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Sabrina Maniscalco

Publications and source records attributed to Sabrina Maniscalco.

At least 19 recordsLinked to original sources

Observable Estimation in the Absence of Classical Verification

The predictive success of quantum mechanics underpins many areas of modern science, even as the exact simulation of large, interacting quantum systems remains beyond the reach of classical computation. This success has been enabled by the remarkable advancement of scalable numerical approximation methods, which often demonstrate practical accuracy despite the absence of formal guarantees. As quantum simulation pushes into regimes where these approximations struggle, a fundamental challenge arises: How can quantum outcomes be trusted when reliable classical benchmarks are unavailable? Here, we establish a framework for the independent validation of quantum estimates in this setting and present evidence that they provide the most credible result among several considered methods, in the absence of an immediately accessible ground-truth solution. We apply our framework to the semi-scrambling dynamics of a physical model that strains several leading classical simulation methods yet remains experimentally accessible, in part through our introduction of the \textit{operator Loschmidt echo}. We systematically design a series of experiments using quantum heuristics that, taken together, test the underlying assumptions and provide strong confidence in the observable estimates obtained from the quantum computer. We then show how this framework can be extended to place accuracy bounds on quantum estimates via careful characterization and manipulation of the device noise, transforming the problem of validating the observable estimation to validating the noise model. These results establish a route towards trusted quantum computation for scientific discovery, independent of classical verification.

quant-ph

Experimental implementation of a discrete-time quantum walk on biological networks

Quantum walks provide a versatile framework for probing the structural and dynamical properties of complex systems ranging from biological networks to synthetic materials. However, their realization on current noisy pre-fault-tolerant quantum computers is fundamentally limited by decoherence. Conventional dense encodings of graph structures require prohibitively deep circuits, making them incompatible with existing hardware. Here we introduce an algorithm that leverages symmetry-sector encoding and trades circuit depth for the number of qubits, while integrating symmetry-respecting postselection as an effective noise-mitigation strategy. This combination enables us to execute practical quantum-walk circuits for biological network motifs on actual quantum hardware. We benchmark the proposed methodology against known state-of-the-art circuit architectures, highlighting significant reduction of circuit depth in our approach at the cost of moderate qubit overhead. Utilizing 40 qubits, we implement quantum walks on complex graphs containing up to 17 nodes and 20 edges -- the largest experiment on superconducting hardware to date, with the Hellinger fidelity exceeding 87% throughout 7 steps. We present a proof-of-principle case study that illustrates how experimentally obtained quantum-walk dynamics on a protein-protein-interaction network can be applied to prioritizing disease-associated genes. We discuss the framework scalability in the pre-fault-tolerant era and its potential for studying larger biological networks.

quant-ph

Quantum computing and artificial intelligence: status and perspectives

This white paper discusses and explores the various points of intersection between quantum computing and artificial intelligence (AI). It describes how quantum computing could support the development of innovative AI solutions. It also examines use cases of classical AI that can empower research and development in quantum technologies, with a focus on quantum computing and quantum sensing. The purpose of this white paper is to provide a long-term research agenda aimed at addressing foundational questions about how AI and quantum computing interact and benefit one another. It concludes with a set of recommendations and challenges, including how to orchestrate the proposed theoretical work, align quantum AI developments with quantum hardware roadmaps, estimate both classical and quantum resources - especially with the goal of mitigating and optimizing energy consumption - advance this emerging hybrid software engineering discipline, and enhance European industrial competitiveness while considering societal implications.

quant-ph

Myths around quantum computation before full fault tolerance: What no-go theorems rule out and what they don't

In this perspective article, we revisit and critically evaluate prevailing viewpoints on the capabilities and limitations of near-term quantum computing and its potential transition toward fully fault-tolerant quantum computing. We examine theoretical no-go results and their implications, addressing misconceptions about the practicality of quantum error mitigation techniques and variational quantum algorithms. By emphasizing the nuances of error scaling, circuit depth, and algorithmic feasibility, we highlight viable near-term applications and synergies between error mitigation and early fault-tolerant architectures. Our discussion explores strategies for addressing current challenges, such as barren plateaus in variational circuits and the integration of quantum error mitigation and quantum error correction techniques. We aim to underscore the importance of continued innovation in hardware and algorithmic design to bridge the gap between theoretical potential and practical utility, paving the way for meaningful quantum advantage in the era of late noisy intermediate scale and early fault-tolerant quantum devices.

quant-ph

Dynamical simulations of many-body quantum chaos on a quantum computer

Quantum circuits with local unitaries have emerged as a rich playground for the exploration of many-body quantum dynamics of discrete-time systems. While the intrinsic locality makes them particularly suited to run on current quantum processors, the task of verification at non-trivial scales is complicated for non-integrable systems. Here, we study a special class of maximally chaotic circuits known as dual unitary circuits -- exhibiting unitarity in both space and time -- that are known to have exact analytical solutions for certain correlation functions. With advances in noise learning and the implementation of novel error mitigation methods, we show that a superconducting quantum processor with 91 qubits is able to accurately simulate these correlators. We then probe dynamics beyond exact verification, by perturbing the circuits away from the dual unitary point, and compare our results to classical approximations with tensor networks. These results cement error-mitigated digital quantum simulation on pre-fault-tolerant quantum processors as a trustworthy platform for the exploration and discovery of novel emergent quantum many-body phases.

quant-ph

Women for Quantum -- Manifesto of Values

Data show that the presence of women in quantum science is affected by a number of detriments and their percentage decreases even further for higher positions. Beyond data, from our shared personal experiences as female tenured quantum physics professors, we believe that the current model of scientific leadership, funding, and authority fails to represent many of us. It is time for a real change that calls for a different kind of force and for the participation of everyone. Women for quantum calls for a joint effort and aims with this initiative to contribute to such a transformation.

physics.soc-ph

Scalability of quantum error mitigation techniques: from utility to advantage

Error mitigation has elevated quantum computing to the scale of hundreds of qubits and tens of layers; however, yet larger scales (deeper circuits) are needed to fully exploit the potential of quantum computing to solve practical problems otherwise intractable. Here we demonstrate three key results that pave the way for the leap from quantum utility to quantum advantage: (1) we present a thorough derivation of random and systematic errors associated to the most advanced error mitigation strategies, including probabilistic error cancellation (PEC), zero noise extrapolation (ZNE) with probabilistic error amplification, and tensor-network error mitigation (TEM); (2) we prove that TEM (i) has the lowest sampling overhead among all three techniques under realistic noise, (ii) is optimal, in the sense that it saturates the universal lower cost bound for error mitigation, and (iii) is therefore the most promising approach to quantum advantage; (3) we propose a concrete notion of practical quantum advantage in terms of the universality of algorithms, stemming from the commercial need for a problem-independent quantum simulation device. We also establish a connection between error mitigation, relying on additional measurements, and error correction, relying on additional qubits, by demonstrating that TEM with a sufficient bond dimension works similarly to an error correcting code of distance 3. We foresee that the interplay and trade-off between the two resources will be the key to a smooth transition between error mitigation and error correction, and hence between near-term and fault-tolerant quantum computers. Meanwhile, we argue that quantum computing with optimal error mitigation, relying on modest classical computer power for tensor network contraction, has the potential to reach larger scales in accurate simulation than classical methods alone.

quant-ph

Transfer and routing of Gaussian states through quantum complex networks with and without community structure

The goal in quantum state transfer is to avoid the need to physically transport carriers of quantum information. This is achieved by using a suitably engineered Hamiltonian that induces the transfer of the state of one subsystem to another. A less known generalization of state transfer considers multiple systems such that any pair can exchange quantum information and transfers can take place at any time, starting and stopping independently. This is sometimes called routing of quantum states. State transfer in particular has received a great deal of attention, however the vast majority of results in both state transfer and routing concern qubits transferred in a network of restricted structure. Here we consider routing of single-mode Gaussian states and entanglement through complex networks of quantum harmonic oscillators. We compare a protocol where the transfer is completed in a single step but the effective Hamiltonian only approximately transfers the state with one where the transfer can in principle be perfect but the transfer is done in two steps, and also illustrate the state-dependency of the transfer fidelity. We find that even in a random and homogeneous network, the transfer fidelity still depends on the degree of the nodes for any link density, and that in both random and complex networks it is the community structure that controls the appearance of higher frequency normal modes useful for transfer. Finally, we find that networks of sufficient complexity may have superior routing performance over superficially similar random networks. Our results pave the way for further exploration of the role of community structure in state transfer and related tasks.

quant-ph

Disease Gene Prioritization With Quantum Walks

Disease gene prioritization assigns scores to genes or proteins according to their likely relevance for a given disease based on a provided set of seed genes. Here, we describe a new algorithm for disease gene prioritization based on continuous-time quantum walks using the adjacency matrix of a protein-protein interaction (PPI) network. Our algorithm can be seen as a quantum version of a previous method known as the diffusion kernel, but, importantly, has higher performance in predicting disease genes, and also permits the encoding of seed node self-loops into the underlying Hamiltonian, which offers yet another boost in performance. We demonstrate the success of our proposed method by comparing it to several well-known gene prioritization methods on three disease sets, across seven different PPI networks. In order to compare these methods, we use cross-validation and examine the mean reciprocal ranks and recall values. We further validate our method by performing an enrichment analysis of the predicted genes for coronary artery disease. We also investigate the impact of adding self-loops to the seeds, and argue that they allow the quantum walker to remain more local to low-degree seed nodes.

quant-ph

The Bonsai algorithm: grow your own fermion-to-qubit mapping

Fermion-to-qubit mappings are used to represent fermionic modes on quantum computers, an essential first step in many quantum algorithms for electronic structure calculations. In this work, we present a formalism to design flexible fermion-to-qubit mappings from ternary trees. We discuss in an intuitive manner the connection between the generating trees' structure and certain properties of the resulting mapping, such as Pauli weight and the delocalisation of mode occupation. Moreover, we introduce a recipe that guarantees Fock basis states are mapped to computational basis states in qubit space, a desirable property for many applications in quantum computing. Based on this formalism, we introduce the Bonsai algorithm, which takes as input the potentially limited topology of the qubit connectivity of a quantum device and returns a tailored fermion-to-qubit mapping that reduces the SWAP overhead with respect to other paradigmatic mappings. We illustrate the algorithm by producing mappings for the heavy-hexagon topology widely used in IBM quantum computers. The resulting mappings have a favourable Pauli weight scaling $\mathcal{O}(\sqrt{N})$ on this connectivity, while ensuring that no SWAP gates are necessary for single excitation operations.

quant-ph

Towards quantum-enabled cell-centric therapeutics

In recent years, there has been tremendous progress in the development of quantum computing hardware, algorithms and services leading to the expectation that in the near future quantum computers will be capable of performing simulations for natural science applications, operations research, and machine learning at scales mostly inaccessible to classical computers. Whereas the impact of quantum computing has already started to be recognized in fields such as cryptanalysis, natural science simulations, and optimization among others, very little is known about the full potential of quantum computing simulations and machine learning in the realm of healthcare and life science (HCLS). Herein, we discuss the transformational changes we expect from the use of quantum computation for HCLS research, more specifically in the field of cell-centric therapeutics. Moreover, we identify and elaborate open problems in cell engineering, tissue modeling, perturbation modeling, and bio-topology while discussing candidate quantum algorithms for research on these topics and their potential advantages over classical computational approaches.

quant-ph

Long-time relaxation of a finite spin bath linearly coupled to a qubit

We discuss the long-time relaxation of a qubit linearly coupled to a finite bath of $N$ spins (two-level systems, TLSs), with the interaction Hamiltonian in rotating wave approximation. We focus on the regime $N\gg 1$, assuming that the qubit-bath coupling is weak, that the range of spin frequencies is sufficiently broad, and that all the spins are initialized in the ground state. Despite the model being perfectly integrable, we make two interesting observations about the effective system relaxation. First, as one would expect, the qubit relaxes exponentially towards its zero-temperature state at a well characterized rate. Second, the bath spins, even when mutually coupled, do not relax towards a thermal distribution, but rather form a Lorentzian distribution peaked at the frequency of the initially excited qubit. This behavior is captured by an analytical approximation that makes use of the property $N\gg 1$ to treat the TLS frequencies as a continuum and is confirmed by our numerical simulations.

quant-ph

Variational Gibbs State Preparation on NISQ devices

The preparation of an equilibrium thermal state of a quantum many-body system on noisy intermediate-scale quantum (NISQ) devices is an important task in order to extend the range of applications of quantum computation. Faithful Gibbs state preparation would pave the way to investigate protocols such as thermalization and out-of-equilibrium thermodynamics, as well as providing useful resources for quantum algorithms, where sampling from Gibbs states constitutes a key subroutine. We propose a variational quantum algorithm (VQA) to prepare Gibbs states of a quantum many-body system. The novelty of our VQA consists in implementing a parameterized quantum circuit acting on two distinct, yet connected (via CNOT gates), quantum registers. The VQA evaluates the Helmholtz free energy, where the von Neumann entropy is obtained via post-processing of computational basis measurements on one register, while the Gibbs state is prepared on the other register, via a unitary rotation in the energy basis. Finally, we benchmark our VQA by preparing Gibbs states of the transverse field Ising and Heisenberg XXZ models and achieve remarkably high fidelities across a broad range of temperatures in statevector simulations. We also assess the performance of the VQA on IBM quantum computers, showcasing its feasibility on current NISQ devices.

quant-ph

Quantum simulation of dissipative collective effects on noisy quantum computers

Dissipative collective effects are ubiquitous in quantum physics, and their relevance ranges from the study of entanglement in biological systems to noise mitigation in quantum computers. Here, we put forward the first fully quantum simulation of dissipative collective phenomena on a real quantum computer, based on the recently introduced multipartite collision model. First, we theoretically study the accuracy of this algorithm on near-term quantum computers with noisy gates, and we derive some rigorous error bounds that depend on the timestep of the collision model and on the gate errors. These bounds can be employed to estimate the necessary resources for the efficient quantum simulation of the collective dynamics. Then, we implement the algorithm on some IBM quantum computers to simulate superradiance and subradiance between a pair of qubits. Our experimental results successfully display the emergence of collective effects in the quantum simulation. In addition, we analyze the noise properties of the gates that we employ in the algorithm by means of full process tomography, with the aim of improving our understanding of the errors in the near-term devices that are currently accessible to worldwide researchers. We obtain the values of the average gate fidelity, unitarity, incoherence and diamond error, and we establish a connection between them and the accuracy of the experimentally simulated state. Moreover, we build a noise model based on the results of the process tomography for two-qubit gates and show that its performance is comparable with the noise model provided by IBM. Finally, we observe that the scaling of the error as a function of the number of gates is favorable, but at the same time reaching the threshold of the diamond errors for quantum fault tolerant computation may still be orders of magnitude away in the devices that we employ.

quant-ph

Experimental optical simulator of reconfigurable and complex quantum environment

No quantum system can be considered totally isolated from its environment. In most cases the interaction between the system of interest and the external degrees of freedom deeply changes its dynamics, as described by open quantum system theory. Nevertheless, engineered environment can be turned into beneficial effects for some quantum information tasks. Here we demonstrate an optical simulator of a quantum system coupled to an arbitrary and reconfigurable environment built as a complex network of quantum interacting systems. We experimentally retrieve typical features of open quantum system dynamics like the spectral density and quantum non-Markovianity, by exploiting squeezing and entanglement correlation of a continuous variables optical platform. This opens the way to the experimental tests of open quantum systems in reconfigurable environments that are relevant in, among others, quantum information, quantum thermodynamics, quantum transport and quantum synchronization.

quant-ph

A self-consistent field approach for the variational quantum eigensolver: orbital optimization goes adaptive

We present a self consistent field approach (SCF) within the Adaptive Derivative-Assembled Problem-Tailored Ansatz Variational Quantum Eigensolver (ADAPT-VQE) framework for efficient quantum simulations of chemical systems on near-term quantum computers. To this end, our ADAPT-VQE-SCF approach combines the idea of generating an ansatz with a small number of parameters, resulting in shallow-depth quantum circuits with a direct minimization of an energy expression which is correct to second order with respect to changes in the molecular orbital basis. Our numerical analysis, including calculations for the transition metal complex ferrocene (Fe$\rm (C_5H_5)_2$), indicates that convergence in the self-consistent orbital optimization loop can be reached without a considerable increase in the number of two-qubit gates in the quantum circuit by comparison to a VQE optimization in the initial molecular orbital basis. Moreover, the orbital optimization can be carried out simultaneously within each iteration of the ADAPT-VQE cycle. ADAPT-VQE-SCF thus allows us to implement a routine analogous to CASSCF, a cornerstone of state-of-the-art computational chemistry, in a hardware-efficient manner on near-term quantum computers. Hence, ADAPT-VQE-SCF paves the way towards a paradigm shift for quantitative quantum-chemistry simulations on quantum computers by requiring fewer qubits and opening up for the use of large and flexible atomic orbital basis sets in contrast to earlier methods that are predominantly based on the idea of full active spaces with minimal basis sets.

quant-ph

Matrix product channel: Variationally optimized quantum tensor network to mitigate noise and reduce errors for the variational quantum eigensolver

Quantum processing units boost entanglement at the level of hardware and enable physical simulations of highly correlated electron states in molecules and intermolecular chemical bonds. The variational quantum eigensolver provides a hardware-efficient toolbox for ground state simulation; however, with limitations in precision. Even in the absence of noise, the algorithm may result into a biased energy estimation, particularly with some shallower ansatz types. Noise additionally degrades entanglement and hinders the ground state energy estimation (especially if the noise is not fully characterized). Here we develop a method to exploit the quantum-classical interface provided by informationally complete measurements to use classical software on top of the hardware entanglement booster for ansatz- and noise-related error reduction. We use the tensor network representation of a quantum channel that drives the noisy state toward the ground one. The tensor network is a completely positive map by construction, but we elaborate on making the trace preservation condition local so as to activate the sweeping variational optimization. This method brings into reach energies below the noiseless ansatz by creating additional correlations among the qubits and denoising them. Analyzing the example of the stretched water molecule with a tangible entanglement, we argue that a hybrid strategy of using the quantum hardware together with the classical software outperforms a purely classical strategy provided the classical parts have the same bond dimension. The proposed optimization algorithm extends the variety of noise mitigation methods and facilitates the more accurate study of the energy landscape for deformed molecules. The algorithm can be applied as the final postprocessing step in the quantum hardware simulation of protein-ligand complexes in the context of drug design.

quant-ph

Mitigating the measurement overhead of ADAPT-VQE with optimised informationally complete generalised measurements

ADAPT-VQE stands out as a robust algorithm for constructing compact ans\"atze for molecular simulation. It enables to significantly reduce the circuit depth with respect to other methods, such as UCCSD, while achieving higher accuracy and not suffering from so-called barren plateaus that hinder the variational optimisation of many hardware-efficient ans\"atze. In its standard implementation, however, it introduces a considerable measurement overhead in the form of gradient evaluations trough estimations of many commutator operators. In this work, we mitigate this measurement overhead by exploiting a recently introduced method for energy evaluation relying on Adaptive Informationally complete generalised Measurements (AIM). Besides offering an efficient way to measure the energy itself, Informationally Complete (IC) measurement data can be reused to estimate all the commutators of the operators in the operator pool of ADAPT-VQE, using only classically efficient post-processing. We present the AIM-ADAPT-VQE scheme in detail, and investigate its performance with several H4 Hamiltonians and operator pools. Our numerical simulations indicate that the measurement data obtained to evaluate the energy can be reused to implement ADAPT-VQE with no additional measurement overhead for the systems considered here. In addition, we show that, if the energy is measured within chemical precision, the CNOT count in the resulting circuits is close to the ideal one. With scarce measurement data, AIM-ADAPT-VQE still converges to the ground state with high probability, albeit with an increased circuit depth in some cases.

quant-ph