arXiv subjects

Oriel Kiss

Publications and source records attributed to Oriel Kiss.

18 recordsLinked to original sources

arXiv2026

When is randomization advantageous in quantum simulation?

We study the regimes in which Hamiltonian simulation benefits from randomization. We introduce a sparse-QSVT construction based on composite stochastic decompositions, where dominant terms are treated deterministically and smaller contributions are sampled stochastically. Crucially, we analyze how stochastic and approximation errors propagate through block-encoding and QSVT procedures. To benchmark this approach, we construct ensembles of random Hamiltonians with controlled coefficient dispersion, locality, and number of terms, designed to favor randomization, and therefore providing an upper bound on its practical advantage. For Hamiltonians with many terms and highly inhomogeneous coefficient distributions, randomized methods reduce gate counts by up to an order of magnitude. However, this advantage is confined to moderate-precision regimes: as the target error decreases, deterministic methods become more efficient, with a crossover near $\varepsilon \sim 10^{-3}$. Although this regime partially overlaps with quantum chemistry Hamiltonians, realistic systems exhibit additional structure, such as commutation patterns, not captured by our model, which are expected to further favor deterministic approaches.

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arXiv2025

Neutrino thermalization via randomization on a quantum processor

The dynamical evolution of neutrino flavor in supernovae can be modeled by an all-to-all spin Hamiltonian with random couplings. Simulating such two-local Hamiltonian dynamics remains a major challenge, as methods with controllable accuracy require circuit depths that increase at least linearly with system size, exceeding the capabilities of current quantum devices. The eigenstate thermalization hypothesis predicts that these systems should thermalize, a behavior confirmed in small-scale classical simulations. In this work, we investigate flavor thermalization in much larger systems using random quantum circuits as an empirical tool to emulate the non-local dynamics, and demonstrate that the thermal behavior can be reproduced using a depth independent of the system size. By simulating dynamics of over one hundred qubits, we find that the thermalization time grows approximately as the square root of the system size, consistent with predictions from semi-classical methods. Beyond this specific result, our study illustrates that near-term quantum devices are useful tools to test and validate empirical classical methods. It also highlights a new application of random circuits in physics, providing insight into complex many-body dynamics that are classically intractable.

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arXiv2025

Toward scalable quantum computations of atomic nuclei

We solve the nuclear two-body and three-body bound states via quantum simulations of pionless effective field theory on a lattice in position space. While the employed lattice remains small, the usage of local Hamiltonians including two- and three-body forces ensures that the number of Pauli terms scales linearly with increasing numbers of lattice sites. We use an adaptive ansatz grown from unitary coupled cluster theory to parametrize the ground states of the deuteron and $^3$He, compute their corresponding energies, and analyze the scaling of the required computational resources. Our quantum simulations reproduce exact benchmarks for $^2$H and $^3$He within 100 keV, requiring at most 30 layers in the ansatz and thus resulting in modest circuit depths. Additionally, we find the number of shots required to reach a given precision scales linearly in the lattice size and more mildly in the system size. Based on the agreement with exact benchmarks and mild scaling, we conclude that this can be an efficient, scalable approach for quantum computations of nuclear ground states, particularly to prepare initial states for quantum phase estimation or other filtering algorithms.

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arXiv2024

Statistics of topological defects across a phase transition in a digital superconducting quantum processor

When a quantum phase transition is crossed within a finite time, critical slowing down disrupts adiabatic dynamics, resulting in the formation of topological defects. The average density of these defects scales with the quench rate, adhering to a universal power law as predicted by the Kibble-Zurek mechanism (KZM). In this study, we aim to investigate the counting statistics of kink density in the 1D transverse-field quantum Ising model. We demonstrate on multiple quantum processing units up to 100 qubits, that higher-order cumulants follow a universal power law scaling as a function of the quench time. We also show the breakdown of the KZM for short quenches for finite-size systems. Tensor network simulations corroborate our quantum simulation results for bigger systems not in the asymptotic limit.

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arXiv2024

Double-bracket quantum algorithms for high-fidelity ground state preparation

Ground state preparation is a central application for quantum computers but remains challenging in practice. In this work, we quantitatively investigate the performance and gate counts of double-bracket quantum algorithms (DBQAs) for ground state preparation. We propose a practical strategy in which DBQAs refine initial state preparation circuits, and we compile them for Heisenberg chains using controlled-Z and single-qubit gates. Warm-started DBQAs consistently improve both the energy and ground-state fidelity relative to the initial states provided by variational ans\"atze, indicating that DBQAs offer an effective unitary synthesis method. To demonstrate compatibility with near-term hardware, we executed a proof-of-concept example on IBM devices. With error mitigation, we observed a statistically significant improvement over the corresponding warm-start circuit. Furthermore, numerical emulations for the same system size indicate that executing DBQAs on Quantinuum's hardware could achieve similar cost-function gains without requiring error mitigation. These findings suggest that DBQAs are a promising approach for enhancing ground-state approximations on near-term quantum devices.

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arXiv2024

Early Fault-Tolerant Quantum Algorithms in Practice: Application to Ground-State Energy Estimation

We investigate the feasibility of early fault-tolerant quantum algorithms focusing on ground-state energy estimation problems. In particular, we examine the computation of the cumulative distribution function (CDF) of the spectral measure of a Hamiltonian and the identification of its discontinuities. Scaling these methods to larger system sizes reveals three key challenges: the smoothness of the CDF for large supports, the lack of tight lower bounds on the overlap with the true ground state, and the difficulty of preparing high-quality initial states. To address these challenges, we propose a signal processing approach to find these estimates automatically, in the regime where the quality of the initial state is unknown. Rather than aiming for exact ground-state energy, we advocate for improving classical estimates by targeting the low-energy support of the initial state. Additionally, we provide quantitative resource estimates, demonstrating a constant-factor improvement in the number of samples required to detect a specified change in CDF. Our numerical experiments, conducted on a 26-qubit fully connected Heisenberg model, leverage a truncated density-matrix renormalization group (DMRG) initial state with a low bond dimension. The results show that the predictions from the quantum algorithm align closely with the DMRG-converged energies at larger bond dimensions while requiring several orders of magnitude fewer samples than theoretical estimates suggest. These findings underscore that CDF-based quantum algorithms are a practical and resource-efficient alternative to quantum phase estimation, particularly in resource-constrained scenarios.

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arXiv2024

Quantum error mitigation for Fourier moment computation

Hamiltonian moments in Fourier space - expectation values of the unitary evolution operator under a Hamiltonian at different times - provide a convenient framework to understand quantum systems. They offer insights into the energy distribution, higher-order dynamics, response functions, correlation information and physical properties. This paper focuses on the computation of Fourier moments within the context of a nuclear effective field theory on superconducting quantum hardware. The study integrates echo verification and noise renormalization into Hadamard tests using control reversal gates. These techniques, combined with purification and error suppression methods, effectively address quantum hardware decoherence. The analysis, conducted using noise models, reveals a significant reduction in noise strength by two orders of magnitude. Moreover, quantum circuits involving up to 266 CNOT gates over five qubits demonstrate high accuracy under these methodologies when run on IBM superconducting quantum devices.

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arXiv2023

Symmetry-invariant quantum machine learning force fields

Machine learning techniques are essential tools to compute efficient, yet accurate, force fields for atomistic simulations. This approach has recently been extended to incorporate quantum computational methods, making use of variational quantum learning models to predict potential energy surfaces and atomic forces from ab initio training data. However, the trainability and scalability of such models are still limited, due to both theoretical and practical barriers. Inspired by recent developments in geometric classical and quantum machine learning, here we design quantum neural networks that explicitly incorporate, as a data-inspired prior, an extensive set of physically relevant symmetries. We find that our invariant quantum learning models outperform their more generic counterparts on individual molecules of growing complexity. Furthermore, we study a water dimer as a minimal example of a system with multiple components, showcasing the versatility of our proposed approach and opening the way towards larger simulations. Our results suggest that molecular force fields generation can significantly profit from leveraging the framework of geometric quantum machine learning, and that chemical systems represent, in fact, an interesting and rich playground for the development and application of advanced quantum machine learning tools.

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arXiv2023

Counterdiabatic optimized driving in quantum phase sensitive models

State preparation plays a pivotal role in numerous quantum algorithms, including quantum phase estimation. This paper extends and benchmarks counterdiabatic driving protocols across three one-dimensional spin systems characterized by phase transitions: the axial next-nearest neighbor Ising (ANNNI), XXZ, and Haldane-Shastry (HS) models. We perform quantum optimal control protocols by optimizing the energy cost function, which can always be evaluated as opposed to the fidelity one requiring the exact state. Moreover, we incorporate Bayesian optimization within a code package for computing various adiabatic gauge potentials. This protocol consistently surpasses standard annealing schedules, often achieving performance improvements of several orders of magnitude. Notably, the ANNNI model stands out as a notable example, where fidelities exceeding 0.5 are attainable in most cases. Furthermore, the optimized paths exhibits promising generalization capabilities to higher-dimensional systems, allowing for the extension of parameters from smaller models. This opens up possibilities for applying the protocol to higher-dimensional systems. However, our investigations reveal limitations in the case of the XXZ and HS models, particularly when transitioning away from the ferromagnetic phase. This suggests that finding optimal diabatic gauge potentials for specific systems remains an important research direction.

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arXiv2023

Hybrid Ground-State Quantum Algorithms based on Neural Schr\"odinger Forging

Entanglement forging based variational algorithms leverage the bi-partition of quantum systems for addressing ground state problems. The primary limitation of these approaches lies in the exponential summation required over the numerous potential basis states, or bitstrings, when performing the Schmidt decomposition of the whole system. To overcome this challenge, we propose a new method for entanglement forging employing generative neural networks to identify the most pertinent bitstrings, eliminating the need for the exponential sum. Through empirical demonstrations on systems of increasing complexity, we show that the proposed algorithm achieves comparable or superior performance compared to the existing standard implementation of entanglement forging. Moreover, by controlling the amount of required resources, this scheme can be applied to larger, as well as non permutation invariant systems, where the latter constraint is associated with the Heisenberg forging procedure. We substantiate our findings through numerical simulations conducted on spins models exhibiting one-dimensional ring, two-dimensional triangular lattice topologies, and nuclear shell model configurations.

quant-ph↗

arXiv2023

Trainability barriers and opportunities in quantum generative modeling

Quantum generative models provide inherently efficient sampling strategies and thus show promise for achieving an advantage using quantum hardware. In this work, we investigate the barriers to the trainability of quantum generative models posed by barren plateaus and exponential loss concentration. We explore the interplay between explicit and implicit models and losses, and show that using quantum generative models with explicit losses such as the KL divergence leads to a new flavour of barren plateaus. In contrast, the implicit Maximum Mean Discrepancy loss can be viewed as the expectation value of an observable that is either low-bodied and provably trainable, or global and untrainable depending on the choice of kernel. In parallel, we find that solely low-bodied implicit losses cannot in general distinguish high-order correlations in the target data, while some quantum loss estimation strategies can. We validate our findings by comparing different loss functions for modelling data from High-Energy-Physics.

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arXiv2023

Importance sampling for stochastic quantum simulations

Simulating many-body quantum systems is a promising task for quantum computers. However, the depth of most algorithms, such as product formulas, scales with the number of terms in the Hamiltonian, and can therefore be challenging to implement on near-term, as well as early fault-tolerant quantum devices. An efficient solution is given by the stochastic compilation protocol known as qDrift, which builds random product formulas by sampling from the Hamiltonian according to the coefficients. In this work, we unify the qDrift protocol with importance sampling, allowing us to sample from arbitrary probability distributions, while controlling both the bias, as well as the statistical fluctuations. We show that the simulation cost can be reduced while achieving the same accuracy, by considering the individual simulation cost during the sampling stage. Moreover, we incorporate recent work on composite channel and compute rigorous bounds on the bias and variance, showing how to choose the number of samples, experiments, and time steps for a given target accuracy. These results lead to a more efficient implementation of the qDrift protocol, both with and without the use of composite channels. Theoretical results are confirmed by numerical simulations performed on a lattice nuclear effective field theory.

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arXiv2023

Quantum phase detection generalisation from marginal quantum neural network models

Quantum machine learning offers a promising advantage in extracting information about quantum states, e.g. phase diagram. However, access to training labels is a major bottleneck for any supervised approach, preventing getting insights about new physics. In this Letter, using quantum convolutional neural networks, we overcome this limit by determining the phase diagram of a model where analytical solutions are lacking, by training only on marginal points of the phase diagram, where integrable models are represented. More specifically, we consider the axial next-nearest-neighbor Ising (ANNNI) Hamiltonian, which possesses a ferromagnetic, paramagnetic and antiphase, showing that the whole phase diagram can be reproduced.

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arXiv2023

Finite-size criticality in fully connected spin models on superconducting quantum hardware

The emergence of a collective behavior in a many-body system is responsible of the quantum criticality separating different phases of matter. Interacting spin systems in a magnetic field offer a tantalizing opportunity to test different approaches to study quantum phase transitions. In this work, we exploit the new resources offered by quantum algorithms to detect the quantum critical behaviour of fully connected spin$-1/2$ models. We define a suitable Hamiltonian depending on an internal anisotropy parameter $γ,$ that allows us to examine three paradigmatic examples of spin models, whose lattice is a fully connected graph. We propose a method based on variational algorithms run on superconducting transmon qubits to detect the critical behavior for systems of finite size. We evaluate the energy gap between the first excited state and the ground state, the magnetization along the easy-axis of the system, and the spin-spin correlations. We finally report a discussion about the feasibility of scaling such approach on a real quantum device for a system having a dimension such that classical simulations start requiring significant resources.

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arXiv2022

Quantum computing of the $^6$Li nucleus via ordered unitary coupled clusters

The variational quantum eigensolver (VQE) is an algorithm to compute ground and excited state energy of quantum many-body systems. A key component of the algorithm and an active research area is the construction of a parametrized trial wavefunction -- a so called variational ansatz. The wavefunction parametrization should be expressive enough, i.e. represent the true eigenstate of a quantum system for some choice of parameter values. On the other hand, it should be trainable, i.e. the number of parameters should not grow exponentially with the size of the system. Here, we apply VQE to the problem of finding ground and excited state energies of the odd-odd nucleus $^6$Li. We study the effects of ordering fermionic excitation operators in the unitary coupled clusters ansatz on the VQE algorithm convergence by using only operators preserving the $J_z$ quantum number. The accuracy is improved by two order of magnitude in the case of descending order. We first compute optimal ansatz parameter values using a classical state-vector simulator with arbitrary measurement accuracy and then use those values to evaluate energy eigenstates of $^6$Li on a superconducting quantum chip from IBM. We post-process the results by using error mitigation techniques and are able to reproduce the exact energy with an error of 3.8% and 0.1% for the ground state and for the first excited state of $^6$Li, respectively.

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arXiv2022

Conditional Born machine for Monte Carlo event generation

Generative modeling is a promising task for near-term quantum devices, which can use the stochastic nature of quantum measurements as a random source. So called Born machines are purely quantum models and promise to generate probability distributions in a quantum way, inaccessible to classical computers. This paper presents an application of Born machines to Monte Carlo simulations and extends their reach to multivariate and conditional distributions. Models are run on (noisy) simulators and IBM Quantum superconducting quantum hardware. More specifically, Born machines are used to generate muonic force carrier (MFC) events resulting from scattering processes between muons and the detector material in high-energy physics colliders experiments. MFCs are bosons appearing in beyond-the-standard-model theoretical frameworks, which are candidates for dark matter. Empirical evidence suggests that Born machines can reproduce the marginal distributions and correlations of data sets from Monte Carlo simulations.

quant-ph↗

arXiv2022

Quantum neural networks force fields generation

Accurate molecular force fields are of paramount importance for the efficient implementation of molecular dynamics techniques at large scales. In the last decade, machine learning methods have demonstrated impressive performances in predicting accurate values for energy and forces when trained on finite size ensembles generated with ab initio techniques. At the same time, quantum computers have recently started to offer new viable computational paradigms to tackle such problems. On the one hand, quantum algorithms may notably be used to extend the reach of electronic structure calculations. On the other hand, quantum machine learning is also emerging as an alternative and promising path to quantum advantage. Here we follow this second route and establish a direct connection between classical and quantum solutions for learning neural network potentials. To this end, we design a quantum neural network architecture and apply it successfully to different molecules of growing complexity. The quantum models exhibit larger effective dimension with respect to classical counterparts and can reach competitive performances, thus pointing towards potential quantum advantages in natural science applications via quantum machine learning.

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arXiv2019

Bayesian Optimization for machine learning algorithms in the context of Higgs searches at the CMS experiment

Machine Learning algorithms, such as Boosted Decisions Trees and Deep Neural Network, are widely used in High-Energy-Physics. The aim of this study is to apply Bayesian Optimization to tune the hyperparameters used in a machine learning algorithm. This algorithm performs an energy regression process on photons and electrons detected in the electromagnetic calorimeter at the Compact Muon Solenoid experiment operating at the Large Hadron Collider at CERN. The goal of this algorithm is to estimate the energy of photons and electrons created during the collisions in the Compact Muon Solenoid, from the measured energy.

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