new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Oct 16

Sequential quantum simulation of spin chains with a single circuit QED device

Quantum simulation of many-body systems in materials science and chemistry are promising application areas for quantum computers. However, the limited scale and coherence of near-term quantum processors pose a significant obstacle to realizing this potential. Here, we theoretically outline how a single-circuit quantum electrodynamics (cQED) device, consisting of a transmon qubit coupled to a long-lived cavity mode, can be used to simulate the ground state of a highly-entangled quantum many-body spin chain. We exploit recently developed methods for implementing quantum operations to sequentially build up a matrix product state (MPS) representation of a many-body state. This approach re-uses the transmon qubit to read out the state of each spin in the chain and exploits the large state space of the cavity as a quantum memory encoding inter-site correlations and entanglement. We show, through simulation, that analog (pulse-level) control schemes can accurately prepare a known MPS representation of a quantum critical spin chain in significantly less time than digital (gate-based) methods, thereby reducing the exposure to decoherence. We then explore this analog-control approach for the variational preparation of an unknown ground state. We demonstrate that the large state space of the cavity can be used to replace multiple qubits in a qubit-only architecture, and could therefore simplify the design of quantum processors for materials simulation. We explore the practical limitations of realistic noise and decoherence and discuss avenues for scaling this approach to more complex problems that challenge classical computational methods.

  • 5 authors
·
Aug 29, 2023

Lorentz-Equivariant Quantum Graph Neural Network for High-Energy Physics

The rapid data surge from the high-luminosity Large Hadron Collider introduces critical computational challenges requiring novel approaches for efficient data processing in particle physics. Quantum machine learning, with its capability to leverage the extensive Hilbert space of quantum hardware, offers a promising solution. However, current quantum graph neural networks (GNNs) lack robustness to noise and are often constrained by fixed symmetry groups, limiting adaptability in complex particle interaction modeling. This paper demonstrates that replacing the Lorentz Group Equivariant Block modules in LorentzNet with a dressed quantum circuit significantly enhances performance despite using nearly 5.5 times fewer parameters. Additionally, quantum circuits effectively replace MLPs by inherently preserving symmetries, with Lorentz symmetry integration ensuring robust handling of relativistic invariance. Our Lorentz-Equivariant Quantum Graph Neural Network (Lorentz-EQGNN) achieved 74.00% test accuracy and an AUC of 87.38% on the Quark-Gluon jet tagging dataset, outperforming the classical and quantum GNNs with a reduced architecture using only 4 qubits. On the Electron-Photon dataset, Lorentz-EQGNN reached 67.00% test accuracy and an AUC of 68.20%, demonstrating competitive results with just 800 training samples. Evaluation of our model on generic MNIST and FashionMNIST datasets confirmed Lorentz-EQGNN's efficiency, achieving 88.10% and 74.80% test accuracy, respectively. Ablation studies validated the impact of quantum components on performance, with notable improvements in background rejection rates over classical counterparts. These results highlight Lorentz-EQGNN's potential for immediate applications in noise-resilient jet tagging, event classification, and broader data-scarce HEP tasks.

  • 5 authors
·
Nov 3, 2024

Curriculum reinforcement learning for quantum architecture search under hardware errors

The key challenge in the noisy intermediate-scale quantum era is finding useful circuits compatible with current device limitations. Variational quantum algorithms (VQAs) offer a potential solution by fixing the circuit architecture and optimizing individual gate parameters in an external loop. However, parameter optimization can become intractable, and the overall performance of the algorithm depends heavily on the initially chosen circuit architecture. Several quantum architecture search (QAS) algorithms have been developed to design useful circuit architectures automatically. In the case of parameter optimization alone, noise effects have been observed to dramatically influence the performance of the optimizer and final outcomes, which is a key line of study. However, the effects of noise on the architecture search, which could be just as critical, are poorly understood. This work addresses this gap by introducing a curriculum-based reinforcement learning QAS (CRLQAS) algorithm designed to tackle challenges in realistic VQA deployment. The algorithm incorporates (i) a 3D architecture encoding and restrictions on environment dynamics to explore the search space of possible circuits efficiently, (ii) an episode halting scheme to steer the agent to find shorter circuits, and (iii) a novel variant of simultaneous perturbation stochastic approximation as an optimizer for faster convergence. To facilitate studies, we developed an optimized simulator for our algorithm, significantly improving computational efficiency in simulating noisy quantum circuits by employing the Pauli-transfer matrix formalism in the Pauli-Liouville basis. Numerical experiments focusing on quantum chemistry tasks demonstrate that CRLQAS outperforms existing QAS algorithms across several metrics in both noiseless and noisy environments.

  • 6 authors
·
Feb 5, 2024

High-Fidelity Quantum Information Transmission Using a Room-Temperature Nonrefrigerated Lossy Microwave Waveguide

Quantum microwave transmission is key to realizing modular superconducting quantum computers and distributed quantum networks. A large number of incoherent photons are thermally generated within the microwave frequency spectrum. The closeness of the transmitted quantum state to the source-generated quantum state at the input of the transmission link (measured by the transmission fidelity) degrades due to the presence of the incoherent photons. Hence, high-fidelity quantum microwave transmission has long been considered to be infeasible without refrigeration [3,4]. In this study, we propose a novel method for high-fidelity quantum microwave transmission using a room-temperature lossy waveguide. The proposed scheme consists of connecting two cryogenic nodes (i.e., a transmitter and a receiver) by the room-temperature lossy microwave waveguide. First, cryogenic preamplification is implemented prior to transmission. Second, at the receiver side, a cryogenic loop antenna is placed inside the output port of the waveguide and coupled to an LC harmonic oscillator located outside the waveguide. The loop antenna converts quantum microwave fields (which contain both signal and noise photons) to a quantum voltage across the coupled LC harmonic oscillator. The loop antenna detector at the receiver is designed to extensively suppress the induced photons across the LC oscillator. The signal transmittance is maintained intact by providing significant preamplification gain. Our calculations show that high-fidelity quantum transmission (i.e., more than 95%) is realized based on the proposed scheme for transmission distances reaching 100 m.

  • 2 authors
·
Jul 2, 2022

SpinGQE: A Generative Quantum Eigensolver for Spin Hamiltonians

The ground state search problem is central to quantum computing, with applications spanning quantum chemistry, condensed matter physics, and optimization. The Variational Quantum Eigensolver (VQE) has shown promise for small systems but faces significant limitations. These include barren plateaus, restricted ansatz expressivity, and reliance on domain-specific structure. We present SpinGQE, an extension of the Generative Quantum Eigensolver (GQE) framework to spin Hamiltonians. Our approach reframes circuit design as a generative modeling task. We employ a transformer-based decoder to learn distributions over quantum circuits that produce low-energy states. Training is guided by a weighted mean-squared error loss between model logits and circuit energies evaluated at each gate subsequence. We validate our method on the four-qubit Heisenberg model, demonstrating successfulconvergencetonear-groundstates. Throughsystematichyperparameterexploration, we identify optimal configurations: smaller model architectures (12 layers, 8 attention heads), longer sequence lengths (12 gates), and carefully chosen operator pools yield the most reliable convergence. Our results show that generative approaches can effectively navigate complex energy landscapes without relying on problem-specific symmetries or structure. This provides a scalable alternative to traditional variational methods for general quantum systems. An open-source implementation is available at https://github.com/Mindbeam-AI/SpinGQE.

  • 3 authors
·
Mar 24

Approximate Quantum Compiling for Quantum Simulation: A Tensor Network based approach

We introduce AQCtensor, a novel algorithm to produce short-depth quantum circuits from Matrix Product States (MPS). Our approach is specifically tailored to the preparation of quantum states generated from the time evolution of quantum many-body Hamiltonians. This tailored approach has two clear advantages over previous algorithms that were designed to map a generic MPS to a quantum circuit. First, we optimize all parameters of a parametric circuit at once using Approximate Quantum Compiling (AQC) - this is to be contrasted with other approaches based on locally optimizing a subset of circuit parameters and "sweeping" across the system. We introduce an optimization scheme to avoid the so-called ``orthogonality catastrophe" - i.e. the fact that the fidelity of two arbitrary quantum states decays exponentially with the number of qubits - that would otherwise render a global optimization of the circuit impractical. Second, the depth of our parametric circuit is constant in the number of qubits for a fixed simulation time and fixed error tolerance. This is to be contrasted with the linear circuit Ansatz used in generic algorithms whose depth scales linearly in the number of qubits. For simulation problems on 100 qubits, we show that AQCtensor thus achieves at least an order of magnitude reduction in the depth of the resulting optimized circuit, as compared with the best generic MPS to quantum circuit algorithms. We demonstrate our approach on simulation problems on Heisenberg-like Hamiltonians on up to 100 qubits and find optimized quantum circuits that have significantly reduced depth as compared to standard Trotterized circuits.

  • 4 authors
·
Jan 20, 2023

Enhancing Quantum Variational Algorithms with Zero Noise Extrapolation via Neural Networks

In the emergent realm of quantum computing, the Variational Quantum Eigensolver (VQE) stands out as a promising algorithm for solving complex quantum problems, especially in the noisy intermediate-scale quantum (NISQ) era. However, the ubiquitous presence of noise in quantum devices often limits the accuracy and reliability of VQE outcomes. This research introduces a novel approach to ameliorate this challenge by utilizing neural networks for zero noise extrapolation (ZNE) in VQE computations. By employing the Qiskit framework, we crafted parameterized quantum circuits using the RY-RZ ansatz and examined their behavior under varying levels of depolarizing noise. Our investigations spanned from determining the expectation values of a Hamiltonian, defined as a tensor product of Z operators, under different noise intensities to extracting the ground state energy. To bridge the observed outcomes under noise with the ideal noise-free scenario, we trained a Feed Forward Neural Network on the error probabilities and their associated expectation values. Remarkably, our model proficiently predicted the VQE outcome under hypothetical noise-free conditions. By juxtaposing the simulation results with real quantum device executions, we unveiled the discrepancies induced by noise and showcased the efficacy of our neural network-based ZNE technique in rectifying them. This integrative approach not only paves the way for enhanced accuracy in VQE computations on NISQ devices but also underlines the immense potential of hybrid quantum-classical paradigms in circumventing the challenges posed by quantum noise. Through this research, we envision a future where quantum algorithms can be reliably executed on noisy devices, bringing us one step closer to realizing the full potential of quantum computing.

  • 4 authors
·
Mar 10, 2024

Programmable Heisenberg interactions between Floquet qubits

The fundamental trade-off between robustness and tunability is a central challenge in the pursuit of quantum simulation and fault-tolerant quantum computation. In particular, many emerging quantum architectures are designed to achieve high coherence at the expense of having fixed spectra and consequently limited types of controllable interactions. Here, by adiabatically transforming fixed-frequency superconducting circuits into modifiable Floquet qubits, we demonstrate an XXZ Heisenberg interaction with fully adjustable anisotropy. This interaction model is on one hand the basis for many-body quantum simulation of spin systems, and on the other hand the primitive for an expressive quantum gate set. To illustrate the robustness and versatility of our Floquet protocol, we tailor the Heisenberg Hamiltonian and implement two-qubit iSWAP, CZ, and SWAP gates with estimated fidelities of 99.32(3)%, 99.72(2)%, and 98.93(5)%, respectively. In addition, we implement a Heisenberg interaction between higher energy levels and employ it to construct a three-qubit CCZ gate with a fidelity of 96.18(5)%. Importantly, the protocol is applicable to various fixed-frequency high-coherence platforms, thereby unlocking a suite of essential interactions for high-performance quantum information processing. From a broader perspective, our work provides compelling avenues for future exploration of quantum electrodynamics and optimal control using the Floquet framework.

  • 12 authors
·
Nov 18, 2022

Optimising Iteration Scheduling for Full-State Vector Simulation of Quantum Circuits on FPGAs

As the field of quantum computing grows, novel algorithms which take advantage of quantum phenomena need to be developed. As we are currently in the NISQ (noisy intermediate scale quantum) era, quantum algorithm researchers cannot reliably test their algorithms on real quantum hardware, which is still too limited. Instead, quantum computing simulators on classical computing systems are used. In the quantum circuit model, quantum bits (qubits) are operated on by quantum gates. A quantum circuit is a sequence of such quantum gates operating on some number of qubits. A quantum gate applied to a qubit can be controlled by other qubits in the circuit. This applies the gate only to the states which satisfy the required control qubit state. We particularly target FPGAs as our main simulation platform, as these offer potential energy savings when compared to running simulations on CPUs/GPUs. In this work, we present a memory access pattern to optimise the number of iterations that need to be scheduled to execute a quantum gate such that only the iterations which access the required pairs (determined according to the control qubits imposed on the gate) are scheduled. We show that this approach results in a significant reduction in the time required to simulate a gate for each added control qubit. We also show that this approach benefits the simulation time on FPGAs more than CPUs and GPUs and allows to outperform both CPU and GPU platforms in terms of energy efficiency, which is the main factor for scalability of the simulations.

  • 4 authors
·
Nov 26, 2024

Classification with Quantum Neural Networks on Near Term Processors

We introduce a quantum neural network, QNN, that can represent labeled data, classical or quantum, and be trained by supervised learning. The quantum circuit consists of a sequence of parameter dependent unitary transformations which acts on an input quantum state. For binary classification a single Pauli operator is measured on a designated readout qubit. The measured output is the quantum neural network's predictor of the binary label of the input state. First we look at classifying classical data sets which consist of n-bit strings with binary labels. The input quantum state is an n-bit computational basis state corresponding to a sample string. We show how to design a circuit made from two qubit unitaries that can correctly represent the label of any Boolean function of n bits. For certain label functions the circuit is exponentially long. We introduce parameter dependent unitaries that can be adapted by supervised learning of labeled data. We study an example of real world data consisting of downsampled images of handwritten digits each of which has been labeled as one of two distinct digits. We show through classical simulation that parameters can be found that allow the QNN to learn to correctly distinguish the two data sets. We then discuss presenting the data as quantum superpositions of computational basis states corresponding to different label values. Here we show through simulation that learning is possible. We consider using our QNN to learn the label of a general quantum state. By example we show that this can be done. Our work is exploratory and relies on the classical simulation of small quantum systems. The QNN proposed here was designed with near-term quantum processors in mind. Therefore it will be possible to run this QNN on a near term gate model quantum computer where its power can be explored beyond what can be explored with simulation.

  • 2 authors
·
Feb 16, 2018

Real-Time Krylov Theory for Quantum Computing Algorithms

Quantum computers provide new avenues to access ground and excited state properties of systems otherwise difficult to simulate on classical hardware. New approaches using subspaces generated by real-time evolution have shown efficiency in extracting eigenstate information, but the full capabilities of such approaches are still not understood. In recent work, we developed the variational quantum phase estimation (VQPE) method, a compact and efficient real-time algorithm to extract eigenvalues on quantum hardware. Here we build on that work by theoretically and numerically exploring a generalized Krylov scheme where the Krylov subspace is constructed through a parametrized real-time evolution, which applies to the VQPE algorithm as well as others. We establish an error bound that justifies the fast convergence of our spectral approximation. We also derive how the overlap with high energy eigenstates becomes suppressed from real-time subspace diagonalization and we visualize the process that shows the signature phase cancellations at specific eigenenergies. We investigate various algorithm implementations and consider performance when stochasticity is added to the target Hamiltonian in the form of spectral statistics. To demonstrate the practicality of such real-time evolution, we discuss its application to fundamental problems in quantum computation such as electronic structure predictions for strongly correlated systems.

  • 6 authors
·
Jun 9, 2023

KetGPT - Dataset Augmentation of Quantum Circuits using Transformers

Quantum algorithms, represented as quantum circuits, can be used as benchmarks for assessing the performance of quantum systems. Existing datasets, widely utilized in the field, suffer from limitations in size and versatility, leading researchers to employ randomly generated circuits. Random circuits are, however, not representative benchmarks as they lack the inherent properties of real quantum algorithms for which the quantum systems are manufactured. This shortage of `useful' quantum benchmarks poses a challenge to advancing the development and comparison of quantum compilers and hardware. This research aims to enhance the existing quantum circuit datasets by generating what we refer to as `realistic-looking' circuits by employing the Transformer machine learning architecture. For this purpose, we introduce KetGPT, a tool that generates synthetic circuits in OpenQASM language, whose structure is based on quantum circuits derived from existing quantum algorithms and follows the typical patterns of human-written algorithm-based code (e.g., order of gates and qubits). Our three-fold verification process, involving manual inspection and Qiskit framework execution, transformer-based classification, and structural analysis, demonstrates the efficacy of KetGPT in producing large amounts of additional circuits that closely align with algorithm-based structures. Beyond benchmarking, we envision KetGPT contributing substantially to AI-driven quantum compilers and systems.

  • 4 authors
·
Feb 20, 2024

Fine-Tuning Large Language Models on Quantum Optimization Problems for Circuit Generation

Large language models (LLM) have achieved remarkable outcomes in addressing complex problems, including math, coding, and analyzing large amounts of scientific reports. Yet few works have explored the potential of LLM in quantum computing. The most challenging problem is how to leverage LLMs to automatically generate quantum circuits at a large scale. In this paper, we address such a challenge by fine-tuning LLMs and injecting the domain-specific knowledge of quantum computing. In particular, we investigate the mechanisms to generate training data sets and construct the end-to-end pipeline to fine-tune pre-trained LLMs that produce parameterized quantum circuits for optimization problems. We have prepared 14,000 quantum circuits covering a substantial part of the quantum optimization landscape: 12 optimization problem instances and their optimized QAOA, VQE, and adaptive VQE circuits. The fine-tuned LLMs can construct syntactically correct parametrized quantum circuits in the most recent OpenQASM 3.0. We have evaluated the quality of the parameters by comparing them to the optimized expectation values and distributions. Our evaluation shows that the fine-tuned LLM outperforms state-of-the-art models and that the parameters are better than random. The LLM-generated parametrized circuits and initial parameters can be used as a starting point for further optimization, e.g., templates in quantum machine learning and the benchmark for compilers and hardware.

  • 4 authors
·
Apr 15, 2025

Operator-language Feynman rules for driven-dissipative quantum systems: from mean field to non-Gaussian photon correlations

We construct Feynman rules for Lindblad master equations in the operator language of quantum optics: a fixed algebra of elementary operator moves and closed-form propagators for perturbation theory about an exactly solvable, in most cases Gaussian, generator. The expansion separates into a kinematic part (the shift algebra on the Wick-ordered eigenoperators O_{mn}=:(c^dagger)^m c^n:, from which the vertex table for a specified interaction is assembled) and a dynamical part that enters only through the resolvent of the unperturbed generator, diagonal and additive for any stable, diagonalizable Gaussian L_0, including thermal and squeezed reservoirs and correlated decay, and equally available for a two-level emitter, driven or undriven. In the driven Kerr cavity the loop expansion is the semiclassical expansion and the series is asymptotic. In a strongly driven two-level atom, dressed lines replace a series of finite radius by one accurate deep into saturation, one line per Mollow component. For Kerr rings and chains the cost is polynomial in the number of sites at fixed perturbative order. On a three-site ring the diagrams recover the non-Gaussian part of the three-photon correlation that the Gaussian cumulant closure lacks; carried to tenth order they give the smallest g^{(3)} error of the methods compared for Uleq0.25κ at a cost below that of a fourth-order closure, and third- and fourth-order closures are more accurate at moderate coupling. The same rules, extended to the counting-field-tilted generator, give the photon-counting cumulants of a disordered eight-site chain beyond direct diagonalization; quantum-jump trajectories at three couplings agree with them to within 1.6 standard errors, within one at the strongest coupling, where they place the third cumulant six standard errors above the Gaussian value.

  • 3 authors
·
Sep 29

Quantum singular value transformation and beyond: exponential improvements for quantum matrix arithmetics

Quantum computing is powerful because unitary operators describing the time-evolution of a quantum system have exponential size in terms of the number of qubits present in the system. We develop a new "Singular value transformation" algorithm capable of harnessing this exponential advantage, that can apply polynomial transformations to the singular values of a block of a unitary, generalizing the optimal Hamiltonian simulation results of Low and Chuang. The proposed quantum circuits have a very simple structure, often give rise to optimal algorithms and have appealing constant factors, while usually only use a constant number of ancilla qubits. We show that singular value transformation leads to novel algorithms. We give an efficient solution to a certain "non-commutative" measurement problem and propose a new method for singular value estimation. We also show how to exponentially improve the complexity of implementing fractional queries to unitaries with a gapped spectrum. Finally, as a quantum machine learning application we show how to efficiently implement principal component regression. "Singular value transformation" is conceptually simple and efficient, and leads to a unified framework of quantum algorithms incorporating a variety of quantum speed-ups. We illustrate this by showing how it generalizes a number of prominent quantum algorithms, including: optimal Hamiltonian simulation, implementing the Moore-Penrose pseudoinverse with exponential precision, fixed-point amplitude amplification, robust oblivious amplitude amplification, fast QMA amplification, fast quantum OR lemma, certain quantum walk results and several quantum machine learning algorithms. In order to exploit the strengths of the presented method it is useful to know its limitations too, therefore we also prove a lower bound on the efficiency of singular value transformation, which often gives optimal bounds.

  • 4 authors
·
Jun 4, 2018

1d-qt-ideal-solver: 1D Idealized Quantum Tunneling Solver with Absorbing Boundaries

We present 1d-qt-ideal-solver, an open-source Python library for simulating one-dimensional quantum tunneling dynamics under idealized coherent conditions. The solver implements the split-operator method with second-order Trotter-Suzuki factorization, utilizing FFT-based spectral differentiation for the kinetic operator and complex absorbing potentials to eliminate boundary reflections. Numba just-in-time compilation achieves performance comparable to compiled languages while maintaining code accessibility. We validate the implementation through two canonical test cases: rectangular barriers modeling field emission through oxide layers and Gaussian barriers approximating scanning tunneling microscopy interactions. Both simulations achieve exceptional numerical fidelity with machine-precision energy conservation over femtosecond-scale propagation. Comparative analysis employing information-theoretic measures and nonparametric hypothesis tests reveals that rectangular barriers exhibit moderately higher transmission coefficients than Gaussian barriers in the over-barrier regime, though Jensen-Shannon divergence analysis indicates modest practical differences between geometries. Phase space analysis confirms complete decoherence when averaged over spatial-temporal domains. The library name reflects its scope: idealized signifies deliberate exclusion of dissipation, environmental coupling, and many-body interactions, limiting applicability to qualitative insights and pedagogical purposes rather than quantitative experimental predictions. Distributed under the MIT License, the library provides a deployable tool for teaching quantum mechanics and preliminary exploration of tunneling dynamics.

  • 5 authors
·
Dec 27, 2025

Limitations of Quantum Hardware for Molecular Energy Estimation Using VQE

Variational quantum eigensolvers (VQEs) are among the most promising quantum algorithms for solving electronic structure problems in quantum chemistry, particularly during the Noisy Intermediate-Scale Quantum (NISQ) era. In this study, we investigate the capabilities and limitations of VQE algorithms implemented on current quantum hardware for determining molecular ground-state energies, focusing on the adaptive derivative-assembled pseudo-Trotter ansatz VQE (ADAPT-VQE). To address the significant computational challenges posed by molecular Hamiltonians, we explore various strategies to simplify the Hamiltonian, optimize the ansatz, and improve classical parameter optimization through modifications of the COBYLA optimizer. These enhancements are integrated into a tailored quantum computing implementation designed to minimize the circuit depth and computational cost. Using benzene as a benchmark system, we demonstrate the application of these optimizations on an IBM quantum computer. Despite these improvements, our results highlight the limitations imposed by current quantum hardware, particularly the impact of quantum noise on state preparation and energy measurement. The noise levels in today's devices prevent meaningful evaluations of molecular Hamiltonians with sufficient accuracy to produce reliable quantum chemical insights. Finally, we extrapolate the requirements for future quantum hardware to enable practical and scalable quantum chemistry calculations using VQE algorithms. This work provides a roadmap for advancing quantum algorithms and hardware toward achieving quantum advantage in molecular modeling.

  • 3 authors
·
Jun 4, 2025

Analytical simulations of the resonant transmission of electrons in a closed nanocircuit for terahertz applications where a tunneling junction is shunted by a metallic nanowire

Earlier, in the CINT program at Los Alamos National Laboratory, we focused ultrafast mode-locked lasers on the tip-sample junction of a scanning tunneling microscope to generate currents at hundreds of harmonics of the laser pulse repetition frequency. Each harmonic has a signal-to-noise ratio of 20 dB with a 10-dB linewidth of only 3 Hz. Now we model closed quantum nanocircuits with rectangular, triangular, or delta-function barrier, shunted by a beryllium filament for quasi-coherent electron transport over mean-free paths as great as 68 nm. The time-independent Schrödinger equation is solved with the boundary conditions that the wavefunction and its derivative are continuous at both connections. These four boundary conditions are used to form a four-by-four complex matrix equation with only zeros in the right-hand column vector which is required to have a non-trivial solution with each of the closed nanocircuits. Each model has four parameters: (1) the barrier length, (2) the height and shape of the barrier, (3) the length of the pre-barrier, and (4) the electron energy. Any three of these may be specified and then the fourth is varied to bring the determinant to zero to find the solutions on lines or surfaces in the space defined by the four parameters. First, we use a simplistic model having a rectangular barrier. The second model has a triangular barrier as a first approximation to field emission, and we are considering applying this approach for a self-contained nanoscale extension of our earlier effort to generate the harmonics at Los Alamos. The third model has a delta-function barrier, and the fourth model is an extension of the first one where the width of the rectangular barrier is varied inversely with its height.

  • 1 authors
·
Oct 24, 2023

Roadmap: 2D Materials for Quantum Technologies

Two-dimensional (2D) materials have emerged as a versatile and powerful platform for quantum technologies, offering atomic-scale control, strong quantum confinement, and seamless integration into heterogeneous device architectures. Their reduced dimensionality enables unique quantum phenomena, including optically addressable spin defects, tunable single-photon emitters, low-dimensional magnetism, gate-controlled superconductivity, and correlated states in Moiré superlattices. This Roadmap provides a comprehensive overview of recent progress and future directions in exploiting 2D materials for quantum sensing, computation, communication, and simulation. We survey advances spanning spin defects and quantum sensing, quantum emitters and nonlinear photonics, computational theory and data-driven discovery of quantum defects, spintronic and magnonic devices, cavity-engineered quantum materials, superconducting and hybrid quantum circuits, quantum dots, Moiré quantum simulators, and quantum communication platforms. Across these themes, we identify common challenges in defect control, coherence preservation, interfacial engineering, and scalable integration, alongside emerging opportunities driven by machine-learning-assisted design and integrated experiment-theory feedback loops. By connecting microscopic quantum states to mesoscopic excitations and macroscopic device architectures, this Roadmap outlines a materials-centric framework for integrating coherent quantum functionalities and positions 2D materials as foundational building blocks for next-generation quantum technologies.

  • 32 authors
·
Dec 16, 2025

Differentiable quantum computational chemistry with PennyLane

This work describes the theoretical foundation for all quantum chemistry functionality in PennyLane, a quantum computing software library specializing in quantum differentiable programming. We provide an overview of fundamental concepts in quantum chemistry, including the basic principles of the Hartree-Fock method. A flagship feature in PennyLane is the differentiable Hartree-Fock solver, allowing users to compute exact gradients of molecular Hamiltonians with respect to nuclear coordinates and basis set parameters. PennyLane provides specialized operations for quantum chemistry, including excitation gates as Givens rotations and templates for quantum chemistry circuits. Moreover, built-in simulators exploit sparse matrix techniques for representing molecular Hamiltonians that lead to fast simulation for quantum chemistry applications. In combination with PennyLane's existing methods for constructing, optimizing, and executing circuits, these methods allow users to implement a wide range of quantum algorithms for quantum chemistry. We discuss how PennyLane can be used to implement variational algorithms for calculating ground-state energies, excited-state energies, and energy derivatives, all of which can be differentiated with respect to both circuit and Hamiltonian parameters. We provide an example workflow describing how to jointly optimize circuit parameters, nuclear coordinates, and basis set parameters for quantum chemistry algorithms. We discuss a functionality for reducing the number of qubits by using symmetries and explain how PennyLane can be used to estimate quantum resources needed to implement several quantum algorithms. By combining insights from quantum computing, computational chemistry, and machine learning, PennyLane is the first library for differentiable quantum computational chemistry.

  • 18 authors
·
Jan 4, 2023

Learning to Program Variational Quantum Circuits with Fast Weights

Quantum Machine Learning (QML) has surfaced as a pioneering framework addressing sequential control tasks and time-series modeling. It has demonstrated empirical quantum advantages notably within domains such as Reinforcement Learning (RL) and time-series prediction. A significant advancement lies in Quantum Recurrent Neural Networks (QRNNs), specifically tailored for memory-intensive tasks encompassing partially observable environments and non-linear time-series prediction. Nevertheless, QRNN-based models encounter challenges, notably prolonged training duration stemming from the necessity to compute quantum gradients using backpropagation-through-time (BPTT). This predicament exacerbates when executing the complete model on quantum devices, primarily due to the substantial demand for circuit evaluation arising from the parameter-shift rule. This paper introduces the Quantum Fast Weight Programmers (QFWP) as a solution to the temporal or sequential learning challenge. The QFWP leverages a classical neural network (referred to as the 'slow programmer') functioning as a quantum programmer to swiftly modify the parameters of a variational quantum circuit (termed the 'fast programmer'). Instead of completely overwriting the fast programmer at each time-step, the slow programmer generates parameter changes or updates for the quantum circuit parameters. This approach enables the fast programmer to incorporate past observations or information. Notably, the proposed QFWP model achieves learning of temporal dependencies without necessitating the use of quantum recurrent neural networks. Numerical simulations conducted in this study showcase the efficacy of the proposed QFWP model in both time-series prediction and RL tasks. The model exhibits performance levels either comparable to or surpassing those achieved by QLSTM-based models.

  • 1 authors
·
Feb 27, 2024

Towards violations of Local Friendliness with quantum computers

Local Friendliness (LF) inequalities follow from seemingly reasonable assumptions about reality: (i) ``absoluteness of observed events'' (e.g., every observed event happens for all observers) and (ii) ``local agency'' (e.g., free choices can be made uncorrelated with other events outside their future light cone). Extended Wigner's Friend Scenario (EWFS) thought experiments show that textbook quantum mechanics violates these inequalities. Thus, experimental evidence of these violations would make these two assumptions incompatible. In [Nature Physics 16, 1199 (2020)], the authors experimentally implemented an EWFS, using a photonic qubit to play the role of each of the ``friends'' and measured violations of LF. One may question whether a photonic qubit is a physical system that counts as an ``observer'' and thereby question whether the experiment's outcome is significant. Intending to measure increasingly meaningful violations, we propose using a statistical measure called the ``branch factor'' to quantify the ``observerness'' of the system. We then encode the EWFS as a quantum circuit such that the components of the circuit that define the friend are quantum systems of increasing branch factor. We run this circuit on quantum simulators and hardware devices, observing LF violations as the system sizes scale. As errors in quantum computers reduce the significance of the violations, better quantum computers can produce better violations. Our results extend the state of the art in proof-of-concept experimental violations from branch factor 0.0 to branch factor 16.0. This is an initial result in an experimental program for measuring LF violations at increasingly meaningful branch factors using increasingly more powerful quantum processors and networks. We introduce this program as a fundamental science application for near-term and developing quantum technology.

  • 3 authors
·
Sep 3, 2025

Circuit Hypernetworks for Quantum-Augmented Diffusion Language Models

Language models can be adapted by changing the computations applied to individual tokens. Quantum circuits offer one such approach, but evaluating wider circuits inside a large model can be computationally demanding. Here we introduce HyperQ, which adds token-conditioned quantum residual branches to a frozen masked-diffusion language model. A quantum residual branch is a module in each transformer block that reads a token's hidden state, emits the coordinates of that token's circuit, executes it, and adds the measured values back through a residual connection. The backbone remains frozen, and only the added branches are trained. Within each branch, a lightweight circuit hypernetwork emits token-specific rotation angles, coupling strengths, and measurement axes in a shared sparse circuit structure. The required expectation values have an exact classical expression whose evaluation cost grows linearly with the qubit count, enabling circuits from 16 to 64 qubits to be trained within a 1.1-billion-parameter backbone. Across downstream benchmarks, increasing circuit width raises the average score from 47.65 to 54.30. At 64 qubits, HyperQ exceeds the backbone and its low-rank-adapted counterpart by 4.71 and 3.67 points, respectively. HyperQ is fine-tuned on 20,000 prompt-response pairs, compared with 200,000 for the classical baselines. These findings support token-conditioned circuit emission as a tractable architectural approach to quantum-augmented language modelling.

Scalable Message-Passing Quantum Graph Neural Networks in the Weisfeiler-Leman Hierarchy

Graphs provide a natural language for relational data in chemistry, biology and optimisation. Graph neural networks (GNNs) have driven much of the recent progress in learning from such data through message passing, a single primitive that generalises convolution and attention. Quantum counterparts have been proposed, but with limited connection to message passing and few guarantees on performance or scalability. More broadly, the trainability of variational quantum circuits is a recognised bottleneck for their wide applicability, and pre-training has emerged as one way to address it. Yet for a quantum model to be useful, it must offer expressivity guarantees along with demonstrable scalability. Here we show how a quantum graph neural network can be built to perform message passing, to be permutation equivariant, and to sit at a chosen level of the Weisfeiler-Leman hierarchy, the standard measure of how finely a model can tell graphs apart. We show that, as for classical GNNs, the training can be done first on small graph instances, allowing for a pre-training that can mitigate usual training issues, and its output can be read out at a cost that stays low as the graph grows. We validate the framework in large-scale simulations of up to 56 qubits across three datasets, on synthetic graphs that ordinary message passing cannot separate, on molecular property prediction, and on the travelling salesperson problem. Our framework opens a path for near-term quantum algorithms with theoretical guarantees and practical scalability, bringing the principles of graph learning into quantum circuit design.

  • 6 authors
·
Jun 25

Synergy Between Quantum Circuits and Tensor Networks: Short-cutting the Race to Practical Quantum Advantage

While recent breakthroughs have proven the ability of noisy intermediate-scale quantum (NISQ) devices to achieve quantum advantage in classically-intractable sampling tasks, the use of these devices for solving more practically relevant computational problems remains a challenge. Proposals for attaining practical quantum advantage typically involve parametrized quantum circuits (PQCs), whose parameters can be optimized to find solutions to diverse problems throughout quantum simulation and machine learning. However, training PQCs for real-world problems remains a significant practical challenge, largely due to the phenomenon of barren plateaus in the optimization landscapes of randomly-initialized quantum circuits. In this work, we introduce a scalable procedure for harnessing classical computing resources to provide pre-optimized initializations for PQCs, which we show significantly improves the trainability and performance of PQCs on a variety of problems. Given a specific optimization task, this method first utilizes tensor network (TN) simulations to identify a promising quantum state, which is then converted into gate parameters of a PQC by means of a high-performance decomposition procedure. We show that this learned initialization avoids barren plateaus, and effectively translates increases in classical resources to enhanced performance and speed in training quantum circuits. By demonstrating a means of boosting limited quantum resources using classical computers, our approach illustrates the promise of this synergy between quantum and quantum-inspired models in quantum computing, and opens up new avenues to harness the power of modern quantum hardware for realizing practical quantum advantage.

  • 6 authors
·
Aug 29, 2022

Quantum simulations of nuclear resonances with variational methods

The many-body nature of nuclear physics problems poses significant computational challenges. These challenges become even more pronounced when studying the resonance states of nuclear systems, which are governed by the non-Hermitian Hamiltonian. Quantum computing, particularly for quantum many-body systems, offers a promising alternative, especially within the constraints of current noisy intermediate-scale quantum (NISQ) devices. This work aims to simulate nuclear resonances using quantum algorithms by developing a variational framework compatible with non-Hermitian Hamiltonians and implementing it fully on a quantum simulator. We employ the complex scaling technique to extract resonance positions classically and adapt it for quantum simulations using a two-step algorithm. First, we transform the non-Hermitian Hamiltonian into a Hermitian form by using the energy variance as a cost function within a variational framework. Second, we perform theta-trajectory calculations to determine optimal resonance positions in the complex energy plane. To address resource constraints on NISQ devices, we utilize Gray Code (GC) encoding to reduce qubit requirements. We first validate our approach using a schematic potential model that mimics a nuclear potential, successfully reproducing known resonance energies with high fidelity. We then extend the method to a more realistic alpha-alpha nuclear potential and compute the resonance energies with a basis size of 16, using only four qubits. This study demonstrates, for the first time, that the complete theta-trajectory method can be implemented on a quantum computer without relying on any classical input beyond the Hamiltonian. The results establish a scalable and efficient quantum framework for simulating resonance phenomena in nuclear systems. This work represents a significant step toward quantum simulations of open quantum systems.

  • 3 authors
·
Apr 15, 2025

Quantum Variational Activation Functions Empower Kolmogorov-Arnold Networks

Variational quantum circuits (VQCs) are central to quantum machine learning, while recent progress in Kolmogorov-Arnold networks (KANs) highlights the power of learnable activation functions. We unify these directions by introducing quantum variational activation functions (QVAFs), realized through single-qubit data re-uploading circuits called DatA Re-Uploading ActivatioNs (DARUANs). We show that DARUAN with trainable weights in data pre-processing possesses an exponentially growing frequency spectrum with data repetitions, enabling an exponential reduction in parameter size compared with Fourier-based activations without loss of expressivity. Embedding DARUAN into KANs yields quantum-inspired KANs (QKANs), which retain the interpretability of KANs while improving their parameter efficiency, expressivity, and generalization. We further introduce two novel techniques to enhance scalability, feasibility and computational efficiency, such as layer extension and hybrid QKANs (HQKANs) as drop-in replacements of multi-layer perceptrons (MLPs) for feed-forward networks in large-scale models. We provide theoretical analysis and extensive experiments on function regression, image classification, and autoregressive generative language modeling, demonstrating the efficiency and scalability of QKANs. DARUANs and QKANs offer a promising direction for advancing quantum machine learning on both noisy intermediate-scale quantum (NISQ) hardware and classical quantum simulators.

  • 4 authors
·
Sep 17, 2025 2

A Resource Efficient Quantum Kernel

Quantum processors may enhance machine learning by mapping high-dimensional data onto quantum systems for processing. Conventional feature maps, for encoding data onto a quantum circuit are currently impractical, as the number of entangling gates scales quadratically with the dimension of the dataset and the number of qubits. In this work, we introduce a quantum feature map designed to handle high-dimensional data with a significantly reduced number of qubits and entangling operations. Our approach preserves essential data characteristics while promoting computational efficiency, as evidenced by extensive experiments on benchmark datasets that demonstrate a marked improvement in both accuracy and resource utilization when using our feature map as a kernel for characterization, as compared to state-of-the-art quantum feature maps. Our noisy simulation results, combined with lower resource requirements, highlight our map's ability to function within the constraints of noisy intermediate-scale quantum devices. Through numerical simulations and small-scale implementation on a superconducting circuit quantum computing platform, we demonstrate that our scheme performs on par or better than a set of classical algorithms for classification. While quantum kernels are typically stymied by exponential concentration, our approach is affected with a slower rate with respect to both the number of qubits and features, which allows practical applications to remain within reach. Our findings herald a promising avenue for the practical implementation of quantum machine learning algorithms on near future quantum computing platforms.

  • 4 authors
·
Jul 4, 2025

Less Quantum, More Advantage: An End-to-End Quantum Algorithm for the Jones Polynomial

We present an end-to-end reconfigurable algorithmic pipeline for solving a famous problem in knot theory using a noisy digital quantum computer, namely computing the value of the Jones polynomial at the fifth root of unity within additive error for any input link, i.e. a closed braid. This problem is DQC1-complete for Markov-closed braids and BQP-complete for Plat-closed braids, and we accommodate both versions of the problem. Even though it is widely believed that DQC1 is strictly contained in BQP, and so is 'less quantum', the resource requirements of classical algorithms for the DQC1 version are at least as high as for the BQP version, and so we potentially gain 'more advantage' by focusing on Markov-closed braids in our exposition. We demonstrate our quantum algorithm on Quantinuum's H2-2 quantum computer and show the effect of problem-tailored error-mitigation techniques. Further, leveraging that the Jones polynomial is a link invariant, we construct an efficiently verifiable benchmark to characterise the effect of noise present in a given quantum processor. In parallel, we implement and benchmark the state-of-the-art tensor-network-based classical algorithms for computing the Jones polynomial. The practical tools provided in this work allow for precise resource estimation to identify near-term quantum advantage for a meaningful quantum-native problem in knot theory.

  • 9 authors
·
Mar 7, 2025

Foundations for Near-Term Quantum Natural Language Processing

We provide conceptual and mathematical foundations for near-term quantum natural language processing (QNLP), and do so in quantum computer scientist friendly terms. We opted for an expository presentation style, and provide references for supporting empirical evidence and formal statements concerning mathematical generality. We recall how the quantum model for natural language that we employ canonically combines linguistic meanings with rich linguistic structure, most notably grammar. In particular, the fact that it takes a quantum-like model to combine meaning and structure, establishes QNLP as quantum-native, on par with simulation of quantum systems. Moreover, the now leading Noisy Intermediate-Scale Quantum (NISQ) paradigm for encoding classical data on quantum hardware, variational quantum circuits, makes NISQ exceptionally QNLP-friendly: linguistic structure can be encoded as a free lunch, in contrast to the apparently exponentially expensive classical encoding of grammar. Quantum speed-up for QNLP tasks has already been established in previous work with Will Zeng. Here we provide a broader range of tasks which all enjoy the same advantage. Diagrammatic reasoning is at the heart of QNLP. Firstly, the quantum model interprets language as quantum processes via the diagrammatic formalism of categorical quantum mechanics. Secondly, these diagrams are via ZX-calculus translated into quantum circuits. Parameterisations of meanings then become the circuit variables to be learned. Our encoding of linguistic structure within quantum circuits also embodies a novel approach for establishing word-meanings that goes beyond the current standards in mainstream AI, by placing linguistic structure at the heart of Wittgenstein's meaning-is-context.

  • 4 authors
·
Dec 7, 2020

Polariton Enhanced Free Charge Carrier Generation in Donor-Acceptor Cavity Systems by a Second-Hybridization Mechanism

Cavity quantum electrodynamics has been studied as a potential approach to modify free charge carrier generation in donor-acceptor heterojunctions because of the delocalization and controllable energy level properties of hybridized light-matter states known as polaritons. However, in many experimental systems, cavity coupling decreases charge separation. Here, we theoretically study the quantum dynamics of a coherent and dissipative donor-acceptor cavity system, to investigate the dynamical mechanism and further discover the conditions under which polaritons may enhance free charge carrier generation. We use open quantum system methods based on single-pulse pumping to find that polaritons have the potential to connect excitonic states and charge separated states, further enhancing free charge generation on an ultrafast timescale of several hundred femtoseconds. The mechanism involves that polaritons with proper energy levels allow the exciton to overcome the high Coulomb barrier induced by electron-hole attraction. Moreover, we propose that a second-hybridization between a polariton state and dark states with similar energy enables the formation of the hybrid charge separated states that are optically active. These two mechanisms lead to a maximum of 50% enhancement of free charge carrier generation on a short timescale. However, our simulation reveals that on the longer timescale of picoseconds, internal conversion and cavity loss dominate and suppress free charge carrier generation, reproducing the experimental results. Thus, our work shows that polaritons can affect the charge separation mechanism and promote free charge carrier generation efficiency, but predominantly on a short timescale after photoexcitation.

  • 4 authors
·
Oct 3, 2022

Hardware-efficient Variational Quantum Eigensolver for Small Molecules and Quantum Magnets

Quantum computers can be used to address molecular structure, materials science and condensed matter physics problems, which currently stretch the limits of existing high-performance computing resources. Finding exact numerical solutions to these interacting fermion problems has exponential cost, while Monte Carlo methods are plagued by the fermionic sign problem. These limitations of classical computational methods have made even few-atom molecular structures problems of practical interest for medium-sized quantum computers. Yet, thus far experimental implementations have been restricted to molecules involving only Period I elements. Here, we demonstrate the experimental optimization of up to six-qubit Hamiltonian problems with over a hundred Pauli terms, determining the ground state energy for molecules of increasing size, up to BeH2. This is enabled by a hardware-efficient variational quantum eigensolver with trial states specifically tailored to the available interactions in our quantum processor, combined with a compact encoding of fermionic Hamiltonians and a robust stochastic optimization routine. We further demonstrate the flexibility of our approach by applying the technique to a problem of quantum magnetism. Across all studied problems, we find agreement between experiment and numerical simulations with a noisy model of the device. These results help elucidate the requirements for scaling the method to larger systems, and aim at bridging the gap between problems at the forefront of high-performance computing and their implementation on quantum hardware.

  • 7 authors
·
Apr 17, 2017

Achieving the quantum field theory limit in far-from-equilibrium quantum link models

Realizations of gauge theories in setups of quantum synthetic matter open up the possibility of probing salient exotic phenomena in condensed matter and high-energy physics, along with potential applications in quantum information and science technologies. In light of the impressive ongoing efforts to achieve such realizations, a fundamental question regarding quantum link model regularizations of lattice gauge theories is how faithfully they capture the quantum field theory limit of gauge theories. Recent work [Zache, Van Damme, Halimeh, Hauke, and Banerjee, at https://journals.aps.org/prd/abstract/10.1103/PhysRevD.106.L091502 has shown through analytic derivations, exact diagonalization, and infinite matrix product state calculations that the low-energy physics of 1+1D U(1) quantum link models approaches the quantum field theory limit already at small link spin length S. Here, we show that the approach to this limit also lends itself to the far-from-equilibrium quench dynamics of lattice gauge theories, as demonstrated by our numerical simulations of the Loschmidt return rate and the chiral condensate in infinite matrix product states, which work directly in the thermodynamic limit. Similar to our findings in equilibrium that show a distinct behavior between half-integer and integer link spin lengths, we find that criticality emerging in the Loschmidt return rate is fundamentally different between half-integer and integer spin quantum link models in the regime of strong electric-field coupling. Our results further affirm that state-of-the-art finite-size ultracold-atom and NISQ-device implementations of quantum link lattice gauge theories have the real potential to simulate their quantum field theory limit even in the far-from-equilibrium regime.

  • 5 authors
·
Dec 8, 2021

Simulating 2+1D Lattice Quantum Electrodynamics at Finite Density with Neural Flow Wavefunctions

We present a neural flow wavefunction, Gauge-Fermion FlowNet, and use it to simulate 2+1D lattice compact quantum electrodynamics with finite density dynamical fermions. The gauge field is represented by a neural network which parameterizes a discretized flow-based transformation of the amplitude while the fermionic sign structure is represented by a neural net backflow. This approach directly represents the U(1) degree of freedom without any truncation, obeys Guass's law by construction, samples autoregressively avoiding any equilibration time, and variationally simulates Gauge-Fermion systems with sign problems accurately. In this model, we investigate confinement and string breaking phenomena in different fermion density and hopping regimes. We study the phase transition from the charge crystal phase to the vacuum phase at zero density, and observe the phase seperation and the net charge penetration blocking effect under magnetic interaction at finite density. In addition, we investigate a magnetic phase transition due to the competition effect between the kinetic energy of fermions and the magnetic energy of the gauge field. With our method, we further note potential differences on the order of the phase transitions between a continuous U(1) system and one with finite truncation. Our state-of-the-art neural network approach opens up new possibilities to study different gauge theories coupled to dynamical matter in higher dimensions.

  • 4 authors
·
Dec 14, 2022

Understanding Quantum Technologies 2025

Understanding Quantum Technologies 2025 is the 8th update of a free open science ebook that provides a 360 degrees overview of quantum technologies from science and technology to geopolitical and societal issues. It covers quantum physics history, quantum physics 101, gate-based quantum computing, quantum computing engineering (including quantum error corrections, quantum computing energetics and a new subsection of the effects of the Lieb-Robinson limit), quantum computing hardware (all qubit types, including quantum annealing and quantum simulation paradigms, history, science, research, implementation and vendors scientific and engineering approaches and roadmaps), quantum enabling technologies (cryogenics, control electronics, photonics, components fabs and manufacturing process, raw materials), unconventional computing (potential alternatives to quantum and classical computing), quantum computing algorithms, software development tools, resource estimate and benchmark tools, use case and case studies analysis methodologies, application use cases per market, quantum communications and cryptography (including QKD, PQC and QPU interconnect technologies), quantum sensing, quantum technologies around the world, quantum technologies societal impact and even quantum fake sciences. The main audience are computer science engineers, developers and IT specialists as well as quantum scientists and students who want to acquire a global view of how quantum technologies work, and particularly quantum computing. This version is an update to the 2024, 2023, 2022, and 2021 editions published respectively in October 2024, 2023, 2022 and 2021. An update log is provided at the end of the book.

  • 1 authors
·
Nov 24, 2021

A new quantum hydrodynamic description of ferroelectricity in spiral magnets

The strong coupling between magnetism and ferroelectricity was found in rare earth manganites, where the electric polarization could be induced by special magnetic ordering. There is no theoretical model that would allow us to study the static and dynamic properties of electric polarization in strongly correlated magnetic dielectrics. In the presented research, we have taken the main step towards the construction of such a fundamental model, and made a direct connection between the microscopic Katsura-Nagaosa-Balatsky theory and Mostovoy's phenomenological model for magnetically induced polarization. A novel description of the ferroelectricity of spin origin is proposed within the framework of the many-particle quantum hydrodynamics method. It is applied to the study of cells of magnetic ions, where the electric dipole moment is proportional to the vector product of spins. Our approach is based on the many-particle Pauli equation, where the influence of an external magnetic field is considered. We define the electric dipole moment operator of the ion cell and introduce the macroscopic polarization as the quantum mechanical average of that operator. We formulate a model for the description of nonequilibrium polarization and derive a new polarization evolution equation. The polarization switching in ferroelectric magnets with the spiral spin-density-wave state is considered, and we demonstrate that the proposed model yields known results and can predict novel effects. The dynamic magnetoelectric effect can be investigated by employing this novel equation to study the evolution of polarization.

  • 3 authors
·
Nov 6, 2023

Breaking the Shot-Noise Barrier: Cached Recycled Variance-Reduced Gradients for Quantum Optimization

Variational Quantum Algorithms (VQAs) rely heavily on classical optimization routines to navigate high-dimensional, noisy parameter landscapes. However, the evaluation of analytical gradients via the parameter-shift rule requires O(p) circuit executions, rendering this approach computationally prohibitive for deep circuits. While simultaneous perturbation methods provide an O(1) alternative, their gradient estimates suffer from severe O(p) spatial variance, which impedes convergence. To resolve this tension, we introduce the Cached Recycled Variance-Reduced Gradient (CRVG) by leveraging variance reduction techniques. We formulate two variants: a 3-Circuit (1-Sided) Non-Recursive CRVG and a Recursive CRVG. By introducing a center-point caching mechanism, the 3-Circuit CRVG mathematically recycles quantum measurements to reduce the inner-loop circuit complexity by 25\% across both variants. We establish a theoretical separation between the two routing paths to achieve an ε^2-stationary point: the non-recursive variant reaches a sample complexity of O(max{p/ε^2, p^{2/3}/ε^{10/3}}), while the recursive variant achieves an improved complexity of O(max{p/ε^2, p/ε^3}). Empirically, extensive evaluations on MaxCut and Maximum Independent Set (MIS) benchmarks validate these findings. While standard simultaneous perturbation remains a robust baseline across varying depths, CRVG demonstrates targeted advantages in specific amortizable regimes, such as the non-recursive variant on EfficientSU2 circuits and both variants on depth-three QAOA, yielding superior energy minimums and tighter output variances. Ultimately, CRVG establishes a principled bias-throughput trade-off for scaling near-term quantum optimization.

  • 3 authors
·
Sep 29

Auger Spectroscopy via Generative Quantum Eigensolver: A Quantum Approach to Molecular Excitations

Auger electron spectroscopy, a way of characterizing electronic structure through core-level decay processes, is widely used in materials characterization; however direct calculation from molecular geometry requires accurate treatment of many excited states, posing a challenge for classical methods. We present a hybrid quantum-classical workflow for calculating Auger spectra that combines the generative quantum eigensolver (GQE) for ground-state preparation, the quantum self-consistent equation-of-motion method for excited-state calculations, and the one-centre approximation for Auger transition rates. GQE uses a GPT-2 model to generate quantum circuits for ground-state optimization, allowing our workflow to benefit from HPC parallelization and GPU-acceleration for favourable scaling with system size. We demonstrate the validity of our workflow by calculating the Auger spectrum of water with the STO-3G basis set and demonstrating qualitative and quantitative agreement with spectra obtained using completely classical full configuration interaction calculations, from the computational literature, and from the experimental literature. We also find that for water, substituting the variational quantum eigensolver (VQE) for GQE results in near-identical spectra, but that the ground state estimator generated by GQE contains about half the total gate count as that generated by VQE.

  • 19 authors
·
Mar 13

Minimal evolution times for fast, pulse-based state preparation in silicon spin qubits

Standing as one of the most significant barriers to reaching quantum advantage, state-preparation fidelities on noisy intermediate-scale quantum processors suffer from quantum-gate errors, which accumulate over time. A potential remedy is pulse-based state preparation. We numerically investigate the minimal evolution times (METs) attainable by optimizing (microwave and exchange) pulses on silicon hardware. We investigate two state preparation tasks. First, we consider the preparation of molecular ground states and find the METs for H_2, HeH^+, and LiH to be 2.4 ns, 4.4 ns, and 27.2 ns, respectively. Second, we consider transitions between arbitrary states and find the METs for transitions between arbitrary four-qubit states to be below 50 ns. For comparison, connecting arbitrary two-qubit states via one- and two-qubit gates on the same silicon processor requires approximately 200 ns. This comparison indicates that pulse-based state preparation is likely to utilize the coherence times of silicon hardware more efficiently than gate-based state preparation. Finally, we quantify the effect of silicon device parameters on the MET. We show that increasing the maximal exchange amplitude from 10 MHz to 1 GHz accelerates the METs, e.g., for H_2 from 84.3 ns to 2.4 ns. This demonstrates the importance of fast exchange. We also show that increasing the maximal amplitude of the microwave drive from 884 kHz to 56.6 MHz shortens state transitions, e.g., for two-qubit states from 1000 ns to 25 ns. Our results bound both the state-preparation times for general quantum algorithms and the execution times of variational quantum algorithms with silicon spin qubits.

  • 8 authors
·
Jun 16, 2024

Deep Neuromorphic Networks with Superconducting Single Flux Quanta

Conventional semiconductor-based integrated circuits are gradually approaching fundamental scaling limits. Many prospective solutions have recently emerged to supplement or replace both the technology on which basic devices are built and the architecture of data processing. Neuromorphic circuits are a promising approach to computing where techniques used by the brain to achieve high efficiency are exploited. Many existing neuromorphic circuits rely on unconventional and useful properties of novel technologies to better mimic the operation of the brain. One such technology is single flux quantum (SFQ) logic -- a cryogenic superconductive technology in which the data are represented by quanta of magnetic flux (fluxons) produced and processed by Josephson junctions embedded within inductive loops. The movement of a fluxon within a circuit produces a quantized voltage pulse (SFQ pulse), resembling a neuronal spiking event. These circuits routinely operate at clock frequencies of tens to hundreds of gigahertz, making SFQ a natural technology for processing high frequency pulse trains. Prior proposals for SFQ neural networks often require energy-expensive fluxon conversions, involve heterogeneous technologies, or exclusively focus on device level behavior. In this paper, a design methodology for deep single flux quantum neuromorphic networks is presented. Synaptic and neuronal circuits based on SFQ technology are presented and characterized. Based on these primitives, a deep neuromorphic XOR network is evaluated as a case study, both at the architectural and circuit levels, achieving wide classification margins. The proposed methodology does not employ unconventional superconductive devices or semiconductor transistors. The resulting networks are tunable by an external current, making this proposed system an effective approach for scalable cryogenic neuromorphic computing.

  • 4 authors
·
Sep 21, 2023

Multiple-basis representation of quantum states

Classical simulation of quantum physics is a central approach to investigating physical phenomena. Quantum computers enhance computational capabilities beyond those of classical resources, but it remains unclear to what extent existing limited quantum computers can contribute to this enhancement. In this work, we explore a new hybrid, efficient quantum-classical representation of quantum states, the multiple-basis representation. This representation consists of a linear combination of states that are sparse in some given and different bases, specified by quantum circuits. Such representation is particularly appealing when considering depth-limited quantum circuits within reach of current hardware. We analyze the expressivity of multiple-basis representation states depending on the classical simulability of their quantum circuits. In particular, we show that multiple-basis representation states include, but are not restricted to, both matrix-product states and stabilizer states. Furthermore, we find cases in which this representation can be used, namely approximation of ground states, simulation of deeper computations by specifying bases with shallow circuits, and a tomographical protocol to describe states as multiple-basis representations. We envision this work to open the path of simultaneous use of several hardware-friendly bases, a natural description of hybrid computational methods accessible for near-term hardware.

  • 4 authors
·
Jan 26, 2025

Measuring Casimir Force Across a Superconducting Transition

The Casimir effect and superconductivity are foundational quantum phenomena whose interaction remains an open question in physics. How Casimir forces behave across a superconducting transition remains unresolved, owing to the experimental difficulty of achieving alignment, cryogenic environments, and isolating small changes from competing effects. This question carries implications for electron physics, quantum gravity, and high-temperature superconductivity. Here we demonstrate an on-chip superconducting platform that overcomes these challenges, achieving one of the most parallel Casimir configurations to date. Our microchip-based cavities achieve unprecedented area-to-separation ratio between plates, exceeding previous Casimir experiments by orders of magnitude and generating the strongest Casimir forces yet between compliant surfaces. Scanning tunneling microscopy (STM) is used for the first time to directly detect the resonant motion of a suspended membrane, with subatomic precision in both lateral positioning and displacement. Such precision measurements across a superconducting transition allow for the suppression of all van der Waals, electrostatic, and thermal effects. Preliminary measurements suggest superconductivity-dependent shifts in the Casimir force, motivating further investigation and comparison with theories. By uniting extreme parallelism, nanomechanics, and STM readout, our platform opens a new experimental frontier at the intersection of Casimir physics and superconductivity.

  • 7 authors
·
Apr 14, 2025

Spectroscopic measurements and models of energy deposition in the substrate of quantum circuits by natural ionizing radiation

Naturally occurring background radiation is a source of correlated decoherence events in superconducting qubits that will challenge error-correction schemes. To characterize the radiation environment in an unshielded laboratory, we performed broadband, spectroscopic measurements of background events in silicon substrates located inside a millikelvin refrigerator, an environment representative of superconducting qubit systems. We measured the background spectra in silicon substrates of two thicknesses, 0.5 mm and 1.5 mm, and obtained the average event rate and the integrated power deposition. In a 25 mm^2 area and the thinner substrate, these values are 0.023 events per second and 4.9 keV/s, counting events that deposit at least 40 keV. We find the background spectrum to be nearly featureless. Its intensity decreases by a factor of 40,000 between 100 keV and 3 MeV for silicon substrates 0.5 mm thick. We find the cryogenic measurements to be in good agreement with predictions based on measurements of the terrestrial gamma-ray flux, published models of cosmic-ray fluxes, a crude model of the cryostat, and radiation-transport simulations. No free parameters are required to predict the background spectra in the silicon substrates. The good agreement between measurements and predictions allow assessment of the relative contributions of terrestrial and cosmic background sources and their dependence on substrate thickness. Our spectroscopic measurements are performed with superconducting microresonators that transduce deposited energy to a readily detectable electrical signal. We find that gamma-ray emissions from radioisotopes are responsible for the majority of events depositing E<1.5 MeV, while nucleons among the cosmic-ray secondary particles cause most events that deposit more energy. These results suggest several paths to reducing the impact of background radiation on quantum circuits.

  • 19 authors
·
Oct 10, 2024

Experimental quantum adversarial learning with programmable superconducting qubits

Quantum computing promises to enhance machine learning and artificial intelligence. Different quantum algorithms have been proposed to improve a wide spectrum of machine learning tasks. Yet, recent theoretical works show that, similar to traditional classifiers based on deep classical neural networks, quantum classifiers would suffer from the vulnerability problem: adding tiny carefully-crafted perturbations to the legitimate original data samples would facilitate incorrect predictions at a notably high confidence level. This will pose serious problems for future quantum machine learning applications in safety and security-critical scenarios. Here, we report the first experimental demonstration of quantum adversarial learning with programmable superconducting qubits. We train quantum classifiers, which are built upon variational quantum circuits consisting of ten transmon qubits featuring average lifetimes of 150 mus, and average fidelities of simultaneous single- and two-qubit gates above 99.94% and 99.4% respectively, with both real-life images (e.g., medical magnetic resonance imaging scans) and quantum data. We demonstrate that these well-trained classifiers (with testing accuracy up to 99%) can be practically deceived by small adversarial perturbations, whereas an adversarial training process would significantly enhance their robustness to such perturbations. Our results reveal experimentally a crucial vulnerability aspect of quantum learning systems under adversarial scenarios and demonstrate an effective defense strategy against adversarial attacks, which provide a valuable guide for quantum artificial intelligence applications with both near-term and future quantum devices.

  • 24 authors
·
Apr 4, 2022