finding the ground states of molecular Hamiltonians of small molecules, and the speed-up of JBM-VQE at the early stage of the optimization becomes increasingly pronounced in larger systems. Our approach based on the joint Bell measurement is not limited to VQE and can be utilized in various quantum algorithms whose cost functions are expectation values of many Pauli operators. Published by the American Physical Society 2024

An expressive ansatz for low-depth quantum approximate optimisation

The quantum approximate optimisation algorithm (QAOA) is a hybrid quantum–classical algorithm used to approximately solve combinatorial optimisation problems. It involves multiple iterations of a parameterised ansatz that consists of a problem and mixer Hamiltonian, with the parameters being classically optimised. While QAOA can be implemented on near-term quantum hardware, physical limitations such as gate noise, restricted qubit connectivity, and state-preparation-and-measurement (SPAM) errors can limit circuit depth and decrease performance. To address these limitations, this work introduces the eXpressive QAOA (XQAOA), an overparameterised variant of QAOA that assigns more classical parameters to the ansatz to improve its performance at low depths. XQAOA also introduces an additional Pauli-Y component in the mixer Hamiltonian, allowing the mixer to implement arbitrary unitary transformations on each qubit. To benchmark the performance of XQAOA at unit depth, we derive its closed-form expression for the MaxCut problem and compare it to QAOA, Multi-Angle QAOA (MA-QAOA) (Herrman et al 2022 Sci. Rep. 12 6781), a classical-relaxed algorithm, and the state-of-the-art Goemans–Williamson algorithm on a set of unweighted regular graphs with 128 and 256 nodes for degrees ranging from 3 to 10. Our results indicate that at unit depth, XQAOA has benign loss landscapes with local minima concentrated near the global optimum, allowing it to consistently outperform QAOA, MA-QAOA, and the classical-relaxed algorithm on all graph instances and the Goemans–Williamson algorithm on graph instances with degrees greater than 4. Small-scale simulations also reveal that unit-depth XQAOA invariably surpasses both QAOA and MA-QAOA on all tested depths up to five. Additionally, we find an infinite family of graphs for which XQAOA solves MaxCut exactly and analytically show that for some graphs in this family, special cases of XQAOA are capable of achieving a much larger approximation ratio than QAOA. Overall, XQAOA is a more viable choice for variational quantum optimisation on near-term quantum devices, offering competitive performance at low depths.

The effects of quantum hardware properties on the performances of variational quantum learning algorithms

In-depth theoretical and practical research is nowadays being performed on variational quantum algorithms (VQAs), which have the potential to surpass traditional, classical, algorithms on a variety of problems, in physics, chemistry, biology, and optimization. Because they are hybrid quantum-classical algorithms, it takes a certain set of optimal conditions for their full potential to be exploited. For VQAs, the construction of an appropriate ansatz in particular is crucial, since it lays the ground for efficiently solving the particular problem being addressed. To prevent severe negative effects that hamper quantum computation, the substantial noise, together with the structural limitations, characteristic of currently available devices must be also taken into consideration while building the ansatz. In this work the effect of the quantum hardware structure, namely the topological properties emerging from the couplings between the physical qubits and the basis gates of the device itself, on the performances of VQAs is addressed. Specifically, it is here experimentally shown that a complex connectivity in the ansatz, albeit being beneficial for exploring wider sets of solutions, introduces an overhead of gates during the transpilation on a quantum computer that increases the overall error rate, thus undermining the quality of the training. It is hence necessary, when implementing a variation quantum learning algorithm, to find the right balance between a sufficiently parametrized ansatz and a minimal cost in terms of resources during transpilation. Moreover, the experimental finding allows to construct a heuristic metric function, which aids the decision-making process on the best possible ansatz structure to be deployed on a given quantum hardware, thus fostering a more efficient application of VQAs in realistic situations. The experiments are performed on two widely used variational algorithms, the VQE (variational quantum eigensolver) and the VQC (variational quantum classifier), both tested on two different problems, the first on the Markowitz portfolio optimization using real-world financial data, and the latter on a classification task performed on the Iris dataset.

Systematic study on the dependence of the warm-start quantum approximate optimization algorithm on approximate solutions

Quantum approximate optimization algorithm (QAOA) is a promising hybrid quantum-classical algorithm to solve combinatorial optimization problems in the era of noisy intermediate-scale quantum computers. Recently it has been revealed that warm-start approaches can improve the performance of QAOA, where approximate solutions are obtained by classical algorithms in advance and incorporated into the initial state and/or unitary ansatz. In this work, we study in detail how the accuracy of approximate solutions affects the performance of the warm-start QAOA (WS-QAOA). We numerically find that in typical MAX-CUT problems, WS-QAOA achieves higher fidelity (probability that exact solutions are observed) and approximation ratio than QAOA as the Hamming distance of approximate solutions to the exact ones becomes smaller. We reveal that this could be quantitatively attributed to the initial state of the ansatz. We also solve MAX-CUT problems by WS-QAOA with approximate solutions obtained via QAOA, having higher fidelity and approximation ratio than QAOA especially when the circuit is relatively shallow. We believe that our study may deepen understanding of the performance of WS-QAOA and also provide a guide as to the necessary quality of approximate solutions.

Quantum annealing research at CMU: algorithms, hardware, applications

In this mini-review, we introduce and summarize research from the Quantum Technologies Group (QTG) at Carnegie Mellon University related to computational experience with quantum annealing, performed in collaboration with several other institutions including IIT-Madras and NASA (QuAIL). We present a novel hybrid quantum-classical heuristic algorithm (GAMA, Graver Augmented Multi-seed Algorithm) for non-linear, integer optimization, and illustrate it on an application (in cancer genomics). We then present an algebraic geometry-based algorithm for embedding a problem onto a hardware that is not fully connected, along with a companion Integer Programming (IP) approach. Next, we discuss the performance of two photonic devices - the Temporal Multiplexed Ising Machine (TMIM) and the Spatial Photonic Ising Machine (SPIM) - on Max-Cut and Number Partitioning instances. We close with an outline of the current work.

Towards Quantum Ray Tracing.

Rendering on conventional computers is capable of generating realistic imagery, but the computational complexity of these light transport algorithms is a limiting factor of image synthesis. Quantum computers have the potential to significantly improve rendering performance through reducing the underlying complexity of the algorithms behind light transport. This paper investigates hybrid quantum-classical algorithms for ray tracing, a core component of most rendering techniques. Through a practical implementation of quantum ray tracing in a 3D environment, we show quantum approaches provide a quadratic improvement in query complexity compared to the equivalent classical approach. Based on domain specific knowledge, we then propose algorithms to significantly reduce the computation required for quantum ray tracing through exploiting image space coherence and a principled termination criteria for quantum searching. We show results obtained using a simulator for both Whitted style ray tracing, and for accelerating ray tracing operations when performing classical Monte Carlo integration for area lights and indirect illumination.

Variational Quantum-Classical Algorithms: A Review of Theory, Applications, and Opportunities

Variational Quantum-Classical Algorithm (VQCA) is a potential tool for machine learning (ML) prediction tasks, but its efficacy, adaptability to big datasets, and optimization for noise reduction on quantum hardware are not clear. We aim to accomplish three study goals in this literature review. We begin by reviewing the justifications for ML practitioners' use of VQCA. Second, we compare the accuracy and effectiveness of VQCA in diverse domains to see whether it has a performance advantage over other ML methods. Finally, we evaluate VQCA's immediate and long-term effects on quantum ML and how well it performs compared to ML techniques for prediction tasks across various applications or domains. Our findings show that VQCA can be significantly more accurate and efficient than conventional algorithms. We also compare traditional ML algorithms with VQCA on various datasets and examine their theoretical guarantees. We equally look into how VQCA might be used practically to address problems in a variety of industries, including banking, healthcare, and energy. In various datasets, we assess the performance and efficacy of VQCA for unsupervised learning tasks. Finally, we go through ways to improve VQCA, particularly for big and complicated problems, to lessen the effect of noise and other sources of error in quantum hardware. Overall, we looked at VQCA’s advantages and disadvantages for ML prediction tasks, including possible directions for future study. Our findings show that VQCA has the potential to completely transform the ML industry, particularly in this emerging era of quantum computing.

Determining the ability for universal quantum computing: Testing controllability via dimensional expressivity

Operator controllability refers to the ability to implement an arbitrary unitary in SU(N) and is a prerequisite for universal quantum computing. Controllability tests can be used in the design of quantum devices to reduce the number of external controls. Their practical use is hampered, however, by the exponential scaling of their numerical effort with the number of qubits. Here, we devise a hybrid quantum-classical algorithm based on a parametrized quantum circuit. We show that controllability is linked to the number of independent parameters, which can be obtained by dimensional expressivity analysis. We exemplify the application of the algorithm to qubit arrays with nearest-neighbour couplings and local controls. Our work provides a systematic approach to the resource-efficient design of quantum chips.

Stabilized coupled trajectory mixed quantum-classical algorithm with improved energy conservation: CTMQC-EDI.

Coupled trajectory mixed quantum-classical (CTMQC) dynamics is a rigorous approach to trajectory-based non-adiabatic dynamics, which has recently seen an improvement to energy conservation via the introduction of the CTMQC-E algorithm. Despite this, the method's two key quantities distinguishing it from Ehrenfest dynamics, the modified Born-Oppenheimer momentum and the quantum momentum, require regularization procedures in certain circumstances. Such procedures in the latter can cause instabilities, leading to undesirable effects, such as energy drift and spurious population transfer, which is expected to become increasingly prevalent when the system gets larger as such events would happen more frequently. We propose a further modification to CTMQC-E, which includes a redefinition of the quantum momentum, CTMQC-EDI (double intercept), such that it has no formal divergences. We then show for Tully models I-III and the double arch model that the algorithm has greatly improved total energy conservation and negligible spurious population transfer at all times, in particular in regions of strong non-adiabatic coupling. CTMQC-EDI, therefore, shows promise as a numerically robust non-adiabatic dynamics technique that accounts for decoherence from first principles and that is scalable to large molecular systems and materials.

Variational Quantum Linear Solver

Previously proposed quantum algorithms for solving linear systems of equations cannot be implemented in the near term due to the required circuit depth. Here, we propose a hybrid quantum-classical algorithm, called Variational Quantum Linear Solver (VQLS), for solving linear systems on near-term quantum computers. VQLS seeks to variationally prepare |x⟩ such that A|x⟩∝|b⟩. We derive an operationally meaningful termination condition for VQLS that allows one to guarantee that a desired solution precision ϵ is achieved. Specifically, we prove that C⩾ϵ2/κ2, where C is the VQLS cost function and κ is the condition number of A. We present efficient quantum circuits to estimate C, while providing evidence for the classical hardness of its estimation. Using Rigetti's quantum computer, we successfully implement VQLS up to a problem size of 1024×1024. Finally, we numerically solve non-trivial problems of size up to 250×250. For the specific examples that we consider, we heuristically find that the time complexity of VQLS scales efficiently in ϵ, κ, and the system size N.