arXiv subjects

Kristel Michielsen

Publications and source records attributed to Kristel Michielsen.

At least 55 records · Page 3Linked to original sources

arXiv2024

Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their simulation, analysis, and data resources. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. In this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions.

quant-ph↗

arXiv2024

Einstein-Podolsky-Rosen-Bohm experiments: a discrete data driven approach

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)

quant-ph↗

arXiv2024

Can foreign exchange rates violate Bell inequalities?

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.

quant-ph↗

arXiv2024

Stirring the false vacuum via interacting quantized bubbles on a 5564-qubit quantum annealer

False vacuum decay is a potential mechanism governing the evolution of the early Universe, with profound connections to non-equilibrium quantum physics, including quenched dynamics, the Kibble-Zurek mechanism, and dynamical metastability. The non-perturbative character of the false vacuum decay and the scarcity of its experimental probes make the effect notoriously difficult to study, with many basic open questions, such as how the bubbles of true vacuum form, move and interact with each other. Here we utilize a quantum annealer with 5564 superconducting flux qubits to directly observe quantized bubble formation in real time -- the hallmark of false vacuum decay dynamics. Moreover, we develop an effective model that describes the initial bubble creation and subsequent interaction effects. We demonstrate that the effective model remains accurate in the presence of dissipation, showing that our annealer can access coherent scaling laws in driven many-body dynamics of 5564 qubits for over $1μ$s, i.e., more than 1000 intrinsic qubit time units. This work sets the stage for exploring late-time dynamics of the false vacuum at computationally intractable system sizes, dimensionality, and topology in quantum annealer platforms.

quant-ph↗

arXiv2024

Unbalanced penalization: A new approach to encode inequality constraints of combinatorial problems for quantum optimization algorithms

Solving combinatorial optimization problems of the kind that can be codified by quadratic unconstrained binary optimization (QUBO) is a promising application of quantum computation. Some problems of this class suitable for practical applications such as the traveling salesman problem (TSP), the bin packing problem (BPP), or the knapsack problem (KP) have inequality constraints that require a particular cost function encoding. The common approach is the use of slack variables to represent the inequality constraints in the cost function. However, the use of slack variables considerably increases the number of qubits and operations required to solve these problems using quantum devices. In this work, we present an alternative method that does not require extra slack variables and consists of using an unbalanced penalization function to represent the inequality constraints in the QUBO. This function is characterized by larger penalization when the inequality constraint is not achieved than when it is. We evaluate our approach on the TSP, BPP, and KP, successfully encoding the optimal solution of the original optimization problem near the ground state cost Hamiltonian. Additionally, we employ D-Wave Advantage and D-Wave hybrid solvers to solve the BPP, surpassing the performance of the slack variables approach by achieving solutions for up to 29 items, whereas the slack variables approach only handles up to 11 items. This new approach can be used to solve combinatorial problems with inequality constraints with a reduced number of resources compared to the slack variables approach using quantum annealing or variational quantum algorithms.

quant-ph↗

arXiv2024

Lindblad dynamics from spatio-temporal correlation functions in nonintegrable spin-1/2 chains with different boundary conditions

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.

cond-mat.stat-mech↗

arXiv2024

Guided quantum walk

We utilize the theory of local amplitude transfers (LAT) to gain insights into quantum walks (QWs) and quantum annealing (QA) beyond the adiabatic theorem. By representing the eigenspace of the problem Hamiltonian as a hypercube graph, we demonstrate that probability amplitude traverses the search space through a series of local Rabi oscillations. We argue that the amplitude movement can be systematically guided towards the ground state using a time-dependent hopping rate based solely on the problem's energy spectrum. Building upon these insights, we extend the concept of multi-stage QW by introducing the guided quantum walk (GQW) as a bridge between QW-like and QA-like procedures. We assess the performance of the GQW on exact cover, traveling salesperson and garden optimization problems with 9 to 30 qubits. Our results provide evidence for the existence of optimal annealing schedules, beyond the requirement of adiabatic time evolutions. These schedules might be capable of solving large-scale combinatorial optimization problems within evolution times that scale linearly in the problem size.

quant-ph↗

arXiv2023

Spin-1/2 XXZ chain coupled to two Lindblad baths: Constructing nonequilibrium steady states from equilibrium correlation functions

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.

cond-mat.stat-mech↗

arXiv2023

Large-Scale Simulation of Shor's Quantum Factoring Algorithm

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.

quant-ph↗

arXiv2023

On the fragility of gate-error metrics in simulation models of flux-tunable transmon quantum computers

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.

quant-ph↗

arXiv2023

Improving Performance in Combinatorial Optimization Problems with Inequality Constraints: An Evaluation of the Unbalanced Penalization Method on D-Wave Advantage

Combinatorial optimization problems are one of the target applications of current quantum technology, mainly because of their industrial relevance, the difficulty of solving large instances of them classically, and their equivalence to Ising Hamiltonians using the quadratic unconstrained binary optimization (QUBO) formulation. Many of these applications have inequality constraints, usually encoded as penalization terms in the QUBO formulation using additional variables known as slack variables. The slack variables have two disadvantages: (i) these variables extend the search space of optimal and suboptimal solutions, and (ii) the variables add extra qubits and connections to the quantum algorithm. Recently, a new method known as unbalanced penalization has been presented to avoid using slack variables. This method offers a trade-off between additional slack variables to ensure that the optimal solution is given by the ground state of the Ising Hamiltonian, and using an unbalanced heuristic function to penalize the region where the inequality constraint is violated with the only certainty that the optimal solution will be in the vicinity of the ground state. This work tests the unbalanced penalization method using real quantum hardware on D-Wave Advantage for the traveling salesman problem (TSP). The results show that the unbalanced penalization method outperforms the solutions found using slack variables and sets a new record for the largest TSP solved with quantum technology.

quant-ph↗

arXiv2023

A Single-Step Multiclass SVM based on Quantum Annealing for Remote Sensing Data Classification

In recent years, the development of quantum annealers has enabled experimental demonstrations and has increased research interest in applications of quantum annealing, such as in quantum machine learning and in particular for the popular quantum SVM. Several versions of the quantum SVM have been proposed, and quantum annealing has been shown to be effective in them. Extensions to multiclass problems have also been made, which consist of an ensemble of multiple binary classifiers. This work proposes a novel quantum SVM formulation for direct multiclass classification based on quantum annealing, called Quantum Multiclass SVM (QMSVM). The multiclass classification problem is formulated as a single Quadratic Unconstrained Binary Optimization (QUBO) problem solved with quantum annealing. The main objective of this work is to evaluate the feasibility, accuracy, and time performance of this approach. Experiments have been performed on the D-Wave Advantage quantum annealer for a classification problem on remote sensing data. The results indicate that, despite the memory demands of the quantum annealer, QMSVM can achieve accuracy that is comparable to standard SVM methods and, more importantly, it scales much more efficiently with the number of training examples, resulting in nearly constant time. This work shows an approach for bringing together classical and quantum computation, solving practical problems in remote sensing with current hardware.

cs.LG↗

arXiv2023

Improved variational quantum eigensolver via quasi-dynamical evolution

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.

quant-ph↗

arXiv2023

Model-free inequality for data of Einstein-Podolsky-Rosen-Bohm experiments

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.

quant-ph↗

arXiv2022

Spatiotemporal dynamics of classical and quantum density profiles in low-dimensional spin systems

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.

cond-mat.stat-mech↗

arXiv2022

Hybrid Quantum Classical Simulations

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.

quant-ph↗

arXiv2022

Numerical analysis of effective models for flux-tunable transmon systems

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 Schrödinger 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.

quant-ph↗

arXiv2022

Classical, quantum and event-by-event simulation of a Stern-Gerlach experiment with neutrons

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.

quant-ph↗