Minimal informationally complete measurements for probability representation of quantum dynamics

A Busy March Meeting Is Brewing in Seattle

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.

Classical simulations of real-space quantum dynamics are challenging due to the exponential scaling of computational cost with system dimensions. Quantum computers offer the potential to simulate quantum dynamics with polynomial complexity; however, existing quantum algorithms based on the split-operator techniques require large-scale fault-tolerant quantum computers that remain elusive in the near future. Here, we present variational simulations of real-space quantum dynamics suitable for implementation in noisy intermediate-scale quantum (NISQ) devices. The Hamiltonian is first encoded onto qubits using a discrete variable representation and binary encoding scheme. We show that direct application of a real-time variational quantum algorithm based on the McLachlan's principle is inefficient as the measurement cost grows exponentially with the qubit number for general potential energy, and an extremely small time-step size is required to achieve accurate results. Motivated by the insights that many chemical dynamics occur in the low-energy subspace, we propose a subspace expansion method by projecting the total Hamiltonian, including the time-dependent driving field, onto the system low-energy eigenstate subspace using quantum computers, and the exact quantum dynamics within the subspace can then be solved classically. We show that the measurement cost of the subspace approach grows polynomially with dimensionality for general potential energy. Our numerical examples demonstrate the capability of our approach, even under intense laser fields. Our work opens the possibility of simulating chemical dynamics with NISQ hardware.

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.

Nature intrinsically computes. It has been suggested that the entire universe is a computer, in particular, a quantum computer. To corroborate this idea we require tools to quantify the information processing. Here we review a theoretical framework for quantifying information processing in a quantum dynamical system. So-called intrinsic quantum computation combines tools from dynamical systems theory, information theory, quantum mechanics, and computation theory. We will review how far the framework has been developed and what some of the main open questions are. On the basis of this framework we discuss upper and lower bounds for intrinsic information storage in a quantum dynamical system.

Previous article Next article On the Extension of the Class of Stable DistributionsV. M. KruglovV. M. Kruglovhttps://doi.org/10.1137/1117081PDFBibTexSections ToolsAdd to favoritesExport CitationTrack CitationsEmail SectionsAbout[1] B. V. Gnedenko and , A. N. Kolmogorov, Limit Distributions for Sums of Independent Random Variables, Addison-Wesley, Cambridge, Mass., 1962 Google Scholar[2] Yu. V. Linnik, Decomposition of probability distributions, Edited by S. J. Taylor, Dover Publications Inc., New York, 1964xii+242 MR0189085 (32:6512) 0121.35502 Google Scholar[3] B. V. Gnedenko, Some theorems on distribution functions, Učenie Zapiski Moskovskogo Univ., 30 (1939), 61–82, (In Russian.) Google Scholar[4] V. M. Kruglov, A note on infinitely divisible distributions, Theory Prob. Applications, 15 (1970), 319–324 10.1137/1115038 0329.60011 LinkGoogle Scholar[5] I. A. Ibragimov and , Yu. V. Linnik, Independent and stationary sequences of random variables, Wolters-Noordhoff Publishing, Groningen, 1971, 443– MR0322926 (48:1287) 0219.60027 Google Scholar Previous article Next article FiguresRelatedReferencesCited byDetails Functional L.I.L. for the Upper Extremes of i.i.d. Random Variarbles from a Sub-class of Heavy Tailed Distributions31 October 2021 | Journal of the Indian Society for Probability and Statistics, Vol. 22, No. 2 Cross Ref Functional law of the iterated logarithm for partial sum processes of non-negative valued iid random variables belonging to the domain of partial attraction of a semi-stable lawStatistics & Probability Letters, Vol. 137 Cross Ref A Log Log Law for Subsequences of Delayed Random Sums27 July 2017 | Journal of the Indian Society for Probability and Statistics, Vol. 18, No. 2 Cross Ref Merging to Semistable ProcessesI. 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Trace preserving quantum dynamics using a novel reparametrization-neutral summation-by-parts difference operator

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.

A large body of evidence suggests that an approximate number sense allows humans to estimate numerosity in sensory scenes. This ability is widely observed in humans, including those without formal mathematical training. Despite this, many outstanding questions remain about the nature of the numerosity representation in the brain. Specifically, it is not known whether approximate numbers are represented as scalar estimates of numerosity or, alternatively, as probability distributions over numerosity. In the present study, we used a multisensory decision task to distinguish these possibilities. We trained human subjects to decide whether a test stimulus had a larger or smaller numerosity compared with a fixed reference. Depending on the trial, the numerosity was presented as either a sequence of visual flashes or a sequence of auditory tones, or both. To test for a probabilistic representation, we varied the reliability of the stimulus by adding noise to the visual stimuli. In accordance with a probabilistic representation, we observed a significant improvement in multisensory compared with unisensory trials. Furthermore, a trial-by-trial analysis revealed that although individual subjects showed strategic differences in how they leveraged auditory and visual information, all subjects exploited the reliability of unisensory cues. An alternative, nonprobabilistic model, in which subjects combined cues without regard for reliability, was not able to account for these trial-by-trial choices. These findings provide evidence that the brain relies on a probabilistic representation for numerosity decisions.

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.

The development of near-term quantum computers, referred to as Noisy Intermediate-Scale Quantum (NISQ) computers, has progressed rapidly in the past few years resulting in several quantum computers which vary in their underlying technology and physical constraints. The performance of these computers also varies from one quantum algorithm to another. To enable efficient selection of the quantum computer that provides the highest output fidelity for a given application, an accurate noise modeling of each quantum hardware is required. However, noise modeling for a given application is a complex problem because of the unknown interaction between the quantum circuit parameters and the noise parameters of NISQ devices. We propose the use of Machine Learning (ML) to model the performance of different quantum computers at the application level. The ML models predict the output fidelity of the quantum application executed on different quantum computers given their publicly available physical constraints. We use a diverse training dataset to cover the key features for application-level benchmarking of the quantum hardware. Our results obtained from different superconducting quantum devices show that our proposed ML models enable cost-effective quantum computer selection for different quantum applications with different fidelity metrics.

Quantum computing is attracting more and more attention in material and biological science. In the noisy intermediate-scale quantum (NISQ) computing era, the variational quantum eigensolver (VQE) is expected as an effective method to solve quantum chemistry problems which has potential quantum advantage. Classically simulating quantum algorithms plays a critical role in algorithmic development and the validation of noisy quantum devices before large-scale, fully fault-tolerant quantum computers are developed. However, most existing simulators are based on the state vector or density matrix representation of the quantum state which is faced with the memory bottleneck due to the exponential growth of memory requirement as the number of qubits increases. In this work, we present a VQE simulator based on the matrix product states (MPS) method from quantum many-body physics, and a detailed study of our MPS-VQE simulator in quantum chemistry applications. The memory requirement of MPS-VQE grows only polynomially and we demonstrate that accurate results can be obtained despite the truncation of the smallest singular values during the algorithm. A distributed parallelization scheme is also presented for massively parallel computer systems, and different implementations of the parallelization scheme based on the Julia language are benchmarked which demonstrate the efficiency and scalability of our method. Our method could open a new avenue towards large-scale classical simulation of quantum computational chemistry.

Two-dimensional photon-echo experiments indicate that excitation energy transfer between chromophores near the reaction center of the photosynthetic purple bacterium Rhodobacter sphaeroides occurs coherently with decoherence times of hundreds of femtoseconds, comparable to the energy transfer time scale in these systems. The original explanation of this observation suggested that correlated fluctuations in chromophore excitation energies, driven by large scale protein motions could result in long lived coherent energy transfer dynamics. However, no significant site energy correlation has been found in recent molecular dynamics simulations of several model light harvesting systems. Instead, there is evidence of correlated fluctuations in site energy-electronic coupling and electronic coupling-electronic coupling. The roles of these different types of correlations in excitation energy transfer dynamics are not yet thoroughly understood, though the effects of site energy correlations have been well studied. In this paper, we introduce several general models that can realistically describe the effects of various types of correlated fluctuations in chromophore properties and systematically study the behavior of these models using general methods for treating dissipative quantum dynamics in complex multi-chromophore systems. The effects of correlation between site energy and inter-site electronic couplings are explored in a two state model of excitation energy transfer between the accessory bacteriochlorophyll and bacteriopheophytin in a reaction center system and we find that these types of correlated fluctuations can enhance or suppress coherence and transfer rate simultaneously. In contrast, models for correlated fluctuations in chromophore excitation energies show enhanced coherent dynamics but necessarily show decrease in excitation energy transfer rate accompanying such coherence enhancement. Finally, for a three state model of the Fenna-Matthews-Olsen light harvesting complex, we explore the influence of including correlations in inter-chromophore couplings between different chromophore dimers that share a common chromophore. We find that the relative sign of the different correlations can have profound influence on decoherence time and energy transfer rate and can provide sensitive control of relaxation in these complex quantum dynamical open systems.

Recently, the dynamics of quantum systems that involve both unitary evolution and quantum measurements have attracted attention due to the exotic phenomenon of measurement-induced phase transitions. The latter refers to a sudden change in a property of a state of n qubits, such as its entanglement entropy, depending on the rate at which individual qubits are measured. At the same time, quantum complexity emerged as a key quantity for the identification of complex behaviour in quantum many-body dynamics. In this work, we investigate the dynamics of the quantum state complexity in monitored random circuits, where n qubits evolve according to a random unitary circuit and are individually measured with a fixed probability at each time step. We find that the evolution of the exact quantum state complexity undergoes a phase transition when changing the measurement rate. Below a critical measurement rate, the complexity grows at least linearly in time until {saturating to a value eΩ(n).} Above, the complexity does not exceed poly⁡(n). In our proof, we make use of percolation theory to find paths along which an exponentially long quantum computation can be run below the critical rate, and to identify events where the state complexity is reset to zero above the critical rate. We lower bound the exact state complexity in the former regime using recently developed techniques from algebraic geometry. Our results combine quantum complexity growth, phase transitions, and computation with measurements to help understand the behavior of monitored random circuits and to make progress towards determining the computational power of measurements in many-body systems.

By M. Denny and S. Gaines Princeton University Press (2002) pp. 424. ISBN 0-691-09494-2 (pbk) £ 19.95 / $29.95. ![Figure][1] As a teacher of introductory biology, I try very hard to instill in my students the fact that quantitative reasoning is an integral tool