arXiv subjects

Michele Grossi

Publications and source records attributed to Michele Grossi.

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.

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arXiv2024

A Study on Quantum Graph Neural Networks Applied to Molecular Physics

This paper introduces a novel architecture for Quantum Graph Neural Networks, which is significantly different from previous approaches found in the literature. The proposed approach produces similar outcomes with respect to previous models but with fewer parameters, resulting in an extremely interpretable architecture rooted in the underlying physics of the problem. The architectural novelties arise from three pivotal aspects. Firstly, we employ an embedding updating method that is analogous to classical Graph Neural Networks, therefore bridging the classical-quantum gap. Secondly, each layer is devoted to capturing interactions of distinct orders, aligning with the physical properties of the system. Lastly, we harness SWAP gates to emulate the problem's inherent symmetry, a novel strategy not found currently in the literature. The obtained results in the considered experiments are encouraging to lay the foundation for continued research in this field.

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arXiv2024

Latent Style-based Quantum GAN for high-quality Image Generation

Quantum generative modeling is among the promising candidates for achieving a practical advantage in data analysis. Nevertheless, one key challenge is to generate large-size images comparable to those generated by their classical counterparts. In this work, we take an initial step in this direction and introduce the Latent Style-based Quantum GAN (LaSt-QGAN), which employs a hybrid classical-quantum approach in training Generative Adversarial Networks (GANs) for arbitrary complex data generation. This novel approach relies on powerful classical auto-encoders to map a high-dimensional original image dataset into a latent representation. The hybrid classical-quantum GAN operates in this latent space to generate an arbitrary number of fake features, which are then passed back to the auto-encoder to reconstruct the original data. Our LaSt-QGAN can be successfully trained on realistic computer vision datasets beyond the standard MNIST, namely Fashion MNIST (fashion products) and SAT4 (Earth Observation images) with 10 qubits, resulting in a comparable performance (and even better in some metrics) with the classical GANs. Moreover, we analyze the barren plateau phenomena within this context of the continuous quantum generative model using a polynomial depth circuit and propose a method to mitigate the detrimental effect during the training of deep-depth networks. Through empirical experiments and theoretical analysis, we demonstrate the potential of LaSt-QGAN for the practical usage in the context of image generation and open the possibility of applying it to a larger dataset in the future.

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arXiv2024

Parameterized quantum circuits as universal generative models for continuous multivariate distributions

Parameterized quantum circuits have been extensively used as the basis for machine learning models in regression, classification, and generative tasks. For supervised learning, their expressivity has been thoroughly investigated and several universality properties have been proven. However, in the case of quantum generative modelling, much less is known, especially when the task is to model distributions over continuous variables. In this work, we elucidate expectation value sampling-based models. Such models output the expectation values of a set of fixed observables from a quantum circuit into which classical random data has been uploaded. We prove the universality of such variational quantum algorithms for the generation of multivariate distributions. We explore various architectures which allow universality and prove tight bounds connecting the minimal required qubit number, and the minimal required number of measurements needed. Our results may help guide the design of future quantum circuits in generative modelling tasks.

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arXiv2024

A Full Quantum Generative Adversarial Network Model for High Energy Physics Simulations

The prospect of quantum computing with a potential exponential speed-up compared to classical computing identifies it as a promising method in the search for alternative future High Energy Physics (HEP) simulation approaches. HEP simulations, such as employed at the Large Hadron Collider at CERN, are extraordinarily complex and require an immense amount of computing resources in hardware and time. For some HEP simulations, classical machine learning models have already been successfully developed and tested, resulting in several orders of magnitude speed-up. In this research, we proceed to the next step and explore whether quantum computing can provide sufficient accuracy, and further improvements, suggesting it as an exciting direction of future investigations. With a small prototype model, we demonstrate a full quantum Generative Adversarial Network (GAN) model for generating downsized eight-pixel calorimeter shower images. The advantage over previous quantum models is that the model generates real individual images containing pixel energy values instead of simple probability distributions averaged over a test sample. To complete the picture, the results of the full quantum GAN model are compared to hybrid quantum-classical models using a classical discriminator neural network.

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arXiv2024

Hybrid Ground-State Quantum Algorithms based on Neural Schrödinger 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.

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arXiv2024

Assessment of few-hits machine learning classification algorithms for low energy physics in liquid argon detectors

The physics potential of massive liquid argon TPCs in the low-energy regime is still to be fully reaped because few-hits events encode information that can hardly be exploited by conventional classification algorithms. Machine learning (ML) techniques give their best in these types of classification problems. In this paper, we evaluate their performance against conventional (deterministic) algorithms. We demonstrate that both Convolutional Neural Networks (CNN) and Transformer-Encoder methods outperform deterministic algorithms in one of the most challenging classification problems of low-energy physics (single- versus double-beta events). We discuss the advantages and pitfalls of Transformer-Encoder methods versus CNN and employ these methods to optimize the detector parameters, with an emphasis on the DUNE Phase II detectors ("Module of Opportunity").

physics.ins-det↗

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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arXiv2024

Symmetry breaking in geometric quantum machine learning in the presence of noise

Geometric quantum machine learning based on equivariant quantum neural networks (EQNN) recently appeared as a promising direction in quantum machine learning. Despite the encouraging progress, the studies are still limited to theory, and the role of hardware noise in EQNN training has never been explored. This work studies the behavior of EQNN models in the presence of noise. We show that certain EQNN models can preserve equivariance under Pauli channels, while this is not possible under the amplitude damping channel. We claim that the symmetry breaking grows linearly in the number of layers and noise strength. We support our claims with numerical data from simulations as well as hardware up to 64 qubits. Furthermore, we provide strategies to enhance the symmetry protection of EQNN models in the presence of noise.

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arXiv2024

Few-body precursors of topological frustration

Quantum spin chains - the prototypical model for coupled two-level systems - offer a fertile playground both for fundamental and technological applications, ranging from the theory of thermalization to quantum computation. The effects of frustration induced by the boundary conditions have recently been addressed in this context. In this work, we analyze the effects of such frustration on a few spin system and we comment the strong even-odd effects induced in the ground state energy. The purpose of this work is to show that such signatures are visible on current quantum computer platforms.

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arXiv2023

Quantum Generative Adversarial Networks For Anomaly Detection In High Energy Physics

The standard model (SM) of particle physics represents a theoretical paradigm for the description of the fundamental forces of nature. Despite its broad applicability, the SM does not enable the description of all physically possible events. The detection of events that cannot be described by the SM, which are typically referred to as anomalous, and the related potential discovery of exotic physical phenomena is a non-trivial task. The challenge becomes even greater with next-generation colliders that will produce even more events with additional levels of complexity. The additional data complexity motivates the search for unsupervised anomaly detection methods that do not require prior knowledge about the underlying models. In this work, we develop such a technique. More explicitly, we employ a quantum generative adversarial network to identify anomalous events. The method learns the background distribution from SM data and, then, determines whether a given event is characteristic for the learned background distribution. The proposed quantum-powered anomaly detection strategy is tested on proof-of-principle examples using numerical simulations and IBM Quantum processors. We find that the quantum generative techniques using ten times fewer training data samples can yield comparable accuracy to the classical counterpart for the detection of the Graviton and Higgs particles. Additionally, we empirically compute the capacity of the quantum model and observe an improved expressivity compared to its classical counterpart.

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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

Quantum Advantage Seeker with Kernels (QuASK): a software framework to speed up the research in quantum machine learning

Exploiting the properties of quantum information to the benefit of machine learning models is perhaps the most active field of research in quantum computation. This interest has supported the development of a multitude of software frameworks (e.g. Qiskit, Pennylane, Braket) to implement, simulate, and execute quantum algorithms. Most of them allow us to define quantum circuits, run basic quantum algorithms, and access low-level primitives depending on the hardware such software is supposed to run. For most experiments, these frameworks have to be manually integrated within a larger machine learning software pipeline. The researcher is in charge of knowing different software packages, integrating them through the development of long code scripts, analyzing the results, and generating the plots. Long code often leads to erroneous applications, due to the average number of bugs growing proportional with respect to the program length. Moreover, other researchers will struggle to understand and reproduce the experiment, due to the need to be familiar with all the different software frameworks involved in the code script. We propose QuASK, an open-source quantum machine learning framework written in Python that aids the researcher in performing their experiments, with particular attention to quantum kernel techniques. QuASK can be used as a command-line tool to download datasets, pre-process them, quantum machine learning routines, analyze and visualize the results. QuASK implements most state-of-the-art algorithms to analyze the data through quantum kernels, with the possibility to use projected kernels, (gradient-descent) trainable quantum kernels, and structure-optimized quantum kernels. Our framework can also be used as a library and integrated into pre-existing software, maximizing code reuse.

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arXiv2023

Resource Saving via Ensemble Techniques for Quantum Neural Networks

Quantum neural networks hold significant promise for numerous applications, particularly as they can be executed on the current generation of quantum hardware. However, due to limited qubits or hardware noise, conducting large-scale experiments often requires significant resources. Moreover, the output of the model is susceptible to corruption by quantum hardware noise. To address this issue, we propose the use of ensemble techniques, which involve constructing a single machine learning model based on multiple instances of quantum neural networks. In particular, we implement bagging and AdaBoost techniques, with different data loading configurations, and evaluate their performance on both synthetic and real-world classification and regression tasks. To assess the potential performance improvement under different environments, we conduct experiments on both simulated, noiseless software and IBM superconducting-based QPUs, suggesting these techniques can mitigate the quantum hardware noise. Additionally, we quantify the amount of resources saved using these ensemble techniques. Our findings indicate that these methods enable the construction of large, powerful models even on relatively small quantum devices.

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arXiv2023

Precise Image Generation on Current Noisy Quantum Computing Devices

The Quantum Angle Generator (QAG) is a new full Quantum Machine Learning model designed to generate accurate images on current Noise Intermediate Scale (NISQ) Quantum devices. Variational quantum circuits form the core of the QAG model, and various circuit architectures are evaluated. In combination with the so-called MERA-upsampling architecture, the QAG model achieves excellent results, which are analyzed and evaluated in detail. To our knowledge, this is the first time that a quantum model has achieved such accurate results. To explore the robustness of the model to noise, an extensive quantum noise study is performed. In this paper, it is demonstrated that the model trained on a physical quantum device learns the noise characteristics of the hardware and generates outstanding results. It is verified that even a quantum hardware machine calibration change during training of up to 8% can be well tolerated. For demonstration, the model is employed in indispensable simulations in high energy physics required to measure particle energies and, ultimately, to discover unknown particles at the Large Hadron Collider at CERN.

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arXiv2023

Approximately Equivariant Quantum Neural Network for $p4m$ Group Symmetries in Images

Quantum Neural Networks (QNNs) are suggested as one of the quantum algorithms which can be efficiently simulated with a low depth on near-term quantum hardware in the presence of noises. However, their performance highly relies on choosing the most suitable architecture of Variational Quantum Algorithms (VQAs), and the problem-agnostic models often suffer issues regarding trainability and generalization power. As a solution, the most recent works explore Geometric Quantum Machine Learning (GQML) using QNNs equivariant with respect to the underlying symmetry of the dataset. GQML adds an inductive bias to the model by incorporating the prior knowledge on the given dataset and leads to enhancing the optimization performance while constraining the search space. This work proposes equivariant Quantum Convolutional Neural Networks (EquivQCNNs) for image classification under planar $p4m$ symmetry, including reflectional and $90^\circ$ rotational symmetry. We present the results tested in different use cases, such as phase detection of the 2D Ising model and classification of the extended MNIST dataset, and compare them with those obtained with the non-equivariant model, proving that the equivariance fosters better generalization of the model.

quant-ph↗

arXiv2023

A novel approach to noisy gates for simulating quantum computers

We present a novel method for simulating the noisy behaviour of quantum computers, which allows to efficiently incorporate environmental effects in the driven evolution implementing the gates acting on the qubits. We show how to modify the noiseless gate executed by the computer to include any Markovian noise, hence resulting in what we will call a noisy gate. We compare our method with the IBM Qiskit simulator, and show that it follows more closely both the analytical solution of the Lindblad equation as well as the behaviour of a real quantum computer, where we ran algorithms involving up to 18 qubits; as such, our protocol offers a more accurate simulator for NISQ devices. The method is flexible enough to potentially describe any noise, including non-Markovian ones. The noise simulator based on this work is available as a python package at this link: https://pypi.org/project/quantum-gates.

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arXiv2023

Quantum Fourier Iterative Amplitude Estimation

Monte Carlo integration is a widely used numerical method for approximating integrals, which is often computationally expensive. In recent years, quantum computing has shown promise for speeding up Monte Carlo integration, and several quantum algorithms have been proposed to achieve this goal. In this paper, we present an application of Quantum Machine Learning (QML) and Grover's amplification algorithm to build a new tool for estimating Monte Carlo integrals. Our method, which we call Quantum Fourier Iterative Amplitude Estimation (QFIAE), decomposes the target function into its Fourier series using a Parametrized Quantum Circuit (PQC), specifically a Quantum Neural Network (QNN), and then integrates each trigonometric component using Iterative Quantum Amplitude Estimation (IQAE). This approach builds on Fourier Quantum Monte Carlo Integration (FQMCI) method, which also decomposes the target function into its Fourier series, but QFIAE avoids the need for numerical integration of Fourier coefficients. This approach reduces the computational load while maintaining the quadratic speedup achieved by IQAE. To evaluate the performance of QFIAE, we apply it to a test function that corresponds with a particle physics scattering process and compare its accuracy with other quantum integration methods and the analytic result. Our results show that QFIAE achieves comparable accuracy while being suitable for execution on real hardware. We also demonstrate how the accuracy of QFIAE improves by increasing the number of terms in the Fourier series. In conclusion, QFIAE is a promising end-to-end quantum algorithm for Monte Carlo integrals that combines the power of PQC with Fourier analysis and IQAE to offer a new approach for efficiently approximating integrals with high accuracy.

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