Quantum Optimization: Potential, Challenges, and the Path Forward

Computational quantum technologies are entering a new phase in which noisy intermediate-scale quantum computers are available, but are still too small to benefit from active error correction. Even with a finite coherence budget to invest in quantum information processing, noisy devices with about 50 qubits are expected to experimentally demonstrate quantum supremacy in the next few years. Defined in terms of artificial tasks, current proposals for quantum supremacy, even if successful, will not help to provide solutions to practical problems. Instead, we believe that future users of quantum computers are interested in actual applications and that noisy quantum devices may still provide value by approximately solving hard combinatorial problems via hybrid classical-quantum algorithms. To lower bound the size of quantum computers with practical utility, we perform realistic simulations of the Quantum Approximate Optimization Algorithm and conclude that quantum speedup will not be attainable, at least for a representative combinatorial problem, until several hundreds of qubits are available.

Quantum computing is gaining popularity across a wide range of scientific disciplines due to its potential to solve long-standing computational problems that are considered intractable with classical computers. One promising area where quantum computing has potential is in the speed-up of NP-hard optimisation problems that are common in industrial areas such as logistics and finance. Newcomers to the field of quantum computing who are interested in using this technology to solve optimisation problems do not have an easily accessible source of information on the current capabilities of quantum computers and algorithms. This paper aims to provide a comprehensive overview of the theory of quantum optimisation techniques and their practical application, focusing on their near-term potential for noisy intermediate scale quantum devices. The paper starts by drawing parallels between classical and quantum optimisation problems, highlighting their conceptual similarities and differences. Two main paradigms for quantum hardware are then discussed: analogue and gate-based quantum computers. While analog devices such as quantum annealers are effective for some optimisation problems, they have limitations and cannot be used for universal quantum computation. In contrast, gate-based quantum computers offer the potential for universal quantum computation, but they face challenges with hardware limitations and accurate gate implementation. The paper provides a detailed mathematical discussion with references to key works in the field, as well as a more practical discussion with relevant examples. The most popular techniques for quantum optimisation on gate-based quantum computers, the quantum approximate optimisation algorithm and the quantum alternating operator ansatz framework, are discussed in detail. However, it is still unclear whether these techniques will yield quantum advantage, even with advancements in hardware and noise reduction. The paper concludes with a discussion of the challenges facing quantum optimisation techniques and the need for further research and development to identify new, effective methods for achieving quantum advantage.

Quantum computing is emerging as a new computational paradigm with the potential to transform several research fields including quantum chemistry. However, current hardware limitations (including limited coherence times, gate infidelities, and connectivity) hamper the implementation of most quantum algorithms and call for more noise-resilient solutions. We propose an explicitly correlated Ansatz based on the transcorrelated (TC) approach to target these major roadblocks directly. This method transfers, without any approximation, correlations from the wave function directly into the Hamiltonian, thus reducing the resources needed to achieve accurate results with noisy quantum devices. We show that the TC approach allows for shallower circuits and improves the convergence toward the complete basis set limit, providing energies within chemical accuracy to experiment with smaller basis sets and, thus, fewer qubits. We demonstrate our method by computing bond lengths, dissociation energies, and vibrational frequencies close to experimental results for the hydrogen dimer and lithium hydride using two and four qubits, respectively. To demonstrate our approach's current and near-term potential, we perform hardware experiments, where our results confirm that the TC method paves the way toward accurate quantum chemistry calculations already on today's quantum hardware.

The field of quantum computing aims to speed up the solution for certain computational problems using quantum computers. The key milestone in this field is the claim that quantum supremacy can be achieved using quantum computers which shows that the quantum speedup is achievable in a real time system. Quantum computing can improve the performance of machine learning algorithms based on the quantum algorithms by producing better solutions for machine learning tasks than classical machine learning approaches. This chapter provides an overview on quantum computing, quantum supremacy and recent research and inventions in the field. The paper additionally illustrates the research conducted with respect to impact of quantum computing on machine learning.

Quantum computing is an extremely promising research combining theoretical and experimental quantum physics, mathematics, quantum information theory and computer science. Classical simulation of quantum computations will cover part of the gap between the theoretical mathematical formulation of quantum mechanics and the realization of quantum computers. One of the most important problems in “quantum computer science” is the development of new symbolic languages for quantum computing and the adaptation of existing symbolic languages for classical computing to quantum algorithms. The present paper is devoted to the adaptation of the Mathematica symbolic language to known quantum algorithms and corresponding simulation on the classical computer. Concretely we shall represent in the Mathematica symbolic language Simon’s algorithm, the Deutsch-Josza algorithm, Grover’s algorithm, Shor’s algorithm and quantum error-correcting codes. We shall see that the same framework can be used for all these algorithms. This framework will contain the characteristic property of the symbolic language representation of quantum computing and it will be a straightforward matter to include this framework in future algorithms.KeywordsDeutsch-Josza algorithmGrover’s algorithmQuantum computingQuantum error-correctingShor’s algorithmSimon’s algorithmSimulation of quantum algorithms

As we begin to reach the limits of classical computing, quantum computing has emerged as a technology that has captured the imagination of the scientific world. While for many years, the ability to execute quantum algorithms was only a theoretical possibility, recent advances in hardware mean that quantum computing devices now exist that can carry out quantum computation on a limited scale. Thus, it is now a real possibility, and of central importance at this time, to assess the potential impact of quantum computers on real problems of interest. One of the earliest and most compelling applications for quantum computers is Feynman's idea of simulating quantum systems with many degrees of freedom. Such systems are found across chemistry, physics, and materials science. The particular way in which quantum computing extends classical computing means that one cannot expect arbitrary simulations to be sped up by a quantum computer, thus one must carefully identify areas where quantum advantage may be achieved. In this review, we briefly describe central problems in chemistry and materials science, in areas of electronic structure, quantum statistical mechanics, and quantum dynamics that are of potential interest for solution on a quantum computer. We then take a detailed snapshot of current progress in quantum algorithms for ground-state, dynamics, and thermal-state simulation and analyze their strengths and weaknesses for future developments.

Computer science will be radically transformed if ongoing efforts to build large-scale quantum computers eventually succeed and if the properties of these computers meet optimistic expectations. Nevertheless, computer scientists still lack a thorough understanding of the power of quantum computing, and it is not always clear how best to utilize the power that is understood. This dilemma exists because quantum algorithms are difficult to grasp and even more difficult to write. Despite large-scale international efforts, only a few important quantum algorithms are documented, leaving many essential questions about the potential of quantum algorithms unanswered. These unsolved problems are ideal challenges for the application of automatic programming technologies. Genetic programming techniques, in particular, have already produced several new quantum algorithms and it is reasonable to expect further discoveries in the future. These methods will help researchers to discover how additional practical problems can be solved using quantum computers, and they will also help to guide theoretical work on both the power and limits of quantum computing. This tutorial will provide an introduction to quantum computing and an introduction to the use of evolutionary computation for automatic quantum computer programming. No background in physics or in evolutionary computation will be assumed. While the primary focus of the tutorial will be on general concepts, specific results will also be presented, including human-competitive results produced by genetic programming. Follow-up material is available from the presenter's book, Automatic Quantum Computer Programming: A Genetic Programming Approach, published by Springer and Kluwer Academic Publishers.

Quantum computing (QC) is not a futuristic notion in agriculture, though its full potential has yet to be realized. QC is an emerging field at the intersection of physics and computer science that holds immense potential to revolutionize various sectors, including agriculture production and artificial intelligence (AI) modeling. While QC is still in the early stages of development and practical applications within agriculture are not yet widespread, researchers are actively exploring its potential benefits in various agricultural domains, including crop optimization, livestock breeding, and environmental monitoring. QC harnesses the principles of quantum mechanics to perform computations using quantum bits or qubits, which can exist in multiple states simultaneously. Unlike classical computers, which rely on binary bits representing 0 or 1, quantum computers exploit phenomena such as superposition and entanglement to process information in parallel, potentially offering exponential speedup for certain types of problems. In agriculture production, particularly in animal science, QC offers promising avenues for optimizing processes and enhancing productivity. Quantum algorithms can analyze vast amounts of genomic data to improve breeding programs, leading to the development of more resilient and productive livestock breeds. Furthermore, QC can facilitate precision farming techniques by modeling complex environmental factors and animal behavior to optimize feeding strategies, disease management, and overall farm management practices. Moreover, QC can significantly benefit AI modeling by accelerating computations and enabling more efficient training of AI models. Quantum algorithms can enhance the performance of AI algorithms in various tasks, including pattern recognition, natural language processing, and predictive analytics. By leveraging quantum-enhanced optimization algorithms, AI models can achieve better convergence and accuracy, leading to more effective decision-making and problem-solving capabilities. While hybrid intelligent models also represent a novel frontier in agriculture, QC has the potential to expedite the merging of mechanistic and AI modeling paradigms, facilitating a more holistic understanding of complex systems in agriculture and beyond. By integrating mechanistic models, which describe the underlying physical processes, with AI models, which learn patterns from data, quantum computing can enable comprehensive simulations and predictions of agricultural systems. This fusion of modeling paradigms can lead to more accurate and robust predictions of crop yields, livestock performance, and environmental impacts, facilitating informed decision-making for farmers and policymakers. The application of QC in agriculture, however, requires interdisciplinary collaborations between physicists, computer scientists, agronomists/animal scientists, and AI researchers. These collaborations can drive the development of quantum algorithms tailored to agricultural applications, the integration of quantum-enhanced AI techniques into existing modeling frameworks, and the deployment of QC resources in real-world agricultural systems. Ultimately, harnessing the power of QC holds the potential to revolutionize agriculture production practices, including regenerative agriculture, and advance AI modeling capabilities, paving the way for a more sustainable and efficient agricultural industry.

Quantum Computing and Algorithmic Law

Quantum computers generally need to operate under more regulated physical condition than classical computer because of quantum mechanics. Classical computer uses bits and quantum computer use qubits. According to IBM, “Groups of quits in superposition can create complex, multidimensional computational spaces” that enable more complex calculations. Quantum algorithms like Shor’s and Grover’s run significantly faster than various algorithms for classical computer. Quantum entanglement offers fascinating opportunities for enhancing AI algorithms through improved computational efficiency. But practical implementation remains challenging due to technical limitations and the need for further research in the field of quantum machine learning. This article provides a brief overview of different quantum computing methods.

State-of-the-art noisy digital quantum computers can only execute short-depth quantum circuits. Variational algorithms are a promising route to unlock the potential of noisy quantum computers since the depth of the corresponding circuits can be kept well below hardware-imposed limits. Typically, the variational parameters correspond to virtual ${R}_{Z}$ gate angles, implemented by phase changes of calibrated pulses. By encoding the variational parameters directly as hardware pulse amplitudes and durations, we succeed in further shortening the pulse schedule and overall circuit duration. This decreases the impact of qubit decoherence and gate noise. As a demonstration, we apply our pulse-based variational algorithm to the calculation of the ground state of different hydrogen-based systems (${\mathrm{H}}_{2}, {\mathrm{H}}_{3}$, and ${\mathrm{H}}_{4}$) using IBM cross-resonance-based hardware. We observe a reduction in schedule duration of up to $5\ifmmode\times\else\texttimes\fi{}$ compared to cnot-based Ans\"atze, while also reducing the measured energy. In particular, we observe a sizable improvement of the minimal energy configuration of ${\mathrm{H}}_{3}$ compared to a cnot-based variational form. Finally, we discuss possible future developments including error-mitigation schemes and schedule optimizations, which will enable further improvements of our approach, paving the way towards the simulation of larger systems on noisy quantum devices.

Even after decades of quantum computing development, examples of generally useful quantum algorithms with exponential speedups over classical counterparts are scarce. Recent progress in quantum algorithms for linear-algebra positioned quantum machine learning (QML) as a potential source of such useful exponential improvements. Yet, in an unexpected development, a recent series of "dequantization" results has equally rapidly removed the promise of exponential speedups for several QML algorithms. This raises the critical question whether exponential speedups of other linear-algebraic QML algorithms persist. In this paper, we study the quantum-algorithmic methods behind the algorithm for topological data analysis of Lloyd, Garnerone and Zanardi through this lens. We provide evidence that the problem solved by this algorithm is classically intractable by showing that its natural generalization is as hard as simulating the one clean qubit model – which is widely believed to require superpolynomial time on a classical computer – and is thus very likely immune to dequantizations. Based on this result, we provide a number of new quantum algorithms for problems such as rank estimation and complex network analysis, along with complexity-theoretic evidence for their classical intractability. Furthermore, we analyze the suitability of the proposed quantum algorithms for near-term implementations. Our results provide a number of useful applications for full-blown, and restricted quantum computers with a guaranteed exponential speedup over classical methods, recovering some of the potential for linear-algebraic QML to become one of quantum computing's killer applications.

Quantum computing is a multidisciplinary field at the intersectionof quantum physics, computer science, and mathematics, aiming to har-ness quantum mechanical phenomena for computational advantage. Thisarticle provides a comprehensive review of both the foundational princi-ples and advanced theoretical models of quantum computing. We beginwith the basic framework of quantum computation, introducing the con-cept of qubits as two-level quantum systems, the linear algebra of Hilbertspaces, Dirac’s bra–ket notation, and the postulates of quantum mechan-ics (state superposition, unitary evolution, and projective measurement).We then discuss quantum logic gates and circuits, highlighting how clas-sical reversible computation principles extend to universal quantum gatesets. Next, we survey key quantum algorithms (from Shor’s factoring toGrover’s searching and beyond) and the complexity-theoretic implicationsof quantum computers, contrasting the class BQP with classical complex-ity classes. We cover the theoretical foundations of quantum error cor-rection and fault tolerance, explaining how quantum information can beprotected from decoherence using redundancy and how fault-tolerant pro-tocols can, in principle, allow scalable quantum computation despite noisyhardware. We then explore advanced models and paradigms of quantumcomputation, including measurement-based quantum computing (one-wayquantum computing), topological quantum computation with anyons, adi-abatic quantum computing and quantum annealing, continuous-variablequantum computing, and related approaches. We also provide an overviewof quantum information theory as it relates to computation, discussingentanglement, quantum entropy, and information-theoretic limits like theHolevo bound. Finally, we review the leading physical implementations(quantum hardware models) of quantum computers—trapped ions, super-conducting circuits, photonic systems, solid-state spin qubits, and oth-ers—outlining the challenges and achievements of each approach.

The evolution of twenty-first-century science has increasingly relied on interdisciplinary exploration, where boundaries between traditional disciplines blur to foster new innovations. Quantum computing has emerged as a leading area of modern innovation, uniting concepts from physics, mathematics, engineering, and computer science. Using quantum-mechanical properties like entanglement and superposition, these systems are capable of addressing complex problems that traditional computers cannot efficiently handle. This chapter examines the interdisciplinary nature of quantum computing, focusing on how it integrates theoretical physics with computational models to push the frontiers of human knowledge. Through this synthesis, quantum computing not only expands the limits of computation but also demonstrates how collaboration across disciplines can yield transformative technologies that redefine our understanding of science and information. Keywords: Quantum Computing, Interdisciplinary Research, Computer Science, Quantum Algorithms, Innovation, Physics, Future Technology

This Research to Practice Full Paper discusses an approach to motivating graduate computer science and electrical engineering students in the study of quantum computing. The U.S. Congress and other governmental and industrial organizations have recognized that teaching Quantum Computing in university-level Computer Science and Electrical Engineering programs is strategically important for workforce development along with technology development. Success in this endeavor requires generating genuine interest in the topic and motivating potential students. Quantum Computing requires an understanding of relatively difficult related subjects including physics, math and computer science. Many computer science and electrical engineering students shy away from quantum computing because of its complexity. This paper discusses our success with generating interest in quantum computing among graduate students and motivating them through exploring, in related courses, some aspects of quantum computing that have the potential to generate discontinuities. The approach is also examined in terms of the Scientific Learning Cycle as discussed by Wankat & Oreovicz. Opportunities and challenges of adding Quantum Computing to Computer Science and Electrical Engineering programs were studied through a student small group project in a cybersecurity course. The work built on extensive research into the effectiveness of small group projects and the role of “play” in learning. Our small group project on quantum computing was introduced three years ago into a cybersecurity course which is required for all students in our university's Masters in Computer Science and Masters in Electrical Engineering programs. The basic goals of the project are to teach students some basics of quantum computing by allowing them to “play with it” and to alert students to the fact that quantum computing is a rapidly developing new field that they need to follow during at least the next decade. The small group project helped students to explore the potential of quantum computing to substantially undermine current Public Key Cryptography and, at the same time provide a new approach to encryption that is even more secure than Public Key Cryptography. A qualitative analysis of discussions and assigned tasks suggests that this strategy succeeded in generating significant interest in quantum computing among students. They became motivated and immersed in a difficult subject despite the requirement for investment of significant time and effort to understand a complex combination of physics, math and computer science.