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In quantum computing, error mitigation is a method to improve the results of an error-prone quantum processor by post-processing them on a classical computer. In this work, we improve the General Error Mitigation (GEM) method for scalability. GEM relies on the use of a matrix to represent the device error, which requires the execution of $2^{n+1}$ calibration circuits on the quantum hardware, where $n$ is the number of qubits. With our improved method, the number of calibration runs is independent of the number of qubits and depends only on the number of non-zero states in the output distribution. We run 1853 randomly generated circuits with widths between 2-7 qubits and depths between 10-140 gates on IBMQ superconducting devices. The experiments show that the mitigation works comparably well to GEM, while requiring a fraction of the calibration runs. Finally, an experiment to mitigate errors in a 100 qubit circuit demonstrates the scalable features of our method.

We report on the current state of factoring integers on both digital and analog quantum computers. For digital quantum computers, we study the effect of errors for which one can formally prove that Shor's factoring algorithm fails. For analog quantum computers, we experimentally test three factorisation methods and provide evidence for a scaling performance that is absolutely and asymptotically better than random guessing but still exponential. We conclude with an overview of future perspectives on factoring large integers on quantum computers.

The analysis of empirical data through model-free inequalities leads to the conclusion that violations of Bell-type inequalities by empirical data cannot have any significance unless one believes that the universe operates according to the rules of a mathematical model., Comment: Expanded version of the paper published in Annals of Physics 469 (2024) 169742. arXiv admin note: text overlap with arXiv:2304.03962

We investigate the Lindblad equation in the context of boundary-driven magnetization transport in spin-$1/2$ chains. Our central question is whether the nonequilibrium steady state of the open system, including its buildup in time, can be described on the basis of the dynamics in the closed system. To this end, we rely on a previous work [Phys. Rev. B 108, L201119 (2023)], where a description in terms of spatio-temporal correlation functions has been suggested in the case of weak driving and small system-bath coupling. Because this work has focused on integrable systems and periodic boundary conditions, we here extend the analysis in three directions: We (i) consider nonintegrable systems, (ii) take into account open boundary conditions and other bath-coupling geometries, and (iii) provide a comparison to time-evolving block decimation. While we find that nonintegrability plays a minor role, the choice of the specific boundary conditions can be crucial, due to potentially nondecaying edge modes. Our large-scale numerical simulations suggest that a description based on closed-system correlation functions is an useful alternative to already existing state-of-the-art approaches., Comment: 12 pages, 12 figures

Shor's factoring algorithm is one of the most anticipated applications of quantum computing. However, the limited capabilities of today's quantum computers only permit a study of Shor's algorithm for very small numbers. Here we show how large GPU-based supercomputers can be used to assess the performance of Shor's algorithm for numbers that are out of reach for current and near-term quantum hardware. First, we study Shor's original factoring algorithm. While theoretical bounds suggest success probabilities of only 3-4 %, we find average success probabilities above 50 %, due to a high frequency of "lucky" cases, defined as successful factorizations despite unmet sufficient conditions. Second, we investigate a powerful post-processing procedure, by which the success probability can be brought arbitrarily close to one, with only a single run of Shor's quantum algorithm. Finally, we study the effectiveness of this post-processing procedure in the presence of typical errors in quantum processing hardware. We find that the quantum factoring algorithm exhibits a particular form of universality and resilience against the different types of errors. The largest semiprime that we have factored by executing Shor's algorithm on a GPU-based supercomputer, without exploiting prior knowledge of the solution, is 549755813701 = 712321 * 771781. We put forward the challenge of factoring, without oversimplification, a non-trivial semiprime larger than this number on any quantum computing device., Comment: differs from the published version in formatting and style; open source code available at https://jugit.fz-juelich.de/qip/shorgpu

We take the point of view that building a one-way bridge from experimental data to mathematical models instead of the other way around avoids running into controversies resulting from attaching meaning to the symbols used in the latter. In particular, we show that adopting this view offers new perspectives for constructing mathematical models for and interpreting the results of Einstein-Podolsky-Rosen-Bohm experiments. We first prove new Bell-type inequalities constraining the values of the four correlations obtained by performing Einstein-Podolsky-Rosen-Bohm experiments under four different conditions. The proof is ``model-free'' in the sense that it does not refer to any mathematical model that one imagines to have produced the data. The constraints only depend on the number of quadruples obtained by reshuffling the data in the four data sets without changing the values of the correlations. These new inequalities reduce to model-free versions of the well-known Bell-type inequalities if the maximum fraction of quadruples is equal to one. Being model-free, a violation of the latter by experimental data implies that not all the data in the four data sets can be reshuffled to form quadruples. Furthermore, being model-free inequalities, a violation of the latter by experimental data only implies that any mathematical model assumed to produce this data does not apply. Starting from the data obtained by performing Einstein-Podolsky-Rosen-Bohm experiments, we construct instead of postulate mathematical models that describe the main features of these data. The mathematical framework of plausible reasoning is applied to reproducible and robust data, yielding without using any concept of quantum theory, the expression of the correlation for a system of two spin-1/2 objects in the singlet state. (truncated here), Comment: Corrected typo's, minor corrections in appendix B.3, major correction in section 11.4.2

State-of-the-art approaches to extract transport coefficients of many-body quantum systems broadly fall into two categories: (i) they target the linear-response regime in terms of equilibrium correlation functions of the closed system; or (ii) they consider an open-system situation typically modeled by a Lindblad equation, where a nonequilibrium steady state emerges from driving the system at its boundaries. While quantitative agreement between (i) and (ii) has been found for selected model and parameter choices, also disagreement has been pointed out in the literature. Studying magnetization transport in the spin-1/2 XXZ chain, we here demonstrate that at weak driving, the nonequilibrium steady state in an open system, including its buildup in time, can remarkably be constructed just on the basis of correlation functions in the closed system. We numerically illustrate this direct correspondence of closed-system and open-system dynamics, and show that it allows the treatment of comparatively large open systems, usually only accessible to matrix product state simulations. We also point out potential pitfalls when extracting transport coefficients from nonequilibrium steady states in finite systems., Comment: 7 pages, 4 figures (+ 4 pages, 4 figures), v2: updated manuscript and author list

We present a new inequality constraining correlations obtained when performing Einstein-Podolsky-Rosen-Bohm experiments. The proof does not rely on mathematical models that are imagined to have produced the data and is therefore ``model-free''. The new inequality contains the model-free version of the well-known Bell-CHSH inequality as a special case. A violation of the latter implies that not all the data pairs in four data sets can be reshuffled to create quadruples. This conclusion provides a new perspective on the implications of the violation of Bell-type inequalities by experimental data., Comment: Extended version of Annals of Physics, Volume 453, 169314, 2023 (https://doi.org/10.1016/j.aop.2023.169314)

Constructing a quantum computer requires immensely precise control over a quantum system. A lack of precision is often quantified by gate-error metrics, such as the average infidelity or the diamond distance. However, usually such gate-error metrics are only considered for individual gates, and not the errors that accumulate over consecutive gates. Furthermore, it is not well known how susceptible the metrics are to the assumptions which make up the model. Here, we investigate these issues using realistic simulation models of quantum computers with flux-tunable transmons and coupling resonators. Our main findings reveal that (1) gate-error metrics are indeed affected by the many assumptions of the model, (2) consecutive gate errors do not accumulate linearly, and (3) gate-error metrics are poor predictors for the performance of consecutive gates. Additionally, we discuss a potential limitation in the scalability of the studied device architecture., Comment: 28 pages, 13 figures and 25 tables

We report on two major hybrid applications of quantum computing, namely, the quantum approximate optimisation algorithm (QAOA) and the variational quantum eigensolver (VQE). Both are hybrid quantum classical algorithms as they require incremental communication between a classical central processing unit and a quantum processing unit to solve a problem. We find that the QAOA scales much better to larger problems than random guessing, but requires significant computational resources. In contrast, a coarsely discretised version of quantum annealing called approximate quantum annealing (AQA) can reach the same promising scaling behaviour using much less computational resources. For the VQE, we find reasonable results in approximating the ground state energy of the Heisenberg model when suitable choices of initial states and parameters are used. Our design and implementation of a general quasi-dynamical evolution further improves these results., Comment: This article is a book contribution. The book is freely available at http://hdl.handle.net/2128/31840

We present a comprehensive simulation study of the Newtonian and quantum model of a Stern-Gerlach experiment with cold neutrons.By solving Newton's equation of motion and the time-dependent Pauli equation, for a wide range of uniform magnetic field strengths, we scrutinize the role of the latter for drawing the conclusion that the magnetic moment of the neutron is quantized. We then demonstrate that a marginal modification of the Newtonian model suffices to construct, without invoking any concept of quantum theory, an event-based subquantum model that eliminates the shortcomings of the classical model and yields results that are in qualitative agreement with experiment and quantum theory. In this event-by-event model, the intrinsic angular momentum can take any value on the sphere, yet, for a sufficiently strong uniform magnetic field, the particle beam splits in two, exactly as in experiment and in concert with quantum theory.

We provide a detailed comparison between the dynamics of high-temperature spatiotemporal correlation functions in quantum and classical spin models. In the quantum case, our large-scale numerics are based on the concept of quantum typicality, which exploits the fact that random pure quantum states can faithfully approximate ensemble averages, allowing the simulation of spin-$1/2$ systems with up to $40$ lattice sites. Due to the exponentially growing Hilbert space, we find that for such system sizes even a single random state is sufficient to yield results with extremely low noise that is negligible for most practical purposes. In contrast, a classical analog of typicality is missing. In particular, we demonstrate that, in order to obtain data with a similar level of noise in the classical case, extensive averaging over classical trajectories is required, no matter how large the system size. Focusing on (quasi-)one-dimensional spin chains and ladders, we find a remarkably good agreement between quantum and classical dynamics. This applies not only to cases where both the quantum and classical model are nonintegrable, but also to cases where the quantum spin-$1/2$ model is integrable and the corresponding classical $s\to\infty$ model is not. Our analysis is based on the comparison of space-time profiles of the spin and energy correlation functions, where the agreement is found to hold not only in the bulk but also in the tails of the resulting density distribution. The mean-squared displacement of the density profiles reflects the nature of emerging hydrodynamics and is found to exhibit similar scaling for quantum and classical models., Comment: 14 pages, 9 figures

We use exact enumeration to characterize the solutions of quadratic unconstrained binary optimization problems of less than 21 variables in terms of their distributions of Hamming distances to close-by solutions. We also perform experiments with the D-Wave Advantage 5.1 quantum annealer, solving many instances of up to 170-variable, quadratic unconstrained binary optimization problems. Our results demonstrate that the exponents characterizing the success probability of a D-Wave annealer to solve a QUBO correlate very well with the predictions based on the Hamming distance distributions computed for small problem instances., Comment: 6 pages, 6 figures

The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for current and near-term quantum devices. Despite its initial success, there is a lack of understanding involving several of its key aspects. There are problems with VQE that forbid a favourable scaling towards quantum advantage. In order to alleviate the problems, we propose and extensively test a quantum annealing inspired heuristic that supplements VQE. The improved VQE enables an efficient initial state preparation mechanism, in a recursive manner, for a quasi-dynamical unitary evolution. We conduct an in-depth scaling analysis of finding the ground state energies with increasing lattice sizes of the Heisenberg model, employing simulations of up to $40$ qubits that manipulate the complete state vector. For the current devices, we further propose a benchmarking toolkit using a mean-field model and test it on IBM Q devices. The improved VQE avoids barren plateaus, exits local minima, and works with low-depth circuits. Realistic gate execution times estimate a longer computational time to complete the same computation on a fully functional error-free quantum computer than on a quantum computer emulator implemented on a classical computer. However, our proposal can be expected to help accurate estimations of the ground state energies beyond $50$ qubits when the complete state vector can no longer be stored on a classical computer, thus enabling quantum advantage.

In recent years, quantum annealing has gained the status of being a promising candidate for solving various optimization problems. Using a set of hard 2-satisfiabilty (2-SAT) problems, consisting of upto 18-variables problems, we analyze the scaling complexity of the quantum annealing algorithm and study the distributions of the minimum energy gap and the success probability. We extend the analysis of the standard quantum annealing Hamiltonian by introducing an additional term, the trigger Hamiltonian, which can be of two types : ferromagnetic and antiferromagnetic. We use these trigger Hamiltonians to study their influence on the success probability for solving the selected 2-SAT problems. We found that although the scaling of the run-time is exponential for the standard and modified quantum annealing Hamiltonians, the scaling constant in case of adding the trigger Hamiltonians can be significantly smaller. Furthermore, certain choices for the trigger Hamiltonian and annealing times can result in a better scaling than that for simulated annealing. Lastly, we also use the quantum annealers of D-Wave Systems Inc. to study their performance in solving the 2-SAT problems and compare it with the simulation results., Comment: 17 pages, 14 figures

We present and analyze large-scale simulation results of a hybrid quantum-classical variational method to calculate the ground state energy of the anti-ferromagnetic Heisenberg model. Using a massively parallel universal quantum computer simulator, we observe that a low-depth-circuit ansatz advantageously exploits the efficiently preparable N\'{e}el initial state, avoids potential barren plateaus, and works for both one- and two-dimensional lattices. The analysis reflects the decisive ingredients required for a simulation by comparing different ans\"{a}tze, initial parameters, and gradient-based versus gradient-free optimizers. Extrapolation to the thermodynamic limit accurately yields the analytical value for the ground state energy, given by the Bethe ansatz. We predict that a fully functional quantum computer with 100 qubits can calculate the ground state energy with a relatively small error.

Simulations and analytical calculations that aim to describe flux-tunable transmons are usually based on effective models of the corresponding lumped-element model. However, when a control pulse is applied, in most cases it is not known how much the predictions made with the effective models deviate from the predictions made with the original lumped-element model. In this work we compare the numerical solutions of the time-dependent Schr\"odinger equation for both the effective and the lumped-element models, for microwave and unimodal control pulses (external fluxes). These control pulses are used to model single-qubit (X) and two-qubit gate (Iswap and Cz) transitions. First, we derive a non-adiabatic effective Hamiltonian for a single flux-tunable transmon and compare the pulse response of this model to the one of the corresponding circuit Hamiltonian. Here we find that both models predict similar outcomes for similar control pulses. Then, we study how different approximations affect single-qubit (X) and two-qubit gate (Iswap and Cz) transitions in two different two-qubit systems. For this purpose we consider three different systems in total: a single flux-tunable transmon and two two-qubit systems. In summary, we find that a series of commonly applied approximations (individually and/or in combination) can change the response of a system substantially, when a control pulse is applied.

We study the performance of quantum annealing for two sets of problems, namely, 2-satisfiability (2-SAT) problems represented by Ising-type Hamiltonians, and nonstoquastic problems which are obtained by adding extra couplings to the 2-SAT problem Hamiltonians. In addition, we add to the transverse Ising-type Hamiltonian used for quantum annealing a third term, the trigger Hamiltonian with ferromagnetic or antiferromagnetic couplings, which vanishes at the beginning and end of the annealing process. We also analyze some problem instances using the energy spectrum, average energy or overlap of the state during the evolution with the instantaneous low lying eigenstates of the Hamiltonian, and identify some non-adiabatic mechanisms which can enhance the performance of quantum annealing., Comment: 16 pages, 17 figures

We benchmark the quantum processing units of the largest quantum annealers to date, the 5000+ qubit quantum annealer Advantage and its 2000+ qubit predecessor D-Wave 2000Q, using tail assignment and exact cover problems from aircraft scheduling scenarios. The benchmark set contains small, intermediate, and large problems with both sparsely connected and almost fully connected instances. We find that Advantage outperforms D-Wave 2000Q for almost all problems, with a notable increase in success rate and problem size. In particular, Advantage is also able to solve the largest problems with 120 logical qubits that D-Wave 2000Q cannot solve anymore. Furthermore, problems that can still be solved by D-Wave 2000Q are solved faster by Advantage. We find, however, that D-Wave 2000Q can achieve better success rates for sparsely connected problems that do not require the many new couplers present on Advantage, so improving the connectivity of a quantum annealer does not per se improve its performance., Comment: new experiments to test the conjecture about unused couplers (appendix B)

We study large-scale applications using a GPU-accelerated version of the massively parallel J\"ulich universal quantum computer simulator (JUQCS--G). First, we benchmark JUWELS Booster, a GPU cluster with 3744 NVIDIA A100 Tensor Core GPUs. Then, we use JUQCS--G to study the relation between quantum annealing (QA) and the quantum approximate optimization algorithm (QAOA). We find that a very coarsely discretized version of QA, termed approximate quantum annealing (AQA), performs surprisingly well in comparison to the QAOA. It can either be used to initialize the QAOA, or to avoid the costly optimization procedure altogether. Furthermore, we study the scaling of the success probability when using AQA for problems with 30 to 40 qubits. We find that the case with the largest discretization error scales most favorably, surpassing the best result obtained from the QAOA., Comment: Updated to match published version in Computer Physics Communications

We present a comprehensive comparison of spin and energy dynamics in quantum and classical spin models on different geometries, ranging from one-dimensional chains, over quasi-one-dimensional ladders, to two-dimensional square lattices. Focusing on dynamics at formally infinite temperature, we particularly consider the autocorrelation functions of local densities, where the time evolution is governed either by the linear Schr\"odinger equation in the quantum case, or the nonlinear Hamiltonian equations of motion in the case of classical mechanics. While, in full generality, a quantitative agreement between quantum and classical dynamics can therefore not be expected, our large-scale numerical results for spin-$1/2$ systems with up to $N = 36$ lattice sites in fact defy this expectation. Specifically, we observe a remarkably good agreement for all geometries, which is best for the nonintegrable quantum models in quasi-one or two dimensions, but still satisfactory in the case of integrable chains, at least if transport properties are not dominated by the extensive number of conservation laws. Our findings indicate that classical or semi-classical simulations provide a meaningful strategy to analyze the dynamics of quantum many-body models, even in cases where the spin quantum number $S = 1/2$ is small and far away from the classical limit $S \to \infty$., Comment: 11 pages, 7 figures

A general method to mitigate the effect of errors in quantum circuits is outlined. The method is developed in sight of characteristics that an ideal method should possess and to ameliorate an existing method which only mitigates state preparation and measurement errors. The method is tested on different IBM Q quantum devices, using randomly generated circuits with up to four qubits. A large majority of results show significant error mitigation.

We review and extend, in a self-contained way, the mathematical foundations of numerical simulation methods that are based on the use of random states. The power and versatility of this simulation technology is illustrated by calculations of physically relevant properties such as the density of states of large single particle systems, the specific heat, current-current correlations, density-density correlations, and electron spin resonance spectra of many-body systems. We explore a new field of applications of the random state technology by showing that it can be used to analyze numerical simulations and experiments that aim to realize quantum supremacy on a noisy intermediate-scale quantum processor. Additionally, we show that concepts of the random state technology prove useful in quantum information theory.

We use discrete-event simulation to construct a subquantum model that can reproduce the quantum-theoretical prediction for the statistics of data produced by the Einstein-Podolsky-Rosen-Bohm experiment and an extension thereof. This model satisfies Einstein's criterion of locality and generates data in an event-by-event and cause-and-effect manner. We show that quantum theory can describe the statistics of the simulation data for a certain range of model parameters only.

We use discrete-event simulation on a digital computer to study two different models of experimentally realizable quantum walks. The simulation models comply with Einstein locality, are as "realistic" as the one of the simple random walk in that the particles follow well-defined trajectories, are void of concepts such as particle-wave duality and wave-function collapse, and reproduce the quantum-theoretical results by means of a cause-and-effect, event-by-event process. Our simulation model for the quantum walk experiment presented in [C. Robens et al., Phys. Rev. X 5, 011003 (2015)] reproduces the result of that experiment. Therefore, the claim that the result of the experiment "rigorously excludes (i.e., falsifies) any explanation of quantum transport based on classical, well-defined trajectories" needs to be revised., Comment: open source code available at https://jugit.fz-juelich.de/qip/quantum-walk

The protection of qubit coherence is an essential task in order to build a practical quantum computer able to manipulate, store and read quantum information with a high degree of fidelity. Recently, it has been proposed to increase the operation time of a qubit by means of strong pulses to achieve a dynamical decoupling of the qubit from its environment. We propose and demonstrate a simple and highly efficient alternative pulse protocol based on Floquet modes, which increases the decoherence time in a number of materials with different spin Hamiltonians and environments. We demonstrate the regime $T_2\approx T_1$, thus providing a route for spin qubits and spin ensembles to be used in quantum information processing and storage., Comment: Supplementary informations at the end of the file

We use a massively parallel simulator of a universal quantum computer to benchmark some of the most powerful supercomputers in the world. We find nearly ideal scaling behavior on the Sunway TaihuLight, the K computer, the IBM BlueGene/Q JUQUEEN, and the Intel Xeon based clusters JURECA and JUWELS. On the Sunway TaihuLight and the K computer, universal quantum computers with up to 48 qubits can be simulated by means of an adaptive two-byte encoding to reduce the memory requirements by a factor of eight. Additionally, we discuss an alternative approach to alleviate the memory bottleneck by decomposing entangling gates such that low-depth circuits with a much larger number of qubits can be simulated., Comment: This article is a book contribution based on arXiv:1805.04708

The performance of the quantum approximate optimization algorithm is evaluated by using three different measures: the probability of finding the ground state, the energy expectation value, and a ratio closely related to the approximation ratio. The set of problem instances studied consists of weighted MaxCut problems and 2-satisfiability problems. The Ising model representations of the latter possess unique ground states and highly-degenerate first excited states. The quantum approximate optimization algorithm is executed on quantum computer simulators and on the IBM Q Experience. Additionally, data obtained from the D-Wave 2000Q quantum annealer is used for comparison, and it is found that the D-Wave machine outperforms the quantum approximate optimization algorithm executed on a simulator. The overall performance of the quantum approximate optimization algorithm is found to strongly depend on the problem instance., Comment: Version after the referee process. Published in Quantum Information Processing

Given a quantum many-body system and the expectation-value dynamics of some operator, we study how this reference dynamics is altered due to a perturbation of the system's Hamiltonian. Based on projection operator techniques, we unveil that if the perturbation exhibits a random-matrix structure in the eigenbasis of the unperturbed Hamiltonian, then this perturbation effectively leads to an exponential damping of the original dynamics. Employing a combination of dynamical quantum typicality and numerical linked cluster expansions, we demonstrate that our theoretical findings for random matrices can, in some cases, be relevant for the dynamics of realistic quantum many-body models as well. Specifically, we study the decay of current autocorrelation functions in spin-$1/2$ ladder systems, where the rungs of the ladder are treated as a perturbation to the otherwise uncoupled legs. We find a convincing agreement between the exact dynamics and the lowest-order prediction over a wide range of interchain couplings., Comment: 11 pages, 8 figures

The real-time flux dynamics of up to three superconducting quantum interference devices (SQUIDs) are studied by numerically solving the time-dependent Schr\"odinger equation. The numerical results are used to scrutinize the mapping of the flux degrees of freedom onto two-level systems (the qubits) as well as the performance of the intermediate SQUID as a tunable coupling element. It is shown that the qubit representation yields a good description of the flux dynamics during quantum annealing and the presence of the tunable coupling element does not have negative effects on the overall performance. Additionally, data obtained from a simulation of the dynamics of two-level systems during quantum annealing are compared to experimental data produced by the D-Wave 2000Q quantum annealer. The effects of finite temperature are incorporated in the simulation by coupling the qubit system to a bath of two-level systems. It is shown that an environment modeled as non-interacting two-level systems coupled to the qubits can produce data which matches the experimental data much better than the simulation data of the qubits without coupling to an environment and better than data obtained from a simulation of an environment modeled as interacting two-level systems coupling to the qubits., Comment: improved structure and introduction and minor changes after the referee process

Kernel-based support vector machines (SVMs) are supervised machine learning algorithms for classification and regression problems. We introduce a method to train SVMs on a D-Wave 2000Q quantum annealer and study its performance in comparison to SVMs trained on conventional computers. The method is applied to both synthetic data and real data obtained from biology experiments. We find that the quantum annealer produces an ensemble of different solutions that often generalizes better to unseen data than the single global minimum of an SVM trained on a conventional computer, especially in cases where only limited training data is available. For cases with more training data than currently fits on the quantum annealer, we show that a combination of classifiers for subsets of the data almost always produces stronger joint classifiers than the conventional SVM for the same parameters., Comment: corrected typo in Eq. (11) and relation to SVM variant on p. 4; open source code available at https://gitlab.version.fz-juelich.de/cavallaro1/svm_quantum-annealer

The dynamics of magnetization and energy densities are studied in the two-leg spin-1/2 ladder. Using an efficient pure-state approach based on the concept of typicality, we calculate spatio-temporal correlation functions for large systems with up to 40 lattice sites. In addition, two subsequent Fourier transforms from real to momentum space as well as from time to frequency domain yield the respective dynamic structure factors. Summarizing our main results, we unveil the existence of genuine diffusion both for spin and energy. In particular, this finding is based on four distinct signatures which can all be equally well detected: (i) Gaussian density profiles, (ii) time-independent diffusion coefficients, (iii) exponentially decaying density modes, and (iv) Lorentzian line shapes of the dynamic structure factor. The combination of (i) - (iv) provides a comprehensive picture of high-temperature dynamics in thisarchetypal nonintegrable quantum model., Comment: 12 pages, 11 figures

We study the effect of the anneal path control per qubit, a new user control feature offered on the D-Wave 2000Q quantum annealer, on the performance of quantum annealing for solving optimization problems by numerically solving the time-dependent Schr\"odinger equation for the time-dependent Hamiltonian modeling the annealing problems. The anneal path control is thereby modeled as a modified linear annealing scheme, resulting in an advanced and retarded scheme. The considered optimization problems are 2-SAT problems with 12 Boolean variables, a known unique ground state and a highly degenerate first excited state. We show that adjustment of the anneal path control can result in a widening of the minimal spectral gap by one or two orders of magnitude and an enhancement of the success probability of finding the solution of the optimization problem. We scrutinize various iterative methods based on the spin floppiness, the average spin value, and on the average energy and describe their performance in boosting the quantum annealing process., Comment: Corrected mistake in Fig.2

When transmitting polarised light through histological brain sections, different types of diattenuation (polarisation-dependent attenuation of light) can be observed: In some brain regions, the light is minimally attenuated when it is polarised parallel to the nerve fibres (referred to as D+), in others, it is maximally attenuated (referred to as D-). The underlying mechanisms of these effects and their relationship to tissue properties were so far unknown. Here, we demonstrate in experimental studies that diattenuation of both types D+ and D- can be observed in brain tissue samples from different species (rodent, monkey, and human) and that the strength and type of diattenuation depend on the nerve fibre orientations. By combining finite-difference time-domain simulations and analytical modelling, we explain the observed diattenuation effects and show that they are caused both by anisotropic absorption (dichroism) and by anisotropic light scattering. Our studies demonstrate that the diattenuation signal depends not only on the nerve fibre orientations but also on other brain tissue properties like tissue homogeneity, fibre size, and myelin sheath thickness. This allows to use the diattenuation signal to distinguish between brain regions with different tissue properties and establishes Diattenuation Imaging as a valuable imaging technique., Comment: 18 pages, 9 figures

In many laboratories, conventional bright-field transmission microscopes are available to study the structure and organization principles of fibrous tissue samples, but they usually provide only 2D information. To access the third (out-of-plane) dimension, more advanced techniques are employed. An example is 3D Polarized Light Imaging (3D-PLI), which measures the birefringence of histological brain sections to derive the spatial nerve fiber orientations. Here, we show how light scattering in transmission microscopy measurements can be leveraged to gain 3D structural information about fibrous tissue samples like brain tissue. For this purpose, we developed a simulation framework using finite-difference time-domain (FDTD) simulations and high performance computing, which can easily be adapted to other microscopy techniques and tissue types with comparable fibrous structures (e.g., muscle fibers, collagen, or artificial fibers). As conventional bright-field transmission microscopy provides usually only 2D information about tissue structures, a three-dimensional reconstruction of fibers across several sections is difficult. By combining our simulations with experimental studies, we show that the polarization-independent transmitted light intensity (transmittance) contains 3D information: We demonstrate in several experimental studies on brain sections from different species (rodent, monkey, human) that the transmittance decreases significantly (by more than 50%) with the increasing out-of-plane angle of the nerve fibers. Our FDTD simulations show that this decrease is mainly caused by polarization-independent light scattering in combination with the finite numerical aperture of the imaging system. This allows to use standard transmission microscopy techniques to obtain 3D information about the fiber inclination and to detect steep fibers, without need for additional measurements., Comment: 33 pages, 19 figures

We introduce the notion of "separation of conditions" meaning that a description of statistical data obtained from experiments, performed under a set of different conditions, allows for a decomposition such that each partial description depends on mutually exclusive subsets of these conditions. Descriptions that allow a separation of conditions are shown to entail the basic mathematical framework of quantum theory. The Stern-Gerlach and the Einstein-Podolsky-Rosen-Bohm experiment with three, respectively nine possible outcomes are used to illustrate how the separation of conditions can be used to construct their quantum theoretical descriptions. It is shown that the mathematical structure of separated descriptions implies that, under certain restrictions, the time evolution of the data can be described by the von Neumann/Schr\"odinger equation., Comment: Complete rewrite, except for the technical parts. Accepted for publication in Ann. Phys

A revised version of the massively parallel simulator of a universal quantum computer, described in this journal eleven years ago, is used to benchmark various gate-based quantum algorithms on some of the most powerful supercomputers that exist today. Adaptive encoding of the wave function reduces the memory requirement by a factor of eight, making it possible to simulate universal quantum computers with up to 48 qubits on the Sunway TaihuLight and on the K computer. The simulator exhibits close-to-ideal weak-scaling behavior on the Sunway TaihuLight,on the K computer, on an IBM Blue Gene/Q, and on Intel Xeon based clusters, implying that the combination of parallelization and hardware can track the exponential scaling due to the increasing number of qubits. Results of executing simple quantum circuits and Shor's factorization algorithm on quantum computers containing up to 48 qubits are presented., Comment: Substantially rewritten + new data. Published in Computer Physics Communication

We give a microscopic description of the optical bistability, where the transmission coefficient has two different values as a function of input light intensity, and the system exhibits a discontinuous jump with a hysteresis loop. We developed an efficient numerical algorithm to treat the quantum master equation for hybridized systems of many photons and a large number of two-level atoms. By using this method, we characterize the bistability from the viewpoint of eigenmodes and eigenvalues of the time evolution operator of the quantum master equation. We investigate the optical bistability within the low photon-density regime, where the hybridization of photon and atom degrees of freedom occurs and the resonance spectrum has a double peak structure. We compared it with the standard optical bistability between the low photon-density regime and the high photon-density regime, where the photons can be treated as a classical electromagnetic field and the resonance spectrum has a single peak structure. We discuss the steady-state properties of the optical bistability: dependencies of the photon number density on the intensity and the double peak structure of the photon number distribution inside the bistable region. As for the dynamical properties, we find that the relaxation timescale shows an exponential growth with the system size, and reveal how the hysteresis loop of the optical bistability depends on the size of the system and the sweeping rate of the driving amplitude. Finally, by investigating the effects of detuning frequency of the input field, we clarify the characteristic properties of the present optical bistability within the low photon-density regime, which are qualitatively different from the standard optical bistable phenomena., Comment: 14 pages

For a class of typical states, the real-time and real-space dynamics of non-equilibrium density profiles has been recently studied for integrable models, i.e. the spin-1/2 XXZ chain [PRB 95, 035155 (2017)] and the Fermi-Hubbard chain [PRE 96, 020105 (2017)]. It has been found that the non-equilibrium dynamics agrees with linear response theory. Moreover, in the regime of strong interactions, clear signatures of diffusion have been observed. However, this diffusive behavior strongly depends on the choice of the initial state and disappears for untypical states without internal randomness. In the present work, we address the question whether or not the above findings persist for non-integrable models. As a first step, we study the spin-1/2 XXZ chain, where integrability can be broken due to an additional next-nearest neighbor interaction. Furthermore, we analyze the differences of typical and untypical initial states on the basis of their entanglement and their local density of states., Comment: 15 pages, 15 figures

It is shown that by fitting a Markovian quantum master equation to the numerical solution of the time-dependent Schr\"odinger equation of a system of two spin-1/2 particles interacting with a bath of up to 34 spin-1/2 particles, the former can describe the dynamics of the two-spin system rather well. The fitting procedure that yields this Markovian quantum master equation accounts for all non-Markovian effects in as much the general structure of this equation allows and yields a description that is incompatible with the Lindblad equation., Comment: arXiv admin note: text overlap with arXiv:1605.06609

It is shown that discrete-event simulation accurately reproduces the experimental data of a single-neutron interferometry experiment [T. Denkmayr {\sl et al.}, Nat. Commun. 5, 4492 (2014)] and provides a logically consistent, paradox-free, cause-and-effect explanation of the quantum Cheshire cat effect without invoking the notion that the neutron and its magnetic moment separate. Describing the experimental neutron data using weak-measurement theory is shown to be useless for unravelling the quantum Cheshire cat effect.

With the advent of public access to small gate-based quantum processors, it becomes necessary to develop a benchmarking methodology such that independent researchers can validate the operation of these processors. We explore the usefulness of a number of simple quantum circuits as benchmarks for gate-based quantum computing devices and show that circuits performing identity operations are very simple, scalable and sensitive to gate errors and are therefore very well suited for this task. We illustrate the procedure by presenting benchmark results for the IBM Quantum Experience, a cloud-based platform for gate-based quantum computing., Comment: Accepted for publication in Computer Physics Communications

We present a detailed analysis of the set theoretical proof of Wigner for Bell type inequalities with the following result. Wigner introduced a crucial assumption that is not related to Einstein's local realism, but instead, without justification, to the existence of certain joint probability measures for possible and actual measurement outcomes of Einstein-Podolsky-Rosen (EPR) experiments. His conclusions about Einstein's local realism are, therefore, not applicable to EPR experiments and the contradiction of the experimental outcomes to Wigner's results has no bearing on the validity of Einstein's local realism., Comment: Revised Table 1 (after publication)

The ESR (Electron Spin Resonance) spectrum of the XXZ spin chain with finite length shows a double-peak structure at high temperatures around the EPR (Electron Paramagnetic Resonance) resonance frequency. This fact has been pointed out by direct numerical methods (S. El Shawish, O. Cepas and S. Miyashita; H. Ikeuchi, H. De Raedt, S. Bertaina and S. Miyashita). On the other hand, at low temperatures the spectrum has a single peak with a finite shift from the frequency of EPR as predicted by the analysis of field theoretical works (M. Oshikawa and I. Affleck). We study how the spectrum changes with the temperature, and also we study the size-dependence of the line shape including the even-odd effect. In order to understand those dependences, we introduce a decomposition of the spectrum into contributions from transitions specified by magnetization, and we characterize the structure of the spectrum by individual contributions. Applying the moment method introduced by M. Brockman et al., to each component, we analyze the size-dependence of the structure of the spectrum, which supports the numerical observation that separation of the double-peak structure vanishes inversely with the size., Comment: 11 pages, 10 figures

In 1862, George Boole derived an inequality for variables, now known as Boolean variables, that in his opinion represents a demarcation line between possible and impossible experience. This inequality forms an important milestone in the epistemology of probability theory and probability measures. In 1985 Leggett and Garg derived a physics related inequality, mathematically identical to Boole's, that according to them represents a demarcation between macroscopic realism and quantum mechanics. Their formalism, constructed for the magnetic flux of SQUIDS, includes general features and applies also to many other quantum experiments. We show that a wide gulf, a wide divide, separates the "sense impressions" and corresponding data, as well as the postulates of macroscopic realism, from the mathematical abstractions that are used to derive the inequality of Leggett-Garg. If the gulf can be bridged, one may indeed derive the said inequality, which is then clearly a demarcation between possible and impossible experience: it cannot be violated and is not violated by quantum theory. We deduce from this fact that a violation of the Leggett-Garg inequality does not mean that the SQUID-flux is not there when nobody looks, as Leggett-Garg suggest, but instead that the probability measures may not be what Leggett-Garg have assumed them to be, when no data can be secured that directly relate to them. We show that similar considerations apply to other well known quantum interpretation-puzzles including that of the two-slit experiment., Comment: Added two paragraphs + references to discuss recent experiment

Counterfactual definiteness must be used as at least one of the postulates or axioms that are necessary to derive Bell-type inequalities. It is considered by many to be a postulate that is not only commensurate with classical physics (as for example Einstein's special relativity), but also separates and distinguishes classical physics from quantum mechanics. It is the purpose of this paper to show that Bell's choice of mathematical functions and independent variables implicitly includes counterfactual definiteness and reduces the generality of the physics of Bell-type theories so significantly that no meaningful comparison of these theories with actual Einstein-Podolsky-Rosen experiments can be made.

John Bell is generally credited to have accomplished the remarkable "proof" that any theory of physics, which is both Einstein-local and "realistic" (counterfactually definite), results in a strong upper bound to the correlations that are measured in space and time. He thus predicts that Einstein-Podolsky-Rosen experiments cannot violate Bell- type inequalities. We present a counterexample to this claim, based on discrete-event computer simulations. Our model-results fully agree with the predictions of quantum theory for Einstein-Podolsky-Rosen-Bohm experiments and are free of the detection- or a coincidence-loophole.

Three-dimensional Polarized Light Imaging (3D-PLI) is a promising technique to reconstruct the nerve fiber architecture of human post-mortem brains from birefringence measurements of histological brain sections with micrometer resolution. To better understand how the reconstructed fiber orientations are related to the underlying fiber structure, numerical simulations are employed. Here, we present two complementary simulation approaches that reproduce the entire 3D-PLI analysis: First, we give a short review on a simulation approach that uses the Jones matrix calculus to model the birefringent myelin sheaths. Afterwards, we introduce a more sophisticated simulation tool: a 3D Maxwell solver based on a Finite-Difference Time-Domain algorithm that simulates the propagation of the electromagnetic light wave through the brain tissue. We demonstrate that the Maxwell solver is a valuable tool to better understand the interaction of polarized light with brain tissue and to enhance the accuracy of the fiber orientations extracted by 3D-PLI., Comment: 13 pages, 5 figures