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At least 343 records · Page 19

Quantum computing for fusion energy science applications

This is a review of recent research exploring and extending present-day quantum computing capabilities for fusion energy science applications. We begin with a brief tutorial on both ideal and open quantum dynamics, universal quantum computation, and quantum algorithms. Then, we explore the topic of using quantum computers to simulate both linear and nonlinear dynamics in greater detail. Because quantum computers can only efficiently perform linear operations on the quantum state, it is challenging to perform nonlinear operations that are generically required to describe the nonlinear differential equations of interest. In this work, we extend previous results on embedding nonlinear systems within linear systems by explicitly deriving the connection between the Koopman evolution operator, the Perron–Frobenius evolution operator, and the Koopman–von Neumann evolution (KvN) operator. We also explicitly derive the connection between the Koopman and Carleman approaches to embedding. Extension of the KvN framework to the complex-analytic setting relevant to Carleman embedding, and the proof that different choices of complex analytic reproducing kernel Hilbert spaces depend on the choice of Hilbert space metric are covered in the appendixes. Finally, we conclude with a review of recent quantum hardware implementations of algorithms on present-day quantum hardware platforms that may one day be accelerated through Hamiltonian simulation. We discuss the simulation of toy models of wave–particle interactions through the simulation of quantum maps and of wave–wave interactions important in nonlinear plasma dynamics.

Joseph, I. (ORCID:0000000255400840)↗

Quantum multi-programming for Grover’s search

Quantum multi-programming is a method utilizing contemporary noisy intermediate-scale quantum computers by executing multiple quantum circuits concurrently. Despite early research on it, the research remains on quantum gates or small-size quantum algorithms without correlation. In this paper, we propose a quantum multi-programming (QMP algorithm for Grover's search. Our algorithm decomposes Grover's algorithm by the partial diffusion operator and executes the decomposed circuits in parallel by QMP. We proved that this new algorithm increases the rotation angle of the Grover operator which, as a result, increases the success probability. The new algorithm is implemented on IBM quantum computers and compared with the canonical Grover's algorithm and other variations of Grover's algorithms. So, the empirical tests validate that our new algorithm outperforms other variations of Grover's algorithms as well as the canonical Grover's algorithm.

97 MATHEMATICS AND COMPUTING↗

Subtleties in the trainability of quantum machine learning models

A new paradigm for data science has emerged, with quantum data, quantum models, and quantum computational devices. This field, called quantum machine learning (QML), aims to achieve a speedup over traditional machine learning for data analysis. However, its success usually hinges on efficiently training the parameters in quantum neural networks, and the field of QML is still lacking theoretical scaling results for their trainability. Some trainability results have been proven for a closely related field called variational quantum algorithms (VQAs). While both fields involve training a parametrized quantum circuit, there are crucial differences that make the results for one setting not readily applicable to the other. In this work, we bridge the two frameworks and show that gradient scaling results for VQAs can also be applied to study the gradient scaling of QML models. Our results indicate that features deemed detrimental for VQA trainability can also lead to issues such as barren plateaus in QML. Consequently, our work has implications for several QML proposals in the literature. In addition, we provide theoretical and numerical evidence that QML models exhibit further trainability issues not present in VQAs, arising from the use of a training dataset. We refer to these as dataset-induced barren plateaus. These results are most relevant when dealing with classical data, as here the choice of embedding scheme (i.e., the map between classical data and quantum states) can greatly affect the gradient scaling.

97 MATHEMATICS AND COMPUTING↗

Analyzing the Quantum Approximate Optimization Algorithm: Ansätze, Symmetries, and Lie Algebras

The quantum approximate optimization algorithm (QAOA) has been proposed as a method to obtain approximate solutions for combinatorial optimization tasks. In this work, we study the underlying algebraic properties of three QAOA ansätze for the maximum-cut problem on connected graphs, while focusing on the generated Lie algebras as well as their invariant subspaces. Specifically, we analyze the standard QAOA ansatz as well as the orbit and multiangle ansätze. We are able to fully characterize the Lie algebras of the multiangle ansatz across arbitrary connected graphs, finding that they only fall into one of just six families. Aside from the cycle and path graphs, the Lie dimensions for every graph are exponentially large in the system size, meaning that multiangle ansätze are extremely prone to exhibiting barren plateaus. Then, a similar quasi-graph-independent Lie-algebraic characterization beyond the multiangle ansatz is impeded as the circuit exhibits additional “hidden” symmetries besides those naturally arising from a certain parity-superselection operator and all automorphisms of the considered graph. Disregarding the “hidden” symmetries, we can upper bound the dimensions of the orbit and the standard Lie algebras, and the dimensions of the associated invariant subspaces are determined via explicit character formulas. To finish, we conjecture that (for most graphs) the standard Lie algebras have only components that are either exponential or that grow, at most, polynomially with the system size. This would imply that the QAOA is either prone to barren plateaus or classically simulable. More generally, our work provides a symmetry framework and tools to analyze any desired variational quantum algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantum-Accelerated Distributed Algorithms for Approximate Steiner Trees and Directed Minimum Spanning Trees

We present two algorithms in the Quantum CONGEST-CLIQUE model of distributed computation that succeed with high probability; one for producing an approximately optimal Steiner Tree, and one for producing an exact spanning arborescence of minimum weight, the analog of a Minimum Spanning Tree in a directed graph, each of which uses O~(n^(1/4)) rounds of communication and O~(n^(9/4)) messages, achieving a lower round and message complexity than any known algorithms in the classical CONGEST-CLIQUE model. The CONGEST distributed computational model allows limited-sized messages to be transmitted within a network described by a communication graph of size n in a series of rounds to address a computational problem. The size limitation for such messages isO(log(n)) bits at each edge of the communication graph per round. The communication graph in the CONGEST-CLIQUE model is fully connected. In the Quantum CONGEST-CLIQUE model, at most O(log(n)) classical and quantum bits (qubits) can be communicated across each edge of the communication graph per round. At a high level, we achieve these results by combining classical algorithms with fast quantum subroutines. These speedups further contribute to understanding what problems can be solved more efficiently when we allow quantum communication in this CONGEST-CLIQUE model of distributed computation.

quantum distributed algorithms↗

Efficient Measurement-Driven Eigenenergy Estimation with Classical Shadows

Quantum algorithms exploiting real-time evolution under a target Hamiltonian have demonstrated remarkable efficiency in extracting key spectral information. However, the broader potential of these methods, particularly beyond ground-state calculations, is underexplored. In this work, we introduce the framework of multiobservable dynamic mode decomposition (MODMD), which combines the observable dynamic mode decomposition (DMD), a measurement-driven eigensolver tailored for near-term implementation, with classical shadow tomography. MODMD leverages random scrambling in the classical shadow technique to construct, with exponentially reduced resource requirements, a signal subspace that encodes rich spectral information. Notably, we replace typical Hadamard-test circuits with a protocol designed to predict low-rank observables, thereby broadening the use of classical shadow tomography for predicting many low-rank observables. We establish theoretical guarantees on the spectral approximation from MODMD, taking into account distinct sources of error. In the ideal case, we prove that the spectral error scales as exp (−Δ⁢𝐸⁢𝑡 max ), where Δ⁢𝐸 is the Hamiltonian spectral gap and 𝑡 max is the maximal simulation time. This analysis provides a rigorous justification of the rapid convergence observed across simulations. To demonstrate the utility of our framework, we consider its application to fundamental tasks, such as determining the low-lying, i.e., ground or excited, energies of representative many-body systems. Our work paves the path for efficient designs of measurement-driven algorithms on near-term and early fault-tolerant quantum devices.

quantum algorithms & computation↗

Quantum Simulators and Applications on Quantum Framework

Simulating quantum circuits is essential for validating quantum algorithms. However, no single simulator consistently performs best - efficiency depends on circuit structure, entanglement, and depth. In this work, we integrate Qiskit-Aer (state-vector and matrix product state) and QTensor, a tree-tensor-network based simulator, into the Quantum Framework (QFw), a modular platform that supports multiple quantum backends via a unified interface. We also enable distributed quantum approximate optimization algorithm (DQAOA) application compatibility with QFw, allowing sub-problems to be solved in parallel at scale. We then benchmark DQAOA and TFIM (transverse field Ising model) circuits across supported simulators, showing how performance varies significantly with problem type. All simulations are deployed on the Frontier supercomputer using QFw's MPI-based orchestration for distributed, multinode execution. These results underscore the need for simulatoragnostic infrastructure to enable systematic evaluation and highperformance scaling of quantum workloads. QFw provides a practical and extensible path toward reproducible quantum algorithm development across diverse application domains.

Chundury, Srikar [ORNL] (ORCID:0009000183359259)↗

Chaotic roots of the modular multiplication dynamical system in Shor's algorithm

Shor's factoring algorithm, believed to provide an exponential speedup over classical computation, relies on finding the period of an exactly periodic quantum modular multiplication operator. This exact periodicity is the hallmark of an integrable system, which is paradoxical from the viewpoint of quantum chaos, given that the classical limit of the modular multiplication operator is a highly chaotic system that occupies the “maximally random” Bernoulli level of the classical ergodic hierarchy. In this work, we approach this apparent paradox from a quantum dynamical systems viewpoint, and consider whether signatures of ergodicity and chaos may indeed be encoded in such an “integrable” quantization of a chaotic system. We show that Shor's modular multiplication operator, in specific cases, can be written as a superposition of quantized 𝐴-baker's maps exhibiting more typical signatures of quantum chaos and ergodicity. This work suggests that the integrability of Shor's modular multiplication operator may stem from the interference of other “chaotic” quantizations of the same family of maps, and paves the way for deeper studies on the interplay of integrability, ergodicity, and chaos in and via quantum algorithms.

Dynamical systems↗

Fixed-angle conjectures for the quantum approximate optimization algorithm on regular MaxCut graphs

The quantum approximate optimization algorithm (QAOA) is a near-term combinatorial optimization algorithm suitable for noisy quantum devices. However, little is known about performance guarantees for p > 2. A recent work computing MaxCut performance guarantees for 3-regular graphs conjectures that any d-regular graph evaluated at particular fixed angles has an approximation ratio greater than some worst-case guarantee. In this work, we provide numerical evidence for this fixed angle conjecture for p < 12. We compute and provide these angles via numerical optimization and tensor networks. These fixed angles serve for an optimization-free version of QAOA and have universally good performance on any 3-regular graph. Heuristic evidence is presented for the fixed angle conjecture on graph ensembles, which suggests that these fixed angles are "close" to global optimum. Under the fixed angle conjecture, QAOA has a larger performance guarantee than the Goemans Williamson algorithm on 3-regular graphs for p >= 11.

Wurtz, Jonathan↗

A quantum encryption design featuring confusion, diffusion, and mode of operation

Abstract Quantum cryptography—the application of quantum information processing and quantum computing techniques to cryptography has been extensively investigated. Two major directions of quantum cryptography are quantum key distribution (QKD) and quantum encryption, with the former focusing on secure key distribution and the latter focusing on encryption using quantum algorithms. In contrast to the success of the QKD, the development of quantum encryption algorithms is limited to designs of mostly one-time pads (OTP) that are unsuitable for most communication needs. In this work we propose a non-OTP quantum encryption design utilizing a quantum state creation process to encrypt messages. As essentially a non-OTP quantum block cipher the method stands out against existing methods with the following features: 1. complex key-ciphertext relation (i.e. confusion) and complex plaintext-ciphertext relation (i.e. diffusion); 2. mode of operation design for practical encryption on multiple blocks. These features provide key reusability and protection against eavesdropping and standard cryptanalytic attacks.

97 MATHEMATICS AND COMPUTING↗

Data-driven quantum approximate optimization algorithm for power systems

Abstract Quantum technology provides a ground-breaking methodology to tackle challenging computational issues in power systems. It is especially promising for Distributed Energy Resources (DERs) dominant systems that have been widely developed to promote energy sustainability. In those systems, knowing the maximum sections of power and data delivery is essential for monitoring, operation, and control. However, high computational effort is required. By leveraging quantum resources, Quantum Approximate Optimization Algorithm (QAOA) provides a means to search for these sections efficiently. However, QAOA performance relies heavily on critical parameters, especially for weighted graphs. Here we present a data-driven QAOA, which transfers quasi-optimal parameters between weighted graphs based on the normalized graph density. We verify the strategy with 39,774 expectation value calculations. Without parameter optimization, our data-driven QAOA is comparable with the Goemans-Williamson algorithm. This work advances QAOA and pilots its practical application to power systems in noisy intermediate-scale quantum devices.

Jing, Hang (ORCID:0000000256343489)↗

Iterative quantum optimization of spin glass problems with rapidly oscillating transverse fields

In this work, we introduce a new iterative quantum algorithm, called Iterative Symphonic Tunneling for Satisfiability problems (IST-SAT), which solves quantum spin glass optimization problems using high-frequency oscillating transverse fields. IST-SAT operates as a sequence of iterations, in which bitstrings returned from one iteration are used to set spin-dependent phases in oscillating transverse fields in the next iteration. Over several iterations, the novel mechanism of the algorithm steers the system toward the problem ground state. We benchmark IST-SAT on sets of hard MAX-3-XORSAT problem instances with exact state vector simulation, and report polynomial speedups over Trotterized adiabatic quantum computation and the best known semi-greedy classical algorithm. When IST-SAT is seeded with a sufficiently good initial approximation, the algorithm converges to exact solution(s) in a polynomial number of iterations. Our numerical results identify a critical Hamming radius, or quality of initial approximation, where the time-to-solution crosses from exponential to polynomial scaling in problem size. This work proposes IST-SAT a new quantum algorithm, which improves upon solutions obtained from initial classical or quantum optimization algorithms. The steering mechanism we introduce through IST-SAT presents a new path toward achieving quantum advantage in optimization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Sampling frequency thresholds for the quantum advantage of the quantum approximate optimization algorithm

We compare the performance of the Quantum Approximate Optimization Algorithm (QAOA) with state-of-the-art classical solvers Gurobi and MQLib to solve the MaxCut problem on 3-regular graphs. We identify the minimum noiseless sampling frequency and depth p required for a quantum device to outperform classical algorithms. There is potential for quantum advantage on hundreds of qubits and moderate depth with a sampling frequency of 10 kHz. We observe, however, that classical heuristic solvers are capable of producing high-quality approximate solutions in linear time complexity. In order to match this quality for large graph sizes N, a quantum device must support depth p > 11. Additionally, multi-shot QAOA is not efficient on large graphs, indicating that QAOA p ≤ 11 does not scale with N. These results limit achieving quantum advantage for QAOA MaxCut on 3-regular graphs. Other problems, such as different graphs, weighted MaxCut, and 3-SAT, may be better suited for achieving quantum advantage on near-term quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An Algebraic Quantum Circuit Compression Algorithm for Hamiltonian Simulation

Quantum computing is a promising technology that harnesses the peculiarities of quantum mechanics to deliver computational speedups for some problems that are intractable to solve on a classical computer. Current generation noisy intermediate-scale quantum (NISQ) computers are severely limited in terms of chip size and error rates. Shallow quantum circuits with uncomplicated topologies are essential for successful applications in the NISQ era. In this work, based on matrix analysis, we derive localized circuit transformations to efficiently compress quantum circuits for simulation of certain spin Hamiltonians known as free fermions. The depth of the compressed circuits is independent of simulation time and grows linearly with the number of spins. The proposed numerical circuit compression algorithm behaves backward stable and scales cubically in the number of spins enabling circuit synthesis beyond O(10 3 ) spins. The resulting quantum circuits have a simple nearest-neighbor topology, which makes them ideally suited for NISQ devices.

Hamiltonian simulation↗

Computing Free Energies with Fluctuation Relations on Quantum Computers

One of the most promising applications for quantum computers is the dynamic simulation of quantum materials. Current hardware, however, sets stringent limitations on how long such simulations can run before decoherence begins to corrupt results. The Jarzynski equality, a fluctuation theorem that allows for the computation of equilibrium free energy differences from an ensemble of short, non-equilibrium dynamics simulations, can make use of such short-time simulations on quantum computers. Here, we present a quantum algorithm based on the Jarzynski equality for computing free energies of quantum materials. We demonstrate our algorithm using the transverse field Ising model on both a quantum simulator and real quantum hardware. As the free energy is a central thermodynamic property that allows one to compute virtually any equilibrium property of a physical system, the ability to perform this algorithm for larger quantum systems in the future has implications for a wide range of applications including the construction of phase diagrams, prediction of transport properties and reaction constants, and computer-aided drug design.

Bassman, Lindsay↗

A Polynomial-Time Classical Algorithm for Noisy Quantum Circuits

We provide a polynomial-time classical algorithm for noisy quantum circuits. The algorithm computes the expectation value of any observable for any circuit, with a small average error over input states drawn from an ensemble (e.g., the computational basis). Our approach is based upon the intuition that noise exponentially damps nonlocal correlations relative to local correlations. This enables one to classically simulate a noisy quantum circuit by keeping track of only the dynamics of local quantum information. Our algorithm also enables sampling from the output distribution of a circuit in quasipolynomial time, so long as the distribution anticoncentrates. A number of implications are discussed, including a fundamental limit on the efficacy of noise mitigation strategies: For constant noise rates, any quantum circuit for which error mitigation succeeds in polynomial-time on most input states can also be classically simulated in polynomial-time on most input states. Our algorithms scale exponentially in the inverse noise rate, which is fundamental and makes them impractical for current quantum devices.

decoherence↗

Efficient Hierarchical State Vector Simulation of Quantum Circuits via Acyclic Graph Partitioning

Early but promising results in quantum computing have been enabled by the concurrent development of quantum algorithms, devices, and materials. Classical simulation of quantum programs has enabled the design and analysis of algorithms and implementation strategies targeting current and anticipated quantum device architectures. In this paper, we present a graph-based approach to achieve efficient quantum circuit simulation. Our approach involves partitioning the graph representation of a given quantum circuit into sub-graphs/circuits that exhibit better data locality. Simulation of each sub-circuit is organized hierarchically, with the iterative construction and simulation of smaller state vectors, improving overall performance. Also, this partitioning reduces the number of passes through data, improving the total computation time. We present three partitioning strategies and observe that acyclic graph partitioning typically results in the best time-to-solution. In contrast, other strategies reduce the partitioning time at the expense of potentially increased simulation times. Experimental evaluation demonstrates the effectiveness of our approach.

Fang, Bo↗

Evidence of scaling advantage for the quantum approximate optimization algorithm on a classically intractable problem

The quantum approximate optimization algorithm (QAOA) is a leading candidate algorithm for solving optimization problems on quantum computers. However, the potential of QAOA to tackle classically intractable problems remains unclear. Here, we perform an extensive numerical investigation of QAOA on the low autocorrelation binary sequences (LABS) problem, which is classically intractable even for moderately sized instances. We perform noiseless simulations with up to 40 qubits and observe that the runtime of QAOA with fixed parameters scales better than branch-and-bound solvers, which are the state-of-the-art exact solvers for LABS. The combination of QAOA with quantum minimum finding gives the best empirical scaling of any algorithm for the LABS problem. We demonstrate experimental progress in executing QAOA for the LABS problem using an algorithm-specific error detection scheme on Quantinuum trapped-ion processors. Our results provide evidence for the utility of QAOA as an algorithmic component that enables quantum speedups.

97 MATHEMATICS AND COMPUTING↗