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SubscribeAutoregressive Transformer Neural Network for Simulating Open Quantum Systems via a Probabilistic Formulation
The theory of open quantum systems lays the foundations for a substantial part of modern research in quantum science and engineering. Rooted in the dimensionality of their extended Hilbert spaces, the high computational complexity of simulating open quantum systems calls for the development of strategies to approximate their dynamics. In this paper, we present an approach for tackling open quantum system dynamics. Using an exact probabilistic formulation of quantum physics based on positive operator-valued measure (POVM), we compactly represent quantum states with autoregressive transformer neural networks; such networks bring significant algorithmic flexibility due to efficient exact sampling and tractable density. We further introduce the concept of String States to partially restore the symmetry of the autoregressive transformer neural network and improve the description of local correlations. Efficient algorithms have been developed to simulate the dynamics of the Liouvillian superoperator using a forward-backward trapezoid method and find the steady state via a variational formulation. Our approach is benchmarked on prototypical one and two-dimensional systems, finding results which closely track the exact solution and achieve higher accuracy than alternative approaches based on using Markov chain Monte Carlo to sample restricted Boltzmann machines. Our work provides general methods for understanding quantum dynamics in various contexts, as well as techniques for solving high-dimensional probabilistic differential equations in classical setups.
Single-shot Quantum Signal Processing Interferometry
Quantum systems of infinite dimension, such as bosonic oscillators, provide vast resources for quantum sensing. Yet, a general theory on how to manipulate such bosonic modes for sensing beyond parameter estimation is unknown. We present a general algorithmic framework, quantum signal processing interferometry (QSPI), for quantum sensing at the fundamental limits of quantum mechanics by generalizing Ramsey-type interferometry. Our QSPI sensing protocol relies on performing nonlinear polynomial transformations on the oscillator's quadrature operators by generalizing quantum signal processing (QSP) from qubits to hybrid qubit-oscillator systems. We use our QSPI sensing framework to make efficient binary decisions on a displacement channel in the single-shot limit. Theoretical analysis suggests the sensing accuracy, given a single-shot qubit measurement, scales inversely with the sensing time or circuit depth of the algorithm. We further concatenate a series of such binary decisions to perform parameter estimation in a bit-by-bit fashion. Numerical simulations are performed to support these statements. Our QSPI protocol offers a unified framework for quantum sensing using continuous-variable bosonic systems beyond parameter estimation and establishes a promising avenue toward efficient and scalable quantum control and quantum sensing schemes beyond the NISQ era.
QuXAI: Explainers for Hybrid Quantum Machine Learning Models
The emergence of hybrid quantum-classical machine learning (HQML) models opens new horizons of computational intelligence but their fundamental complexity frequently leads to black box behavior that undermines transparency and reliability in their application. Although XAI for quantum systems still in its infancy, a major research gap is evident in robust global and local explainability approaches that are designed for HQML architectures that employ quantized feature encoding followed by classical learning. The gap is the focus of this work, which introduces QuXAI, an framework based upon Q-MEDLEY, an explainer for explaining feature importance in these hybrid systems. Our model entails the creation of HQML models incorporating quantum feature maps, the use of Q-MEDLEY, which combines feature based inferences, preserving the quantum transformation stage and visualizing the resulting attributions. Our result shows that Q-MEDLEY delineates influential classical aspects in HQML models, as well as separates their noise, and competes well against established XAI techniques in classical validation settings. Ablation studies more significantly expose the virtues of the composite structure used in Q-MEDLEY. The implications of this work are critically important, as it provides a route to improve the interpretability and reliability of HQML models, thus promoting greater confidence and being able to engage in safer and more responsible use of quantum-enhanced AI technology.
Experimental Estimation of Quantum State Properties from Classical Shadows
Full quantum tomography of high-dimensional quantum systems is experimentally infeasible due to the exponential scaling of the number of required measurements on the number of qubits in the system. However, several ideas were proposed recently for predicting the limited number of features for these states, or estimating the expectation values of operators, without the need for full state reconstruction. These ideas go under the general name of shadow tomography. Here we provide an experimental demonstration of property estimation based on classical shadows proposed in [H.-Y. Huang, R. Kueng, J. Preskill. Nat. Phys. https://doi.org/10.1038/s41567-020-0932-7 (2020)] and study its performance in the quantum optical experiment with high-dimensional spatial states of photons. We show on experimental data how this procedure outperforms conventional state reconstruction in fidelity estimation from a limited number of measurements.
Introducing Quantum Computing into Statistical Physics: Random Walks and the Ising Model with Qiskit
Quantum computing offers a powerful new perspective on probabilistic and collective behaviors traditionally taught in statistical physics. This paper presents two classroom-ready modules that integrate quantum computing into the undergraduate curriculum using Qiskit: the quantum random walk and the Ising model. Both modules allow students to simulate and contrast classical and quantum systems, deepening their understanding of concepts such as superposition, interference, and statistical distributions. We outline the quantum circuits involved, provide sample code and student activities, and discuss how each example can be used to enhance student engagement with statistical physics. These modules are suitable for integration into courses in statistical mechanics, modern physics, or as part of an introductory unit on quantum computing.
Quantum Hamiltonian Embedding of Images for Data Reuploading Classifiers
When applying quantum computing to machine learning tasks, one of the first considerations is the design of the quantum machine learning model itself. Conventionally, the design of quantum machine learning algorithms relies on the ``quantisation" of classical learning algorithms, such as using quantum linear algebra to implement important subroutines of classical algorithms, if not the entire algorithm, seeking to achieve quantum advantage through possible run-time accelerations brought by quantum computing. However, recent research has started questioning whether quantum advantage via speedup is the right goal for quantum machine learning [1]. Research also has been undertaken to exploit properties that are unique to quantum systems, such as quantum contextuality, to better design quantum machine learning models [2]. In this paper, we take an alternative approach by incorporating the heuristics and empirical evidences from the design of classical deep learning algorithms to the design of quantum neural networks. We first construct a model based on the data reuploading circuit [3] with the quantum Hamiltonian data embedding unitary [4]. Through numerical experiments on images datasets, including the famous MNIST and FashionMNIST datasets, we demonstrate that our model outperforms the quantum convolutional neural network (QCNN)[5] by a large margin (up to over 40% on MNIST test set). Based on the model design process and numerical results, we then laid out six principles for designing quantum machine learning models, especially quantum neural networks.
Error Correction of Quantum Algorithms: Arbitrarily Accurate Recovery Of Noisy Quantum Signal Processing
The intrinsic probabilistic nature of quantum systems makes error correction or mitigation indispensable for quantum computation. While current error-correcting strategies focus on correcting errors in quantum states or quantum gates, these fine-grained error-correction methods can incur significant overhead for quantum algorithms of increasing complexity. We present a first step in achieving error correction at the level of quantum algorithms by combining a unified perspective on modern quantum algorithms via quantum signal processing (QSP). An error model of under- or over-rotation of the signal processing operator parameterized by epsilon < 1 is introduced. It is shown that while Pauli Z-errors are not recoverable without additional resources, Pauli X and Y errors can be arbitrarily suppressed by coherently appending a noisy `recovery QSP.' Furthermore, it is found that a recovery QSP of length O(2^k c^{k^2} d) is sufficient to correct any length-d QSP with c unique phases to k^{th}-order in error epsilon. Allowing an additional assumption, a lower bound of Omega(cd) is shown, which is tight for k = 1, on the length of the recovery sequence. Our algorithmic-level error correction method is applied to Grover's fixed-point search algorithm as a demonstration.
A unified diagrammatic approach to quantum transport in few-level junctions for bosonic and fermionic reservoirs: Application to the quantum Rabi model
We apply the Nakajima-Zwanzig approach to open quantum systems to study steady-state transport across generic multi-level junctions coupled to bosonic or fermionic reservoirs. The method allows for a unified diagrammatic formulation in Liouville space, with diagrams being classified according to an expansion in the coupling strength between the reservoirs and the junction. Analytical, approximate expressions are provided up to fourth order for the steady-state boson transport that generalize to multi-level systems the known results for the low-temperature thermal conductance in the spin-boson model. The formalism is applied to the problem of heat transport in a qubit-resonator junction modeled by the quantum Rabi model. Nontrivial transport features emerge as a result of the interplay between the qubit-oscillator detuning and coupling strength. For quasi-degenerate spectra, nonvanishing steady-state coherences cause a suppression of the thermal conductance.
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.
Learning Distributions over Quantum Measurement Outcomes
Shadow tomography for quantum states provides a sample efficient approach for predicting the properties of quantum systems when the properties are restricted to expectation values of 2-outcome POVMs. However, these shadow tomography procedures yield poor bounds if there are more than 2 outcomes per measurement. In this paper, we consider a general problem of learning properties from unknown quantum states: given an unknown d-dimensional quantum state rho and M unknown quantum measurements M_1,...,M_M with Kgeq 2 outcomes, estimating the probability distribution for applying M_i on rho to within total variation distance epsilon. Compared to the special case when K=2, we need to learn unknown distributions instead of values. We develop an online shadow tomography procedure that solves this problem with high success probability requiring O(Klog^2Mlog d/epsilon^4) copies of rho. We further prove an information-theoretic lower bound that at least Omega(min{d^2,K+log M}/epsilon^2) copies of rho are required to solve this problem with high success probability. Our shadow tomography procedure requires sample complexity with only logarithmic dependence on M and d and is sample-optimal for the dependence on K.
Leap into the future: shortcut to dynamics for quantum mixtures
The study of the long-time dynamics of quantum systems can be a real challenge, especially in systems like ultracold gases, where the required timescales may be longer than the lifetime of the system itself. In this work, we show that it is possible to access the long-time dynamics of a strongly repulsive atomic gas mixture in shorter times. The shortcut-to-dynamics protocol that we propose does not modify the fate of the observables, but effectively jumps ahead in time without changing the system's inherent evolution. Just like the next-chapter button in a movie player that allows to quickly reach the part of the movie one wants to watch, it is a leap into the future.
Random Quantum Circuits
Quantum circuits -- built from local unitary gates and local measurements -- are a new playground for quantum many-body physics and a tractable setting to explore universal collective phenomena far-from-equilibrium. These models have shed light on longstanding questions about thermalization and chaos, and on the underlying universal dynamics of quantum information and entanglement. In addition, such models generate new sets of questions and give rise to phenomena with no traditional analog, such as new dynamical phases in quantum systems that are monitored by an external observer. Quantum circuit dynamics is also topical in view of experimental progress in building digital quantum simulators that allow control of precisely these ingredients. Randomness in the circuit elements allows a high level of theoretical control, with a key theme being mappings between real-time quantum dynamics and effective classical lattice models or dynamical processes. Many of the universal phenomena that can be identified in this tractable setting apply to much wider classes of more structured many-body dynamics.
Predicting Many Properties of a Quantum System from Very Few Measurements
Predicting properties of complex, large-scale quantum systems is essential for developing quantum technologies. We present an efficient method for constructing an approximate classical description of a quantum state using very few measurements of the state. This description, called a classical shadow, can be used to predict many different properties: order log M measurements suffice to accurately predict M different functions of the state with high success probability. The number of measurements is independent of the system size, and saturates information-theoretic lower bounds. Moreover, target properties to predict can be selected after the measurements are completed. We support our theoretical findings with extensive numerical experiments. We apply classical shadows to predict quantum fidelities, entanglement entropies, two-point correlation functions, expectation values of local observables, and the energy variance of many-body local Hamiltonians. The numerical results highlight the advantages of classical shadows relative to previously known methods.
The role of quantum information in thermodynamics --- a topical review
This topical review article gives an overview of the interplay between quantum information theory and thermodynamics of quantum systems. We focus on several trending topics including the foundations of statistical mechanics, resource theories, entanglement in thermodynamic settings, fluctuation theorems and thermal machines. This is not a comprehensive review of the diverse field of quantum thermodynamics; rather, it is a convenient entry point for the thermo-curious information theorist. Furthermore this review should facilitate the unification and understanding of different interdisciplinary approaches emerging in research groups around the world.
Physics-Informed Neural Networks for One-Dimensional Quantum Well Problems
We implement physics-informed neural networks (PINNs) to solve the time-independent Schr\"odinger equation for three canonical one-dimensional quantum potentials: an infinite square well, a finite square well, and a finite barrier. The PINN models incorporate trial wavefunctions that exactly satisfy boundary conditions (Dirichlet zeros at domain boundaries), and they optimize a loss functional combining the PDE residual with a normalization constraint. For the infinite well, the ground-state energy is known (E = pi^2 in dimensionless units) and held fixed in training, whereas for the finite well and barrier, the eigenenergy is treated as a trainable parameter. We use fully-connected neural networks with smooth activation functions to represent the wavefunction and demonstrate that PINNs can learn the ground-state eigenfunctions and eigenvalues for these quantum systems. The results show that the PINN-predicted wavefunctions closely match analytical solutions or expected behaviors, and the learned eigenenergies converge to known values. We present training logs and convergence of the energy parameter, as well as figures comparing the PINN solutions to exact results. The discussion addresses the performance of PINNs relative to traditional numerical methods, highlighting challenges such as convergence to the correct eigenvalue, sensitivity to initialization, and the difficulty of modeling discontinuous potentials. We also discuss the importance of the normalization term to resolve the scaling ambiguity of the wavefunction. Finally, we conclude that PINNs are a viable approach for quantum eigenvalue problems, and we outline future directions including extensions to higher-dimensional and time-dependent Schr\"odinger equations.
Leggett-Garg inequalities cannot be violated in quantum measurements
Leggett and Garg derived inequalities that probe the boundaries of classical and quantum physics by putting limits on the properties that classical objects can have. Historically, it has been suggested that Leggett-Garg inequalities are easily violated by quantum systems undergoing sequences of strong measurements, casting doubt on whether quantum mechanics correctly describes macroscopic objects. Here I show that Leggett-Garg inequalities cannot be violated by any projective measurement. The perceived violation of the inequalities found previously can be traced back to an inappropriate assumption of non-invasive measurability. Surprisingly, weak projective measurements cannot violate the Leggett-Garg inequalities either because even though the quantum system itself is not fully projected via weak measurements, the measurement devices are.
Review of Distributed Quantum Computing. From single QPU to High Performance Quantum Computing
The emerging field of quantum computing has shown it might change how we process information by using the unique principles of quantum mechanics. As researchers continue to push the boundaries of quantum technologies to unprecedented levels, distributed quantum computing raises as an obvious path to explore with the aim of boosting the computational power of current quantum systems. This paper presents a comprehensive survey of the current state of the art in the distributed quantum computing field, exploring its foundational principles, landscape of achievements, challenges, and promising directions for further research. From quantum communication protocols to entanglement-based distributed algorithms, each aspect contributes to the mosaic of distributed quantum computing, making it an attractive approach to address the limitations of classical computing. Our objective is to provide an exhaustive overview for experienced researchers and field newcomers.
Category Theory for Quantum Natural Language Processing
This thesis introduces quantum natural language processing (QNLP) models based on a simple yet powerful analogy between computational linguistics and quantum mechanics: grammar as entanglement. The grammatical structure of text and sentences connects the meaning of words in the same way that entanglement structure connects the states of quantum systems. Category theory allows to make this language-to-qubit analogy formal: it is a monoidal functor from grammar to vector spaces. We turn this abstract analogy into a concrete algorithm that translates the grammatical structure onto the architecture of parameterised quantum circuits. We then use a hybrid classical-quantum algorithm to train the model so that evaluating the circuits computes the meaning of sentences in data-driven tasks. The implementation of QNLP models motivated the development of DisCoPy (Distributional Compositional Python), the toolkit for applied category theory of which the first chapter gives a comprehensive overview. String diagrams are the core data structure of DisCoPy, they allow to reason about computation at a high level of abstraction. We show how they can encode both grammatical structures and quantum circuits, but also logical formulae, neural networks or arbitrary Python code. Monoidal functors allow to translate these abstract diagrams into concrete computation, interfacing with optimised task-specific libraries. The second chapter uses DisCopy to implement QNLP models as parameterised functors from grammar to quantum circuits. It gives a first proof-of-concept for the more general concept of functorial learning: generalising machine learning from functions to functors by learning from diagram-like data. In order to learn optimal functor parameters via gradient descent, we introduce the notion of diagrammatic differentiation: a graphical calculus for computing the gradients of parameterised diagrams.
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.
Generic Two-Mode Gaussian States as Quantum Sensors
Gaussian quantum channels constitute a cornerstone of continuous-variable quantum information science, underpinning a wide array of protocols in quantum optics and quantum metrology. While the action of such channels on arbitrary states is well-characterized under full channel knowledge, we address the inverse problem, namely, the precise estimation of fundamental channel parameters, including the beam splitter transmissivity and the two-mode squeezing amplitude. Employing the quantum Fisher information (QFI) as a benchmark for metrological sensitivity, we demonstrate that the symmetry inherent in mode mixing critically governs the amplification of QFI, thereby enabling high-precision parameter estimation. In addition, we investigate quantum thermometry by estimating the average photon number of thermal states, revealing that the transmissivity parameter significantly modulates estimation precision. Our results underscore the metrological utility of two-mode Gaussian states and establish a robust framework for parameter inference in noisy and dynamically evolving quantum systems.
Ground State Preparation via Dynamical Cooling
Quantum algorithms for probing ground-state properties of quantum systems require good initial states. Projection-based methods such as eigenvalue filtering rely on inputs that have a significant overlap with the low-energy subspace, which can be challenging for large, strongly-correlated systems. This issue has motivated the study of physically-inspired dynamical approaches such as thermodynamic cooling. In this work, we introduce a ground-state preparation algorithm based on the simulation of quantum dynamics. Our main insight is to transform the Hamiltonian by a shifted sign function via quantum signal processing, effectively mapping eigenvalues into positive and negative subspaces separated by a large gap. This automatically ensures that all states within each subspace conserve energy with respect to the transformed Hamiltonian. Subsequent time-evolution with a perturbed Hamiltonian induces transitions to lower-energy states while preventing unwanted jumps to higher energy states. The approach does not rely on a priori knowledge of energy gaps and requires no additional qubits to model a bath. Furthermore, it makes mathcal{O}(d^{,3/2}/epsilon) queries to the time-evolution operator of the system and mathcal{O}(d^{,3/2}) queries to a block-encoding of the perturbation, for d cooling steps and an epsilon-accurate energy resolution. Our results provide a framework for combining quantum signal processing and Hamiltonian simulation to design heuristic quantum algorithms for ground-state preparation.
Tutorial: Remote entanglement protocols for stationary qubits with photonic interfaces
Generating entanglement between distant quantum systems is at the core of quantum networking. In recent years, numerous theoretical protocols for remote entanglement generation have been proposed, of which many have been experimentally realized. Here, we provide a modular theoretical framework to elucidate the general mechanisms of photon-mediated entanglement generation between single spins in atomic or solid-state systems. Our framework categorizes existing protocols at various levels of abstraction and allows for combining the elements of different schemes in new ways. These abstraction layers make it possible to readily compare protocols for different quantum hardware. To enable the practical evaluation of protocols tailored to specific experimental parameters, we have devised numerical simulations based on the framework with our codes available online.
The probabilistic world
Physics is based on probabilities as fundamental entities of a mathematical description. Expectation values of observables are computed according to the classical statistical rule. The overall probability distribution for one world covers all times. The quantum formalism arises once one focuses on the evolution of the time-local probabilistic information. Wave functions or the density matrix allow the formulation of a general linear evolution law for classical statistics. The quantum formalism for classical statistics is a powerful tool which allows us to implement for generalized Ising models the momentum observable with the associated Fourier representation. The association of operators to observables permits the computation of expectation values in terms of the density matrix by the usual quantum rule. We show that probabilistic cellular automata are quantum systems in a formulation with discrete time steps and real wave functions. With a complex structure the evolution operator for automata can be expressed in terms of a Hamiltonian involving fermionic creation and annihilation operators. The time-local probabilistic information amounts to a subsystem of the overall probabilistic system which is correlated with its environment consisting of the past and future. Such subsystems typically involve probabilistic observables for which only a probability distribution for their possible measurement values is available. Incomplete statistics does not permit to compute classical correlation functions for arbitrary subsystem-observables. Bell's inequalities are not generally applicable.
Observable Statistical Mechanics
Understanding equilibration and thermalization in isolated many-body quantum systems is a central challenge in quantum physics. The traditional approach focuses on the study of the full state of the quantum system which, at equilibrium, is best described by the Diagonal Ensemble. Here, we present Observable Statistical Mechanics, a novel paradigm that shifts attention from the full quantum state to the statistics of measurement outcomes. This approach is grounded in the Maximum Observable Entropy Principle, positing that equilibrium measurement statistics tend to maximize observable entropy under conserved average energy. By focusing on accessible measurements, the theory accurately predicts equilibrium probability distributions without needing detailed microscopic information like the energy eigenstates. Extensive numerical experiments on 7 spin-1/2 Hamiltonians demonstrate the broad applicability and robustness of this framework.
Algorithms for the Markov Entropy Decomposition
The Markov entropy decomposition (MED) is a recently-proposed, cluster-based simulation method for finite temperature quantum systems with arbitrary geometry. In this paper, we detail numerical algorithms for performing the required steps of the MED, principally solving a minimization problem with a preconditioned Newton's algorithm, as well as how to extract global susceptibilities and thermal responses. We demonstrate the power of the method with the spin-1/2 XXZ model on the 2D square lattice, including the extraction of critical points and details of each phase. Although the method shares some qualitative similarities with exact-diagonalization, we show the MED is both more accurate and significantly more flexible.
Equivariant Matrix Function Neural Networks
Graph Neural Networks (GNNs), especially message-passing neural networks (MPNNs), have emerged as powerful architectures for learning on graphs in diverse applications. However, MPNNs face challenges when modeling non-local interactions in graphs such as large conjugated molecules, and social networks due to oversmoothing and oversquashing. Although Spectral GNNs and traditional neural networks such as recurrent neural networks and transformers mitigate these challenges, they often lack generalizability, or fail to capture detailed structural relationships or symmetries in the data. To address these concerns, we introduce Matrix Function Neural Networks (MFNs), a novel architecture that parameterizes non-local interactions through analytic matrix equivariant functions. Employing resolvent expansions offers a straightforward implementation and the potential for linear scaling with system size. The MFN architecture achieves stateof-the-art performance in standard graph benchmarks, such as the ZINC and TU datasets, and is able to capture intricate non-local interactions in quantum systems, paving the way to new state-of-the-art force fields.
Action Matching: Learning Stochastic Dynamics from Samples
Learning the continuous dynamics of a system from snapshots of its temporal marginals is a problem which appears throughout natural sciences and machine learning, including in quantum systems, single-cell biological data, and generative modeling. In these settings, we assume access to cross-sectional samples that are uncorrelated over time, rather than full trajectories of samples. In order to better understand the systems under observation, we would like to learn a model of the underlying process that allows us to propagate samples in time and thereby simulate entire individual trajectories. In this work, we propose Action Matching, a method for learning a rich family of dynamics using only independent samples from its time evolution. We derive a tractable training objective, which does not rely on explicit assumptions about the underlying dynamics and does not require back-propagation through differential equations or optimal transport solvers. Inspired by connections with optimal transport, we derive extensions of Action Matching to learn stochastic differential equations and dynamics involving creation and destruction of probability mass. Finally, we showcase applications of Action Matching by achieving competitive performance in a diverse set of experiments from biology, physics, and generative modeling.
Information structures and their cohomology
We introduce the category of information structures, whose objects are suitable diagrams of measurable sets that encode the possible outputs of a given family of observables and their mutual relationships of refinement; they serve as mathematical models of contextuality in classical and quantum settings. Each information structure can be regarded as a ringed site with trivial topology; the structure ring is generated by the observables themselves and its multiplication corresponds to joint measurement. We extend Baudot and Bennequin's definition of information cohomology to this setting, as a derived functor in the category of modules over the structure ring, and show explicitly that the bar construction gives a projective resolution in that category, recovering in this way the cochain complexes previously considered in the literature. Finally, we study the particular case of a one-parameter family of coefficients made of functions of probability distributions. The only 1-cocycles are Shannon entropy or Tsallis alpha-entropy, depending on the value of the parameter.
Two-photon interference: the Hong-Ou-Mandel effect
Nearly 30 years ago, two-photon interference was observed, marking the beginning of a new quantum era. Indeed, two-photon interference has no classical analogue, giving it a distinct advantage for a range of applications. The peculiarities of quantum physics may now be used to our advantage to outperform classical computations, securely communicate information, simulate highly complex physical systems and increase the sensitivity of precise measurements. This separation from classical to quantum physics has motivated physicists to study two-particle interference for both fermionic and bosonic quantum objects. So far, two-particle interference has been observed with massive particles, among others, such as electrons and atoms, in addition to plasmons, demonstrating the extent of this effect to larger and more complex quantum systems. A wide array of novel applications to this quantum effect is to be expected in the future. This review will thus cover the progress and applications of two-photon (two-particle) interference over the last three decades.
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.
Taming Landau level mixing in fractional quantum Hall states with deep learning
Strong correlation brings a rich array of emergent phenomena, as well as a daunting challenge to theoretical physics study. In condensed matter physics, the fractional quantum Hall effect is a prominent example of strong correlation, with Landau level mixing being one of the most challenging aspects to address using traditional computational methods. Deep learning real-space neural network wavefunction methods have emerged as promising architectures to describe electron correlations in molecules and materials, but their power has not been fully tested for exotic quantum states. In this work, we employ real-space neural network wavefunction techniques to investigate fractional quantum Hall systems. On both 1/3 and 2/5 filling systems, we achieve energies consistently lower than exact diagonalization results which only consider the lowest Landau level. We also demonstrate that the real-space neural network wavefunction can naturally capture the extent of Landau level mixing up to a very high level, overcoming the limitations of traditional methods. Our work underscores the potential of neural networks for future studies of strongly correlated systems and opens new avenues for exploring the rich physics of the fractional quantum Hall effect.
Scaling silicon-based quantum computing using CMOS technology: State-of-the-art, Challenges and Perspectives
Complementary metal-oxide semiconductor (CMOS) technology has radically reshaped the world by taking humanity to the digital age. Cramming more transistors into the same physical space has enabled an exponential increase in computational performance, a strategy that has been recently hampered by the increasing complexity and cost of miniaturization. To continue achieving significant gains in computing performance, new computing paradigms, such as quantum computing, must be developed. However, finding the optimal physical system to process quantum information, and scale it up to the large number of qubits necessary to build a general-purpose quantum computer, remains a significant challenge. Recent breakthroughs in nanodevice engineering have shown that qubits can now be manufactured in a similar fashion to silicon field-effect transistors, opening an opportunity to leverage the know-how of the CMOS industry to address the scaling challenge. In this article, we focus on the analysis of the scaling prospects of quantum computing systems based on CMOS technology.
Designing a Quantum Network Protocol
The second quantum revolution brings with it the promise of a quantum internet. As the first quantum network hardware prototypes near completion new challenges emerge. A functional network is more than just the physical hardware, yet work on scalable quantum network systems is in its infancy. In this paper we present a quantum network protocol designed to enable end-to-end quantum communication in the face of the new fundamental and technical challenges brought by quantum mechanics. We develop a quantum data plane protocol that enables end-to-end quantum communication and can serve as a building block for more complex services. One of the key challenges in near-term quantum technology is decoherence -- the gradual decay of quantum information -- which imposes extremely stringent limits on storage times. Our protocol is designed to be efficient in the face of short quantum memory lifetimes. We demonstrate this using a simulator for quantum networks and show that the protocol is able to deliver its service even in the face of significant losses due to decoherence. Finally, we conclude by showing that the protocol remains functional on the extremely resource limited hardware that is being developed today underlining the timeliness of this work.
AdS/QHE: Towards a Holographic Description of Quantum Hall Experiments
Transitions among quantum Hall plateaux share a suite of remarkable experimental features, such as semi-circle laws and duality relations, whose accuracy and robustness are difficult to explain directly in terms of the detailed dynamics of the microscopic electrons. They would naturally follow if the low-energy transport properties were governed by an emergent discrete duality group relating the different plateaux, but no explicit examples of interacting systems having such a group are known. Recent progress using the AdS/CFT correspondence has identified examples with similar duality groups, but without the DC ohmic conductivity characteristic of quantum Hall experiments. We use this to propose a simple holographic model for low-energy quantum Hall systems, with a nonzero DC conductivity that automatically exhibits all of the observed consequences of duality, including the existence of the plateaux and the semi-circle transitions between them. The model can be regarded as a strongly coupled analog of the old `composite boson' picture of quantum Hall systems. Non-universal features of the model can be used to test whether it describes actual materials, and we comment on some of these in our proposed model.
A Grand Unification of Quantum Algorithms
Quantum algorithms offer significant speedups over their classical counterparts for a variety of problems. The strongest arguments for this advantage are borne by algorithms for quantum search, quantum phase estimation, and Hamiltonian simulation, which appear as subroutines for large families of composite quantum algorithms. A number of these quantum algorithms were recently tied together by a novel technique known as the quantum singular value transformation (QSVT), which enables one to perform a polynomial transformation of the singular values of a linear operator embedded in a unitary matrix. In the seminal GSLW'19 paper on QSVT [Gily\'en, Su, Low, and Wiebe, ACM STOC 2019], many algorithms are encompassed, including amplitude amplification, methods for the quantum linear systems problem, and quantum simulation. Here, we provide a pedagogical tutorial through these developments, first illustrating how quantum signal processing may be generalized to the quantum eigenvalue transform, from which QSVT naturally emerges. Paralleling GSLW'19, we then employ QSVT to construct intuitive quantum algorithms for search, phase estimation, and Hamiltonian simulation, and also showcase algorithms for the eigenvalue threshold problem and matrix inversion. This overview illustrates how QSVT is a single framework comprising the three major quantum algorithms, thus suggesting a grand unification of quantum algorithms.
NetSquid, a NETwork Simulator for QUantum Information using Discrete events
In order to bring quantum networks into the real world, we would like to determine the requirements of quantum network protocols including the underlying quantum hardware. Because detailed architecture proposals are generally too complex for mathematical analysis, it is natural to employ numerical simulation. Here we introduce NetSquid, the NETwork Simulator for QUantum Information using Discrete events, a discrete-event based platform for simulating all aspects of quantum networks and modular quantum computing systems, ranging from the physical layer and its control plane up to the application level. We study several use cases to showcase NetSquid's power, including detailed physical layer simulations of repeater chains based on nitrogen vacancy centres in diamond as well as atomic ensembles. We also study the control plane of a quantum switch beyond its analytically known regime, and showcase NetSquid's ability to investigate large networks by simulating entanglement distribution over a chain of up to one thousand nodes.
Single-shot thermometry of simulated Bose--Einstein condensates using artificial intelligence
Precise determination of thermodynamic parameters in ultracold Bose gases remains challenging due to the destructive nature of conventional measurement techniques and inherent experimental uncertainties. We demonstrate an artificial intelligence approach for rapid, non-destructive estimation of the chemical potential and temperature from single-shot, in situ imaged density profiles of finite-temperature Bose gases. Our convolutional neural network is trained exclusively on quasi-2D `pancake' condensates in harmonic trap configurations. It achieves parameter extraction within fractions of a second. The model also demonstrates zero-shot generalisation across both trap geometry and thermalisation dynamics, successfully estimating thermodynamic parameters for toroidally trapped condensates with errors of only a few nanokelvin despite no prior exposure to such geometries during training, and maintaining predictive accuracy during dynamic thermalisation processes after a relatively brief evolution without explicit training on non-equilibrium states. These results suggest that supervised learning can overcome traditional limitations in ultracold atom thermometry, with extension to broader geometric configurations, temperature ranges, and additional parameters potentially enabling comprehensive real-time analysis of quantum gas experiments. Such capabilities could significantly streamline experimental workflows whilst improving measurement precision across a range of quantum fluid systems.
Multiplexed quantum repeaters based on dual-species trapped-ion systems
Trapped ions form an advanced technology platform for quantum information processing with long qubit coherence times, high-fidelity quantum logic gates, optically active qubits, and a potential to scale up in size while preserving a high level of connectivity between qubits. These traits make them attractive not only for quantum computing but also for quantum networking. Dedicated, special-purpose trapped-ion processors in conjunction with suitable interconnecting hardware can be used to form quantum repeaters that enable high-rate quantum communications between distant trapped-ion quantum computers in a network. In this regard, hybrid traps with two distinct species of ions, where one ion species can generate ion-photon entanglement that is useful for optically interfacing with the network and the other has long memory lifetimes, useful for qubit storage, have been proposed for entanglement distribution. We consider an architecture for a repeater based on such dual-species trapped-ion systems. We propose and analyze a protocol based on spatial and temporal mode multiplexing for entanglement distribution across a line network of such repeaters. Our protocol offers enhanced rates compared to rates previously reported for such repeaters. We determine the ion resources required at the repeaters to attain the enhanced rates, and the best rates attainable when constraints are placed on the number of repeaters and the number of ions per repeater. Our results bolster the case for near-term trapped-ion systems as quantum repeaters for long-distance quantum communications.
Quantum Thermalization via Travelling Waves
Isolated quantum many-body systems which thermalize under their own dynamics are expected to act as their own thermal baths, thereby bringing their local subsystems to thermal equilibrium. Here we show that the infinite-dimensional limit of a quantum lattice model, as described by Dynamical Mean-Field theory (DMFT), provides a natural framework to understand this self-consistent thermalization process. Using the Fermi-Hubbard model as working example, we demonstrate that the emergence of a self-consistent bath thermalising the system is characterized by a sharp thermalization front, moving balistically and separating the initial condition from the long-time thermal fixed point. We characterize the full DMFT dynamics through an effective temperature for which we derive a travelling-wave equation of the Fisher-Kolmogorov-Petrovsky-Piskunov (FKPP) type. This equation allows to predict the asymptotic shape of the front and its velocity, which match perfectly the full DMFT numerics. Our results provide a new angle to understand the onset of quantum thermalisation in closed isolated systems.
Post-Quantum Cryptography: Securing Digital Communication in the Quantum Era
The advent of quantum computing poses a profound threat to traditional cryptographic systems, exposing vulnerabilities that compromise the security of digital communication channels reliant on RSA, ECC, and similar classical encryption methods. Quantum algorithms, notably Shor's algorithm, exploit the inherent computational power of quantum computers to efficiently solve mathematical problems underlying these cryptographic schemes. In response, post-quantum cryptography (PQC) emerged as a critical field aimed at developing resilient cryptographic algorithms impervious to quantum attacks. This paper delineates the vulnerabilities of classical cryptographic systems to quantum attacks, elucidates the principles of quantum computing, and introduces various PQC algorithms such as lattice-based cryptography, code-based cryptography, hash-based cryptography, and multivariate polynomial cryptography. Highlighting the importance of PQC in securing digital communication amidst quantum computing advancements, this research underscores its pivotal role in safeguarding data integrity, confidentiality, and authenticity in the face of emerging quantum threats.
Fusion-based quantum computation
We introduce fusion-based quantum computing (FBQC) - a model of universal quantum computation in which entangling measurements, called fusions, are performed on the qubits of small constant-sized entangled resource states. We introduce a stabilizer formalism for analyzing fault tolerance and computation in these schemes. This framework naturally captures the error structure that arises in certain physical systems for quantum computing, such as photonics. FBQC can offer significant architectural simplifications, enabling hardware made up of many identical modules, requiring an extremely low depth of operations on each physical qubit and reducing classical processing requirements. We present two pedagogical examples of fault-tolerant schemes constructed in this framework and numerically evaluate their threshold under a hardware agnostic fusion error model including both erasure and Pauli error. We also study an error model of linear optical quantum computing with probabilistic fusion and photon loss. In FBQC the non-determinism of fusion is directly dealt with by the quantum error correction protocol, along with other errors. We find that tailoring the fault-tolerance framework to the physical system allows the scheme to have a higher threshold than schemes reported in literature. We present a ballistic scheme which can tolerate a 10.4% probability of suffering photon loss in each fusion.
Improving thermal state preparation of Sachdev-Ye-Kitaev model with reinforcement learning on quantum hardware
The Sachdev-Ye-Kitaev (SYK) model, known for its strong quantum correlations and chaotic behavior, serves as a key platform for quantum gravity studies. However, variationally preparing thermal states on near-term quantum processors for large systems (N>12, where N is the number of Majorana fermions) presents a significant challenge due to the rapid growth in the complexity of parameterized quantum circuits. This paper addresses this challenge by integrating reinforcement learning (RL) with convolutional neural networks, employing an iterative approach to optimize the quantum circuit and its parameters. The refinement process is guided by a composite reward signal derived from entropy and the expectation values of the SYK Hamiltonian. This approach reduces the number of CNOT gates by two orders of magnitude for systems Ngeq12 compared to traditional methods like first-order Trotterization. We demonstrate the effectiveness of the RL framework in both noiseless and noisy quantum hardware environments, maintaining high accuracy in thermal state preparation. This work advances a scalable, RL-based framework with applications for quantum gravity studies and out-of-time-ordered thermal correlators computation in quantum many-body systems on near-term quantum hardware. The code is available at https://github.com/Aqasch/solving_SYK_model_with_RL.
Probing Off-diagonal Eigenstate Thermalization with Tensor Networks
Energy filter methods in combination with quantum simulation can efficiently access the properties of quantum many-body systems at finite energy densities [Lu et al. PRX Quantum 2, 020321 (2021)]. Classically simulating this algorithm with tensor networks can be used to investigate the microcanonical properties of large spin chains, as recently shown in [Yang et al. Phys. Rev. B 106, 024307 (2022)]. Here we extend this strategy to explore the properties of off-diagonal matrix elements of observables in the energy eigenbasis, fundamentally connected to the thermalization behavior and the eigenstate thermalization hypothesis. We test the method on integrable and non-integrable spin chains of up to 60 sites, much larger than accessible with exact diagonalization. Our results allow us to explore the scaling of the off-diagonal functions with the size and energy difference, and to establish quantitative differences between integrable and non-integrable cases.
Are queries and keys always relevant? A case study on Transformer wave functions
The dot product attention mechanism, originally designed for natural language processing tasks, is a cornerstone of modern Transformers. It adeptly captures semantic relationships between word pairs in sentences by computing a similarity overlap between queries and keys. In this work, we explore the suitability of Transformers, focusing on their attention mechanisms, in the specific domain of the parametrization of variational wave functions to approximate ground states of quantum many-body spin Hamiltonians. Specifically, we perform numerical simulations on the two-dimensional J_1-J_2 Heisenberg model, a common benchmark in the field of quantum many-body systems on lattice. By comparing the performance of standard attention mechanisms with a simplified version that excludes queries and keys, relying solely on positions, we achieve competitive results while reducing computational cost and parameter usage. Furthermore, through the analysis of the attention maps generated by standard attention mechanisms, we show that the attention weights become effectively input-independent at the end of the optimization. We support the numerical results with analytical calculations, providing physical insights of why queries and keys should be, in principle, omitted from the attention mechanism when studying large systems.
Scaling of free cumulants in closed system-bath setups
The Eigenstate Thermalization Hypothesis (ETH) has been established as a cornerstone for understanding thermalization in quantum many-body systems. Recently, there has been growing interest in the full ETH, which extends the framework of the conventional ETH and postulates a smooth function to describe the multi-point correlations among matrix elements. Within this framework, free cumulants play a central role, and most previous studies have primarily focused on closed systems. In this paper, we extend the analysis to a system-bath setup, considering both an idealized case with a random-matrix bath and a more realistic scenario where the bath is modeled as a defect Ising chain. In both cases, we uncover a universal scaling of microcanonical free cumulants of system observables with respect to the interaction strength. Furthermore we establish a connection between this scaling behavior and the thermalization dynamics of the thermal free cumulants of corresponding observables.
Quantum algorithm for solving linear systems of equations
Solving linear systems of equations is a common problem that arises both on its own and as a subroutine in more complex problems: given a matrix A and a vector b, find a vector x such that Ax=b. We consider the case where one doesn't need to know the solution x itself, but rather an approximation of the expectation value of some operator associated with x, e.g., x'Mx for some matrix M. In this case, when A is sparse, N by N and has condition number kappa, classical algorithms can find x and estimate x'Mx in O(N sqrt(kappa)) time. Here, we exhibit a quantum algorithm for this task that runs in poly(log N, kappa) time, an exponential improvement over the best classical algorithm.
Quantum algorithm for collisionless Boltzmann simulation of self-gravitating systems
The collisionless Boltzmann equation (CBE) is a fundamental equation that governs the dynamics of a broad range of astrophysical systems from space plasma to star clusters and galaxies. It is computationally expensive to integrate the CBE directly in a multi-dimensional phase space, and thus the applications to realistic astrophysical problems have been limited so far. Recently, Todorova & Steijl (2020) proposed an efficient quantum algorithm to solve the CBE with significantly reduced computational complexity. We extend the algorithm to perform quantum simulations of self-gravitating systems, incorporating the method to calculate gravity with the major Fourier modes of the density distribution extracted from the solution-encoding quantum state. Our method improves the dependency of time and space complexities on Nv , the number of grid points in each velocity coordinate, compared to the classical simulation methods. We then conduct some numerical demonstrations of our method. We first run a 1+1 dimensional test calculation of free streaming motion on 64*64 grids using 13 simulated qubits and validate our method. We then perform simulations of Jeans collapse, and compare the result with analytic and linear theory calculations. It will thus allow us to perform large-scale CBE simulations on future quantum computers.
Efficient and practical quantum compiler towards multi-qubit systems with deep reinforcement learning
Efficient quantum compiling tactics greatly enhance the capability of quantum computers to execute complicated quantum algorithms. Due to its fundamental importance, a plethora of quantum compilers has been designed in past years. However, there are several caveats to current protocols, which are low optimality, high inference time, limited scalability, and lack of universality. To compensate for these defects, here we devise an efficient and practical quantum compiler assisted by advanced deep reinforcement learning (RL) techniques, i.e., data generation, deep Q-learning, and AQ* search. In this way, our protocol is compatible with various quantum machines and can be used to compile multi-qubit operators. We systematically evaluate the performance of our proposal in compiling quantum operators with both inverse-closed and inverse-free universal basis sets. In the task of single-qubit operator compiling, our proposal outperforms other RL-based quantum compilers in the measure of compiling sequence length and inference time. Meanwhile, the output solution is near-optimal, guaranteed by the Solovay-Kitaev theorem. Notably, for the inverse-free universal basis set, the achieved sequence length complexity is comparable with the inverse-based setting and dramatically advances previous methods. These empirical results contribute to improving the inverse-free Solovay-Kitaev theorem. In addition, for the first time, we demonstrate how to leverage RL-based quantum compilers to accomplish two-qubit operator compiling. The achieved results open an avenue for integrating RL with quantum compiling to unify efficiency and practicality and thus facilitate the exploration of quantum advantages.
An Introduction to Quantum Computing
Quantum Computing is a new and exciting field at the intersection of mathematics, computer science and physics. It concerns a utilization of quantum mechanics to improve the efficiency of computation. Here we present a gentle introduction to some of the ideas in quantum computing. The paper begins by motivating the central ideas of quantum mechanics and quantum computation with simple toy models. From there we move on to a formal presentation of the small fraction of (finite dimensional) quantum mechanics that we will need for basic quantum computation. Central notions of quantum architecture (qubits and quantum gates) are described. The paper ends with a presentation of one of the simplest quantum algorithms: Deutsch's algorithm. Our presentation demands neither advanced mathematics nor advanced physics.
Quantum advantage in learning from experiments
Quantum technology has the potential to revolutionize how we acquire and process experimental data to learn about the physical world. An experimental setup that transduces data from a physical system to a stable quantum memory, and processes that data using a quantum computer, could have significant advantages over conventional experiments in which the physical system is measured and the outcomes are processed using a classical computer. We prove that, in various tasks, quantum machines can learn from exponentially fewer experiments than those required in conventional experiments. The exponential advantage holds in predicting properties of physical systems, performing quantum principal component analysis on noisy states, and learning approximate models of physical dynamics. In some tasks, the quantum processing needed to achieve the exponential advantage can be modest; for example, one can simultaneously learn about many noncommuting observables by processing only two copies of the system. Conducting experiments with up to 40 superconducting qubits and 1300 quantum gates, we demonstrate that a substantial quantum advantage can be realized using today's relatively noisy quantum processors. Our results highlight how quantum technology can enable powerful new strategies to learn about nature.
Quantum Diffusion Models
We propose a quantum version of a generative diffusion model. In this algorithm, artificial neural networks are replaced with parameterized quantum circuits, in order to directly generate quantum states. We present both a full quantum and a latent quantum version of the algorithm; we also present a conditioned version of these models. The models' performances have been evaluated using quantitative metrics complemented by qualitative assessments. An implementation of a simplified version of the algorithm has been executed on real NISQ quantum hardware.
Completely Discretized, Finite Quantum Mechanics
I propose a version of quantum mechanics featuring a discrete and finite number of states that is plausibly a model of the real world. The model is based on standard unitary quantum theory of a closed system with a finite-dimensional Hilbert space. Given certain simple conditions on the spectrum of the Hamiltonian, Schr\"odinger evolution is periodic, and it is straightforward to replace continuous time with a discrete version, with the result that the system only visits a discrete and finite set of state vectors. The biggest challenges to the viability of such a model come from cosmological considerations. The theory may have implications for questions of mathematical realism and finitism.
Symmetry-invariant quantum machine learning force fields
Machine learning techniques are essential tools to compute efficient, yet accurate, force fields for atomistic simulations. This approach has recently been extended to incorporate quantum computational methods, making use of variational quantum learning models to predict potential energy surfaces and atomic forces from ab initio training data. However, the trainability and scalability of such models are still limited, due to both theoretical and practical barriers. Inspired by recent developments in geometric classical and quantum machine learning, here we design quantum neural networks that explicitly incorporate, as a data-inspired prior, an extensive set of physically relevant symmetries. We find that our invariant quantum learning models outperform their more generic counterparts on individual molecules of growing complexity. Furthermore, we study a water dimer as a minimal example of a system with multiple components, showcasing the versatility of our proposed approach and opening the way towards larger simulations. Our results suggest that molecular force fields generation can significantly profit from leveraging the framework of geometric quantum machine learning, and that chemical systems represent, in fact, an interesting and rich playground for the development and application of advanced quantum machine learning tools.
Quantum computing with Qiskit
We describe Qiskit, a software development kit for quantum information science. We discuss the key design decisions that have shaped its development, and examine the software architecture and its core components. We demonstrate an end-to-end workflow for solving a problem in condensed matter physics on a quantum computer that serves to highlight some of Qiskit's capabilities, for example the representation and optimization of circuits at various abstraction levels, its scalability and retargetability to new gates, and the use of quantum-classical computations via dynamic circuits. Lastly, we discuss some of the ecosystem of tools and plugins that extend Qiskit for various tasks, and the future ahead.
Classical Glasses, Black Holes, and Strange Quantum Liquids
From the dynamics of a broad class of classical mean-field glass models one may obtain a quantum model with finite zero-temperature entropy, a quantum transition at zero temperature, and a time-reparametrization (quasi-)invariance in the dynamical equations for correlations. The low eigenvalue spectrum of the resulting quantum model is directly related to the structure and exploration of metastable states in the landscape of the original classical glass model. This mapping reveals deep connections between classical glasses and the properties of SYK-like models.
A quantum walk control plane for distributed quantum computing in quantum networks
Quantum networks are complex systems formed by the interaction among quantum processors through quantum channels. Analogous to classical computer networks, quantum networks allow for the distribution of quantum computation among quantum computers. In this work, we describe a quantum walk protocol to perform distributed quantum computing in a quantum network. The protocol uses a quantum walk as a quantum control signal to perform distributed quantum operations. We consider a generalization of the discrete-time coined quantum walk model that accounts for the interaction between a quantum walker system in the network graph with quantum registers inside the network nodes. The protocol logically captures distributed quantum computing, abstracting hardware implementation and the transmission of quantum information through channels. Control signal transmission is mapped to the propagation of the walker system across the network, while interactions between the control layer and the quantum registers are embedded into the application of coin operators. We demonstrate how to use the quantum walker system to perform a distributed CNOT operation, which shows the universality of the protocol for distributed quantum computing. Furthermore, we apply the protocol to the task of entanglement distribution in a quantum network.
Ultra-sensitive solid-state organic molecular microwave quantum receiver
High-accuracy microwave sensing is widely demanded in various fields, ranging from cosmology to microwave quantum technology. Quantum receivers based on inorganic solid-state spin systems are promising candidates for such purpose because of the stability and compatibility, but their best sensitivity is currently limited to a few pT/rm{Hz}. Here, by utilising an enhanced readout scheme with the state-of-the-art solid-state maser technology, we develop a robust microwave quantum receiver functioned by organic molecular spins at ambient conditions. Owing to the maser amplification, the sensitivity of the receiver achieves 6.14 pm 0.17 fT/rm{Hz} which exceeds three orders of magnitude than that of the inorganic solid-state quantum receivers. The heterodyne detection without additional local oscillators improves bandwidth of the receiver and allows frequency detection. The scheme can be extended to other solid-state spin systems without complicated control pulses and thus enables practical applications such as electron spin resonance spectroscopy, dark matter searches, and astronomical observations.
Let the Quantum Creep In: Designing Quantum Neural Network Models by Gradually Swapping Out Classical Components
Artificial Intelligence (AI), with its multiplier effect and wide applications in multiple areas, could potentially be an important application of quantum computing. Since modern AI systems are often built on neural networks, the design of quantum neural networks becomes a key challenge in integrating quantum computing into AI. To provide a more fine-grained characterisation of the impact of quantum components on the performance of neural networks, we propose a framework where classical neural network layers are gradually replaced by quantum layers that have the same type of input and output while keeping the flow of information between layers unchanged, different from most current research in quantum neural network, which favours an end-to-end quantum model. We start with a simple three-layer classical neural network without any normalisation layers or activation functions, and gradually change the classical layers to the corresponding quantum versions. We conduct numerical experiments on image classification datasets such as the MNIST, FashionMNIST and CIFAR-10 datasets to demonstrate the change of performance brought by the systematic introduction of quantum components. Through this framework, our research sheds new light on the design of future quantum neural network models where it could be more favourable to search for methods and frameworks that harness the advantages from both the classical and quantum worlds.
Power of sequential protocols in hidden quantum channel discrimination
In many natural and engineered systems, unknown quantum channels act on a subsystem that cannot be directly controlled and measured, but is instead learned through a controllable subsystem that weakly interacts with it. We study quantum channel discrimination (QCD) under these restrictions, which we call hidden system QCD (HQCD). We find that sequential protocols achieve perfect discrimination and saturate the Heisenberg limit. In contrast, depth-1 parallel and multi-shot protocols cannot solve HQCD. This suggests that sequential protocols are superior in experimentally realistic situations.
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.
Hyperentanglement in Nanophotonic Systems with Discrete Rotational Symmetry
We propose a scheme to generate hyperentanglement between photons carrying angular momentum in nanophotonic systems with discrete rotational symmetry. Coupling free-space photons into surface plasmon polaritons by a polygonal-shaped grating restricts the basis of the generated near-field modes to a finite set, thus creating a new mechanism for spatial mode entanglement. By encoding the incoming photons with spin and orbital angular momenta, we find that the system preserves the high-dimensional Hilbert space, in contrast to rotationally symmetric nanophotonic platforms, where the inseparability of spin and orbital degrees of freedom results in loss of information. We further show that by properly engineering the phase of the photons to conform to the polygonal boundary conditions, we achieve a new scheme for generating hyperentangled states, utilizing both the vector-field nature of the nanophotonic modes and the finite basis of states in polygonal boundary conditions. Our approach paves the way for on-chip quantum communication by expanding the Hilbert space used in computation.
Ergotropy and Capacity Optimization in Heisenberg Spin Chain Quantum Batteries
This study examines the performance of finite spin quantum batteries (QBs) using Heisenberg spin models with Dzyaloshinsky-Moriya (DM) and Kaplan--Shekhtman--Entin-Wohlman--Aharony (KSEA) interactions. The QBs are modeled as interacting quantum spins in local inhomogeneous magnetic fields, inducing variable Zeeman splitting. We derive analytical expressions for the maximal extractable work, ergotropy and the capacity of QBs, as recently examined by Yang et al. [Phys. Rev. Lett. 131, 030402 (2023)]. These quantities are analytically linked through certain quantum correlations, as posited in the aforementioned study. Different Heisenberg spin chain models exhibit distinct behaviors under varying conditions, emphasizing the importance of model selection for optimizing QB performance. In antiferromagnetic (AFM) systems, maximum ergotropy occurs with a Zeeman splitting field applied to either spin, while ferromagnetic (FM) systems benefit from a uniform Zeeman field. Temperature significantly impacts QB performance, with ergotropy in the AFM case being generally more robust against temperature increases compared to the FM case. Incorporating DM and KSEA couplings can significantly enhance the capacity and ergotropy extraction of QBs. However, there exists a threshold beyond which additional increases in these interactions cause a sharp decline in capacity and ergotropy. This behavior is influenced by temperature and quantum coherence, which signal the occurrence of a sudden phase transition. The resource theory of quantum coherence proposed by Baumgratz et al. [Phys. Rev. Lett. 113, 140401 (2014)] plays a crucial role in enhancing ergotropy and capacity. However, ergotropy is limited by both the system's capacity and the amount of coherence. These findings support the theoretical framework of spin-based QBs and may benefit future research on quantum energy storage devices.
Two-photon driven Kerr quantum oscillator with multiple spectral degeneracies
Kerr nonlinear oscillators driven by a two-photon process are promising systems to encode quantum information and to ensure a hardware-efficient scaling towards fault-tolerant quantum computation. In this paper, we show that an extra control parameter, the detuning of the two-photon drive with respect to the oscillator resonance, plays a crucial role in the properties of the defined qubit. At specific values of this detuning, we benefit from strong symmetries in the system, leading to multiple degeneracies in the spectrum of the effective confinement Hamiltonian. Overall, these degeneracies lead to a stronger suppression of bit-flip errors. We also study the combination of such Hamiltonian confinement with colored dissipation to suppress leakage outside of the bosonic code space. We show that the additional degeneracies allow us to perform fast and high-fidelity gates while preserving a strong suppression of bit-flip errors.
Quantum machine learning for image classification
Image classification, a pivotal task in multiple industries, faces computational challenges due to the burgeoning volume of visual data. This research addresses these challenges by introducing two quantum machine learning models that leverage the principles of quantum mechanics for effective computations. Our first model, a hybrid quantum neural network with parallel quantum circuits, enables the execution of computations even in the noisy intermediate-scale quantum era, where circuits with a large number of qubits are currently infeasible. This model demonstrated a record-breaking classification accuracy of 99.21% on the full MNIST dataset, surpassing the performance of known quantum-classical models, while having eight times fewer parameters than its classical counterpart. Also, the results of testing this hybrid model on a Medical MNIST (classification accuracy over 99%), and on CIFAR-10 (classification accuracy over 82%), can serve as evidence of the generalizability of the model and highlights the efficiency of quantum layers in distinguishing common features of input data. Our second model introduces a hybrid quantum neural network with a Quanvolutional layer, reducing image resolution via a convolution process. The model matches the performance of its classical counterpart, having four times fewer trainable parameters, and outperforms a classical model with equal weight parameters. These models represent advancements in quantum machine learning research and illuminate the path towards more accurate image classification systems.
Implementing An Artificial Quantum Perceptron
A Perceptron is a fundamental building block of a neural network. The flexibility and scalability of perceptron make it ubiquitous in building intelligent systems. Studies have shown the efficacy of a single neuron in making intelligent decisions. Here, we examined and compared two perceptrons with distinct mechanisms, and developed a quantum version of one of those perceptrons. As a part of this modeling, we implemented the quantum circuit for an artificial perception, generated a dataset, and simulated the training. Through these experiments, we show that there is an exponential growth advantage and test different qubit versions. Our findings show that this quantum model of an individual perceptron can be used as a pattern classifier. For the second type of model, we provide an understanding to design and simulate a spike-dependent quantum perceptron. Our code is available at https://github.com/ashutosh1919/quantum-perceptron
Advantages and Bottlenecks of Quantum Machine Learning for Remote Sensing
This concept paper aims to provide a brief outline of quantum computers, explore existing methods of quantum image classification techniques, so focusing on remote sensing applications, and discuss the bottlenecks of performing these algorithms on currently available open source platforms. Initial results demonstrate feasibility. Next steps include expanding the size of the quantum hidden layer and increasing the variety of output image options.
Quantum Monte Carlo methods for Newsvendor problem with Multiple Unreliable Suppliers
In the post-pandemic world, manufacturing enterprises face increasing uncertainties, especially with vulnerabilities in global supply chains. Although supply chain management has been extensively studied, the critical influence of decision-makers (DMs) in these systems remains underexplored. This study studies the inventory management problem under risk using the newsvendor model by incorporating DMs risk preferences. By employing the Quantum Monte Carlo (QMC) combined with Quantum Amplitude Estimation (QAE) algorithm, the estimation of probabilities or expectation values can be done more efficiently. This offers near-quadratic speedup compared to classical Monte Carlo methods. Our findings illuminate the intricate relationship between risk-aware decision-making and inventory management, providing essential insights for enhancing supply chain resilience and adaptability in uncertain conditions
Control flow in active inference systems
Living systems face both environmental complexity and limited access to free-energy resources. Survival under these conditions requires a control system that can activate, or deploy, available perception and action resources in a context specific way. We show here that when systems are described as executing active inference driven by the free-energy principle (and hence can be considered Bayesian prediction-error minimizers), their control flow systems can always be represented as tensor networks (TNs). We show how TNs as control systems can be implmented within the general framework of quantum topological neural networks, and discuss the implications of these results for modeling biological systems at multiple scales.
The P versus NP Problem in Quantum Physics
Motivated by the fact that information is encoded and processed by physical systems, the P versus NP problem is examined in terms of physical processes. In particular, we consider P as a class of deterministic, and NP as nondeterministic, polynomial-time physical processes. Based on these identifications, we review a self-reference physical process in quantum theory, which belongs to NP but cannot be contained in P.
Bridging Quantum Mechanics to Organic Liquid Properties via a Universal Force Field
Molecular dynamics (MD) simulations are essential tools for unraveling atomistic insights into the structure and dynamics of condensed-phase systems. However, the universal and accurate prediction of macroscopic properties from ab initio calculations remains a significant challenge, often hindered by the trade-off between computational cost and simulation accuracy. Here, we present ByteFF-Pol, a graph neural network (GNN)-parameterized polarizable force field, trained exclusively on high-level quantum mechanics (QM) data. Leveraging physically-motivated force field forms and training strategies, ByteFF-Pol exhibits exceptional performance in predicting thermodynamic and transport properties for a wide range of small-molecule liquids and electrolytes, outperforming state-of-the-art (SOTA) classical and machine learning force fields. The zero-shot prediction capability of ByteFF-Pol bridges the gap between microscopic QM calculations and macroscopic liquid properties, enabling the exploration of previously intractable chemical spaces. This advancement holds transformative potential for applications such as electrolyte design and custom-tailored solvent, representing a pivotal step toward data-driven materials discovery.
First Order Quantum Phase Transition in the Hybrid Metal-Mott Insulator Transition Metal Dichalcogenide 4Hb-TaS2
Coupling together distinct correlated and topologically non-trivial electronic phases of matter can potentially induce novel electronic orders and phase transitions among them. Transition metal dichalcogenide compounds serve as a bedrock for exploration of such hybrid systems. They host a variety of exotic electronic phases and their Van der Waals nature enables to admix them, either by exfoliation and stacking or by stoichiometric growth, and thereby induce novel correlated complexes. Here we investigate the compound 4Hb-TaS_2 that interleaves the Mott-insulating state of 1T-TaS_2 and the putative spin liquid it hosts together with the metallic state of 2H-TaS_2 and the low temperature superconducting phase it harbors. We reveal a thermodynamic phase diagram that hosts a first order quantum phase transition between a correlated Kondo cluster state and a flat band state in which the Kondo cluster becomes depleted. We demonstrate that this intrinsic transition can be induced by an electric field and temperature as well as by manipulation of the interlayer coupling with the probe tip, hence allowing to reversibly toggle between the Kondo cluster and the flat band states. The phase transition is manifested by a discontinuous change of the complete electronic spectrum accompanied by hysteresis and low frequency noise. We find that the shape of the transition line in the phase diagram is determined by the local compressibility and the entropy of the two electronic states. Our findings set such heterogeneous structures as an exciting platform for systematic investigation and manipulation of Mott-metal transitions and strongly correlated phases and quantum phase transitions therein.
Advances in Quantum Cryptography
Quantum cryptography is arguably the fastest growing area in quantum information science. Novel theoretical protocols are designed on a regular basis, security proofs are constantly improving, and experiments are gradually moving from proof-of-principle lab demonstrations to in-field implementations and technological prototypes. In this review, we provide both a general introduction and a state of the art description of the recent advances in the field, both theoretically and experimentally. We start by reviewing protocols of quantum key distribution based on discrete variable systems. Next we consider aspects of device independence, satellite challenges, and high rate protocols based on continuous variable systems. We will then discuss the ultimate limits of point-to-point private communications and how quantum repeaters and networks may overcome these restrictions. Finally, we will discuss some aspects of quantum cryptography beyond standard quantum key distribution, including quantum data locking and quantum digital signatures.
BenchRL-QAS: Benchmarking reinforcement learning algorithms for quantum architecture search
We present BenchRL-QAS, a unified benchmarking framework for reinforcement learning (RL) in quantum architecture search (QAS) across a spectrum of variational quantum algorithm tasks on 2- to 8-qubit systems. Our study systematically evaluates 9 different RL agents, including both value-based and policy-gradient methods, on quantum problems such as variational eigensolver, quantum state diagonalization, variational quantum classification (VQC), and state preparation, under both noiseless and noisy execution settings. To ensure fair comparison, we propose a weighted ranking metric that integrates accuracy, circuit depth, gate count, and training time. Results demonstrate that no single RL method dominates universally, the performance dependents on task type, qubit count, and noise conditions providing strong evidence of no free lunch principle in RL-QAS. As a byproduct we observe that a carefully chosen RL algorithm in RL-based VQC outperforms baseline VQCs. BenchRL-QAS establishes the most extensive benchmark for RL-based QAS to date, codes and experimental made publicly available for reproducibility and future advances.
Topological Quantum Compilation Using Mixed-Integer Programming
We introduce the Mixed-Integer Quadratically Constrained Quadratic Programming framework for the quantum compilation problem and apply it in the context of topological quantum computing. In this setting, quantum gates are realized by sequences of elementary braids of quasiparticles with exotic fractional statistics in certain two-dimensional topological condensed matter systems, described by effective topological quantum field theories. We specifically focus on a non-semisimple version of topological field theory, which provides a foundation for an extended theory of Ising anyons and which has recently been shown by Iulianelli et al., Nature Communications {\bf 16}, 6408 (2025), to permit universal quantum computation. While the proofs of this pioneering result are existential in nature, the mixed integer programming provides an approach to explicitly construct quantum gates in topological systems. We demonstrate this by focusing specifically on the entangling controlled-NOT operation, and its local equivalence class, using braiding operations in the non-semisimple Ising system. This illustrates the utility of the Mixed-Integer Quadratically Constrained Quadratic Programming for topological quantum compilation.
Automated Quantum Circuit Design with Nested Monte Carlo Tree Search
Quantum algorithms based on variational approaches are one of the most promising methods to construct quantum solutions and have found a myriad of applications in the last few years. Despite the adaptability and simplicity, their scalability and the selection of suitable ans\"atzs remain key challenges. In this work, we report an algorithmic framework based on nested Monte-Carlo Tree Search (MCTS) coupled with the combinatorial multi-armed bandit (CMAB) model for the automated design of quantum circuits. Through numerical experiments, we demonstrated our algorithm applied to various kinds of problems, including the ground energy problem in quantum chemistry, quantum optimisation on a graph, solving systems of linear equations, and finding encoding circuit for quantum error detection codes. Compared to the existing approaches, the results indicate that our circuit design algorithm can explore larger search spaces and optimise quantum circuits for larger systems, showing both versatility and scalability.
Supervised learning with quantum enhanced feature spaces
Machine learning and quantum computing are two technologies each with the potential for altering how computation is performed to address previously untenable problems. Kernel methods for machine learning are ubiquitous for pattern recognition, with support vector machines (SVMs) being the most well-known method for classification problems. However, there are limitations to the successful solution to such problems when the feature space becomes large, and the kernel functions become computationally expensive to estimate. A core element to computational speed-ups afforded by quantum algorithms is the exploitation of an exponentially large quantum state space through controllable entanglement and interference. Here, we propose and experimentally implement two novel methods on a superconducting processor. Both methods represent the feature space of a classification problem by a quantum state, taking advantage of the large dimensionality of quantum Hilbert space to obtain an enhanced solution. One method, the quantum variational classifier builds on [1,2] and operates through using a variational quantum circuit to classify a training set in direct analogy to conventional SVMs. In the second, a quantum kernel estimator, we estimate the kernel function and optimize the classifier directly. The two methods present a new class of tools for exploring the applications of noisy intermediate scale quantum computers [3] to machine learning.
Hybridization Gap and Edge States in Strain-layer InAs/In0.5Ga0.5Sb Quantum Spin Hall Insulator
The hybridization gap in strained-layer InAs/InxGa1-xSb quantum spin Hall insulators (QSHIs) is significantly enhanced compared to binary InAs/GaSb QSHI structures, where the typical indium composition, x, ranges between 0.2 and 0.4. This enhancement prompts a critical question: to what extent can quantum wells (QWs) be strained while still preserving the fundamental QSHI phase? In this study, we demonstrate the controlled molecular beam epitaxial (MBE) growth of highly strained-layer QWs with an indium composition of x = 0.5. These structures possess a substantial compressive strain within the In0.5Ga0.5Sb QW. Detailed crystal structure analyses confirm the exceptional quality of the resulting epitaxial films, indicating coherent lattice structures and the absence of visible dislocations. Transport measurements further reveal that the QSHI phase in InAs/In0.5Ga0.5Sb QWs is robust and protected by time-reversal symmetry. Notably, the edge states in these systems exhibit giant magnetoresistance when subjected to a modest perpendicular magnetic field. This behavior is in agreement with the Z2 topological property predicted by the Bernevig-Hughes-Zhang (BHZ) model, confirming the preservation of topologically protected edge transport in the presence of enhanced bulk strain.
Simulating the two-dimensional $t-J$ model at finite doping with neural quantum states
Simulating large, strongly interacting fermionic systems remains a major challenge for existing numerical methods. In this work, we present, for the first time, the application of neural quantum states - specifically, hidden fermion determinant states (HFDS) - to simulate the strongly interacting limit of the Fermi-Hubbard model, namely the t-J model, across the entire doping regime. We demonstrate that HFDS achieve energies competitive with matrix product states (MPS) on lattices as large as 8 times 8 sites while using several orders of magnitude fewer parameters, suggesting the potential for efficient application to even larger system sizes. This remarkable efficiency enables us to probe low-energy physics across the full doping range, providing new insights into the competition between kinetic and magnetic interactions and the nature of emergent quasiparticles. Starting from the low-doping regime, where magnetic polarons dominate the low energy physics, we track their evolution with increasing doping through analyses of spin and polaron correlation functions. Our findings demonstrate the potential of determinant-based neural quantum states with inherent fermionic sign structure, opening the way for simulating large-scale fermionic systems at any particle filling.
Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond
The development of reliable and extensible molecular mechanics (MM) force fields -- fast, empirical models characterizing the potential energy surface of molecular systems -- is indispensable for biomolecular simulation and computer-aided drug design. Here, we introduce a generalized and extensible machine-learned MM force field, espaloma-0.3, and an end-to-end differentiable framework using graph neural networks to overcome the limitations of traditional rule-based methods. Trained in a single GPU-day to fit a large and diverse quantum chemical dataset of over 1.1M energy and force calculations, espaloma-0.3 reproduces quantum chemical energetic properties of chemical domains highly relevant to drug discovery, including small molecules, peptides, and nucleic acids. Moreover, this force field maintains the quantum chemical energy-minimized geometries of small molecules and preserves the condensed phase properties of peptides, self-consistently parametrizing proteins and ligands to produce stable simulations leading to highly accurate predictions of binding free energies. This methodology demonstrates significant promise as a path forward for systematically building more accurate force fields that are easily extensible to new chemical domains of interest.
QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules
Supervised machine learning approaches have been increasingly used in accelerating electronic structure prediction as surrogates of first-principle computational methods, such as density functional theory (DFT). While numerous quantum chemistry datasets focus on chemical properties and atomic forces, the ability to achieve accurate and efficient prediction of the Hamiltonian matrix is highly desired, as it is the most important and fundamental physical quantity that determines the quantum states of physical systems and chemical properties. In this work, we generate a new Quantum Hamiltonian dataset, named as QH9, to provide precise Hamiltonian matrices for 999 or 2998 molecular dynamics trajectories and 130,831 stable molecular geometries, based on the QM9 dataset. By designing benchmark tasks with various molecules, we show that current machine learning models have the capacity to predict Hamiltonian matrices for arbitrary molecules. Both the QH9 dataset and the baseline models are provided to the community through an open-source benchmark, which can be highly valuable for developing machine learning methods and accelerating molecular and materials design for scientific and technological applications. Our benchmark is publicly available at https://github.com/divelab/AIRS/tree/main/OpenDFT/QHBench.
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.
Clustered Geometries Exploiting Quantum Coherence Effects for Efficient Energy Transfer in Light Harvesting
Elucidating quantum coherence effects and geometrical factors for efficient energy transfer in photosynthesis has the potential to uncover non-classical design principles for advanced organic materials. We study energy transfer in a linear light-harvesting model to reveal that dimerized geometries with strong electronic coherences within donor and acceptor pairs exhibit significantly improved efficiency, which is in marked contrast to predictions of the classical F\"orster theory. We reveal that energy tuning due to coherent delocalization of photoexcitations is mainly responsible for the efficiency optimization. This coherence-assisted energy-tuning mechanism also explains the energetics and chlorophyll arrangements in the widely-studied Fenna-Matthews-Olson complex. We argue that a clustered network with rapid energy relaxation among donors and resonant energy transfer from donor to acceptor states provides a basic formula for constructing efficient light-harvesting systems, and the general principles revealed here can be generalized to larger systems and benefit future innovation of efficient molecular light-harvesting materials.
Bridging Theory and Practice in Quantum Game Theory: Optimized Implementation of the Battle of the Sexes with Error Mitigation on NISQ Hardware
Implementing quantum game theory on real hardware is challenging due to noise, decoherence, and limited qubit connectivity, yet such demonstrations are essential to validate theoretical predictions. We present one of the first full experimental realizations of the Battle of the Sexes game under the Eisert-Wilkens-Lewenstein (EWL) framework on IBM Quantum's ibm sherbrooke superconducting processor. Four quantum strategies (I, H, R(pi/4), R(pi)) were evaluated across 31 entanglement values gamma in [0, pi] using 2048 shots per configuration, enabling a direct comparison between analytical predictions and hardware execution. To mitigate noise and variability, we introduce a Guided Circuit Mapping (GCM) method that dynamically selects qubit pairs and optimizes routing based on real-time topology and calibration data. The analytical model forecasts up to 108% payoff improvement over the classical equilibrium, and despite hardware-induced deviations, experimental results with GCM preserve the expected payoff trends within 3.5%-12% relative error. These findings show that quantum advantages in strategic coordination can persist under realistic NISQ conditions, providing a pathway toward practical applications of quantum game theory in multi-agent, economic, and distributed decision-making systems.
Efficient and Equivariant Graph Networks for Predicting Quantum Hamiltonian
We consider the prediction of the Hamiltonian matrix, which finds use in quantum chemistry and condensed matter physics. Efficiency and equivariance are two important, but conflicting factors. In this work, we propose a SE(3)-equivariant network, named QHNet, that achieves efficiency and equivariance. Our key advance lies at the innovative design of QHNet architecture, which not only obeys the underlying symmetries, but also enables the reduction of number of tensor products by 92\%. In addition, QHNet prevents the exponential growth of channel dimension when more atom types are involved. We perform experiments on MD17 datasets, including four molecular systems. Experimental results show that our QHNet can achieve comparable performance to the state of the art methods at a significantly faster speed. Besides, our QHNet consumes 50\% less memory due to its streamlined architecture. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).
ANTN: Bridging Autoregressive Neural Networks and Tensor Networks for Quantum Many-Body Simulation
Quantum many-body physics simulation has important impacts on understanding fundamental science and has applications to quantum materials design and quantum technology. However, due to the exponentially growing size of the Hilbert space with respect to the particle number, a direct simulation is intractable. While representing quantum states with tensor networks and neural networks are the two state-of-the-art methods for approximate simulations, each has its own limitations in terms of expressivity and inductive bias. To address these challenges, we develop a novel architecture, Autoregressive Neural TensorNet (ANTN), which bridges tensor networks and autoregressive neural networks. We show that Autoregressive Neural TensorNet parameterizes normalized wavefunctions, allows for exact sampling, generalizes the expressivity of tensor networks and autoregressive neural networks, and inherits a variety of symmetries from autoregressive neural networks. We demonstrate our approach on quantum state learning as well as finding the ground state of the challenging 2D J_1-J_2 Heisenberg model with different systems sizes and coupling parameters, outperforming both tensor networks and autoregressive neural networks. Our work opens up new opportunities for scientific simulations of quantum many-body physics and quantum technology.
Implications of Deep Circuits in Improving Quality of Quantum Question Answering
Question Answering (QA) has proved to be an arduous challenge in the area of natural language processing (NLP) and artificial intelligence (AI). Many attempts have been made to develop complete solutions for QA as well as improving significant sub-modules of the QA systems to improve the overall performance through the course of time. Questions are the most important piece of QA, because knowing the question is equivalent to knowing what counts as an answer (Harrah in Philos Sci, 1961 [1]). In this work, we have attempted to understand questions in a better way by using Quantum Machine Learning (QML). The properties of Quantum Computing (QC) have enabled classically intractable data processing. So, in this paper, we have performed question classification on questions from two classes of SelQA (Selection-based Question Answering) dataset using quantum-based classifier algorithms-quantum support vector machine (QSVM) and variational quantum classifier (VQC) from Qiskit (Quantum Information Science toolKIT) for Python. We perform classification with both classifiers in almost similar environments and study the effects of circuit depths while comparing the results of both classifiers. We also use these classification results with our own rule-based QA system and observe significant performance improvement. Hence, this experiment has helped in improving the quality of QA in general.
Agents for self-driving laboratories applied to quantum computing
Fully automated self-driving laboratories are promising to enable high-throughput and large-scale scientific discovery by reducing repetitive labour. However, effective automation requires deep integration of laboratory knowledge, which is often unstructured, multimodal, and difficult to incorporate into current AI systems. This paper introduces the k-agents framework, designed to support experimentalists in organizing laboratory knowledge and automating experiments with agents. Our framework employs large language model-based agents to encapsulate laboratory knowledge including available laboratory operations and methods for analyzing experiment results. To automate experiments, we introduce execution agents that break multi-step experimental procedures into state machines, interact with other agents to execute each step and analyze the experiment results. The analyzed results are then utilized to drive state transitions, enabling closed-loop feedback control. To demonstrate its capabilities, we applied the agents to calibrate and operate a superconducting quantum processor, where they autonomously planned and executed experiments for hours, successfully producing and characterizing entangled quantum states at the level achieved by human scientists. Our knowledge-based agent system opens up new possibilities for managing laboratory knowledge and accelerating scientific discovery.
Generalized thermalization for integrable system under quantum quench
We investigate equilibration and generalized thermalization of the quantum Harmonic chain under local quantum quench. The quench action we consider is connecting two disjoint harmonic chains of different sizes and the system jumps between two integrable settings. We verify the validity of the Generalized Gibbs Ensemble description for this infinite dimensional Hilbert space system and also identify equilibration between the subsystems as in classical systems. Using Bogoliubov transformations, we show that the eigenstates of the system prior to the quench evolve towards the Gibbs Generalized Ensemble description. Eigenstates that are more delocalized (in the sense of inverse participation ratio) prior to the quench, tend to equilibrate more rapidly. Further, through the phase space properties of a Generalized Gibbs Ensemble and the strength of stimulated emission, we identify the necessary criterion on the initial states for such relaxation at late times and also find out the states which would potentially not be described by the Gibbs Generalized Ensemble description.
Extracting inter-dot tunnel couplings between few donor quantum dots in silicon
The long term scaling prospects for solid-state quantum computing architectures relies heavily on the ability to simply and reliably measure and control the coherent electron interaction strength, known as the tunnel coupling, t_c. Here, we describe a method to extract the t_c between two quantum dots (QDs) utilising their different tunnel rates to a reservoir. We demonstrate the technique on a few donor triple QD tunnel coupled to a nearby single-electron transistor (SET) in silicon. The device was patterned using scanning tunneling microscopy-hydrogen lithography allowing for a direct measurement of the tunnel coupling for a given inter-dot distance. We extract {t}_{{c}}=5.5pm 1.8;{GHz} and {t}_{{c}}=2.2pm 1.3;{GHz} between each of the nearest-neighbour QDs which are separated by 14.5 nm and 14.0 nm, respectively. The technique allows for an accurate measurement of t_c for nanoscale devices even when it is smaller than the electron temperature and is an ideal characterisation tool for multi-dot systems with a charge sensor.
Surface codes: Towards practical large-scale quantum computation
This article provides an introduction to surface code quantum computing. We first estimate the size and speed of a surface code quantum computer. We then introduce the concept of the stabilizer, using two qubits, and extend this concept to stabilizers acting on a two-dimensional array of physical qubits, on which we implement the surface code. We next describe how logical qubits are formed in the surface code array and give numerical estimates of their fault-tolerance. We outline how logical qubits are physically moved on the array, how qubit braid transformations are constructed, and how a braid between two logical qubits is equivalent to a controlled-NOT. We then describe the single-qubit Hadamard, S and T operators, completing the set of required gates for a universal quantum computer. We conclude by briefly discussing physical implementations of the surface code. We include a number of appendices in which we provide supplementary information to the main text.
GenSC-6G: A Prototype Testbed for Integrated Generative AI, Quantum, and Semantic Communication
We introduce a prototyping testbed, GenSC-6G, developed to generate a comprehensive dataset that supports the integration of generative artificial intelligence (AI), quantum computing, and semantic communication for emerging sixth-generation (6G) applications. The GenSC-6G dataset is designed with noise-augmented synthetic data optimized for semantic decoding, classification, and localization tasks, significantly enhancing flexibility for diverse AI-driven communication applications. This adaptable prototype supports seamless modifications across baseline models, communication modules, and goal-oriented decoders. Case studies demonstrate its application in lightweight classification, semantic upsampling, and edge-based language inference under noise conditions. The GenSC-6G dataset serves as a scalable and robust resource for developing goal-oriented communication systems tailored to the growing demands of 6G networks.
A Hybrid Encryption Framework Combining Classical, Post-Quantum, and QKD Methods
This paper introduces a hybrid encryption framework combining classical cryptography (EdDSA, ECDH), post-quantum cryptography (ML-DSA-6x5, ML-KEM-768), and Quantum Key Distribution (QKD) via Guardian to counter quantum computing threats. Our prototype implements this integration, using a key derivation function to generate secure symmetric and HMAC keys, and evaluates its performance across execution time and network metrics. The approach improves data protection by merging classical efficiency with PQC's quantum resilience and QKD's key security, offering a practical transition path for cryptographic systems. This research lays the foundation for future adoption of PQC in securing digital communication.
Partial Differential Equations is All You Need for Generating Neural Architectures -- A Theory for Physical Artificial Intelligence Systems
In this work, we generalize the reaction-diffusion equation in statistical physics, Schr\"odinger equation in quantum mechanics, Helmholtz equation in paraxial optics into the neural partial differential equations (NPDE), which can be considered as the fundamental equations in the field of artificial intelligence research. We take finite difference method to discretize NPDE for finding numerical solution, and the basic building blocks of deep neural network architecture, including multi-layer perceptron, convolutional neural network and recurrent neural networks, are generated. The learning strategies, such as Adaptive moment estimation, L-BFGS, pseudoinverse learning algorithms and partial differential equation constrained optimization, are also presented. We believe it is of significance that presented clear physical image of interpretable deep neural networks, which makes it be possible for applying to analog computing device design, and pave the road to physical artificial intelligence.
Optimal fidelity in implementing Grover's search algorithm on open quantum system
We investigate the fidelity of Grover's search algorithm by implementing it on an open quantum system. In particular, we study with what accuracy one can estimate that the algorithm would deliver the searched state. In reality, every system has some influence of its environment. We include the environmental effects on the system dynamics by using a recently reported fluctuation-regulated quantum master equation (FRQME). The FRQME indicates that in addition to the regular relaxation due to system-environment coupling, the applied drive also causes dissipation in the system dynamics. As a result, the fidelity is found to depend on both the drive-induced dissipative terms and the relaxation terms and we find that there exists a competition between them, leading to an optimum value of the drive amplitude for which the fidelity becomes maximum. For efficient implementation of the search algorithm, precise knowledge of this optimum drive amplitude is essential.
Quantum Machine Learning in Drug Discovery: Applications in Academia and Pharmaceutical Industries
The nexus of quantum computing and machine learning - quantum machine learning - offers the potential for significant advancements in chemistry. This review specifically explores the potential of quantum neural networks on gate-based quantum computers within the context of drug discovery. We discuss the theoretical foundations of quantum machine learning, including data encoding, variational quantum circuits, and hybrid quantum-classical approaches. Applications to drug discovery are highlighted, including molecular property prediction and molecular generation. We provide a balanced perspective, emphasizing both the potential benefits and the challenges that must be addressed.
A Generative Modeling Approach Using Quantum Gates
In recent years, quantum computing has emerged as a promising technology for solving complex computational problems. Generative modeling is a technique that allows us to learn and generate new data samples similar to the original dataset. In this paper, we propose a generative modeling approach using quantum gates to generate new samples from a given dataset. We start with a brief introduction to quantum computing and generative modeling. Then, we describe our proposed approach, which involves encoding the dataset into quantum states and using quantum gates to manipulate these states to generate new samples. We also provide mathematical details of our approach and demonstrate its effectiveness through experimental results on various datasets.
Scalable quantum neural networks by few quantum resources
This paper focuses on the construction of a general parametric model that can be implemented executing multiple swap tests over few qubits and applying a suitable measurement protocol. The model turns out to be equivalent to a two-layer feedforward neural network which can be realized combining small quantum modules. The advantages and the perspectives of the proposed quantum method are discussed.
Five open problems in quantum information
We identify five selected open problems in the theory of quantum information, which are rather simple to formulate, were well-studied in the literature, but are technically not easy. As these problems enjoy diverse mathematical connections, they offer a huge breakthrough potential. The first four concern existence of certain objects relevant for quantum information, namely a family of symmetric informationally complete generalized measurements in an infinite sequence of dimensions, mutually unbiased bases in dimension six, absolutely maximally entangled states for four subsystems with six levels each and bound entangled states with negative partial transpose. The fifth problem requires checking whether a certain state of a two-ququart system is 2-copy distillable. An award for solving each of them is announced.
Efficient Quantum Algorithms for Quantum Optimal Control
In this paper, we present efficient quantum algorithms that are exponentially faster than classical algorithms for solving the quantum optimal control problem. This problem involves finding the control variable that maximizes a physical quantity at time T, where the system is governed by a time-dependent Schr\"odinger equation. This type of control problem also has an intricate relation with machine learning. Our algorithms are based on a time-dependent Hamiltonian simulation method and a fast gradient-estimation algorithm. We also provide a comprehensive error analysis to quantify the total error from various steps, such as the finite-dimensional representation of the control function, the discretization of the Schr\"odinger equation, the numerical quadrature, and optimization. Our quantum algorithms require fault-tolerant quantum computers.
The Virtual Quantum Optics Laboratory
We present a web-based software tool, the Virtual Quantum Optics Laboratory (VQOL), that may be used for designing and executing realistic simulations of quantum optics experiments. A graphical user interface allows one to rapidly build and configure a variety of different optical experiments, while the runtime environment provides unique capabilities for visualization and analysis. All standard linear optical components are available as well as sources of thermal, coherent, and entangled Gaussian states. A unique aspect of VQOL is the introduction of non-Gaussian measurements using detectors modeled as deterministic devices that "click" when the amplitude of the light falls above a given threshold. We describe the underlying theoretical models and provide several illustrative examples. We find that VQOL provides a a faithful representation of many experimental quantum optics phenomena and may serve as both a useful instructional tool for students as well as a valuable research tool for practitioners.
Everything You Always Wanted to Know About Quantum Circuits
In this work, we provide an overview of circuits for quantum computing. We introduce gates used in quantum computation and then present resource cost measurements used to evaluate circuits made from these gates. We then illustrate how the gates shown are then combined into quantum circuits for basic arithmetic functions. Architectures for addition, subtraction, multiplication, and division are shown. We demonstrate how to calculate the resource costs of quantum circuits. We conclude this overview with by illustrating an application of the elementary quantum circuits for the image rotation operation.
Quantum Monte Carlo simulations in the restricted Hilbert space of Rydberg atom arrays
Rydberg atom arrays have emerged as a powerful platform to simulate a number of exotic quantum ground states and phase transitions. To verify these capabilities numerically, we develop a versatile quantum Monte Carlo sampling technique which operates in the reduced Hilbert space generated by enforcing the constraint of a Rydberg blockade. We use the framework of stochastic series expansion and show that in the restricted space, the configuration space of operator strings can be understood as a hard rod gas in d+1 dimensions. We use this mapping to develop cluster algorithms which can be visualized as various non-local movements of rods. We study the efficiency of each of our updates individually and collectively. To elucidate the utility of the algorithm, we show that it can efficiently generate the phase diagram of a Rydberg atom array, to temperatures much smaller than all energy scales involved, on a Kagom\'e link lattice. This is of broad interest as the presence of a Z_2 spin liquid has been hypothesized recently.
Neural auto-designer for enhanced quantum kernels
Quantum kernels hold great promise for offering computational advantages over classical learners, with the effectiveness of these kernels closely tied to the design of the quantum feature map. However, the challenge of designing effective quantum feature maps for real-world datasets, particularly in the absence of sufficient prior information, remains a significant obstacle. In this study, we present a data-driven approach that automates the design of problem-specific quantum feature maps. Our approach leverages feature-selection techniques to handle high-dimensional data on near-term quantum machines with limited qubits, and incorporates a deep neural predictor to efficiently evaluate the performance of various candidate quantum kernels. Through extensive numerical simulations on different datasets, we demonstrate the superiority of our proposal over prior methods, especially for the capability of eliminating the kernel concentration issue and identifying the feature map with prediction advantages. Our work not only unlocks the potential of quantum kernels for enhancing real-world tasks but also highlights the substantial role of deep learning in advancing quantum machine learning.
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.
Covariant quantum kernels for data with group structure
The use of kernel functions is a common technique to extract important features from data sets. A quantum computer can be used to estimate kernel entries as transition amplitudes of unitary circuits. Quantum kernels exist that, subject to computational hardness assumptions, cannot be computed classically. It is an important challenge to find quantum kernels that provide an advantage in the classification of real-world data. We introduce a class of quantum kernels that can be used for data with a group structure. The kernel is defined in terms of a unitary representation of the group and a fiducial state that can be optimized using a technique called kernel alignment. We apply this method to a learning problem on a coset-space that embodies the structure of many essential learning problems on groups. We implement the learning algorithm with 27 qubits on a superconducting processor.
Quantum Denoising Diffusion Models
In recent years, machine learning models like DALL-E, Craiyon, and Stable Diffusion have gained significant attention for their ability to generate high-resolution images from concise descriptions. Concurrently, quantum computing is showing promising advances, especially with quantum machine learning which capitalizes on quantum mechanics to meet the increasing computational requirements of traditional machine learning algorithms. This paper explores the integration of quantum machine learning and variational quantum circuits to augment the efficacy of diffusion-based image generation models. Specifically, we address two challenges of classical diffusion models: their low sampling speed and the extensive parameter requirements. We introduce two quantum diffusion models and benchmark their capabilities against their classical counterparts using MNIST digits, Fashion MNIST, and CIFAR-10. Our models surpass the classical models with similar parameter counts in terms of performance metrics FID, SSIM, and PSNR. Moreover, we introduce a consistency model unitary single sampling architecture that combines the diffusion procedure into a single step, enabling a fast one-step image generation.
Improved FRQI on superconducting processors and its restrictions in the NISQ era
In image processing, the amount of data to be processed grows rapidly, in particular when imaging methods yield images of more than two dimensions or time series of images. Thus, efficient processing is a challenge, as data sizes may push even supercomputers to their limits. Quantum image processing promises to encode images with logarithmically less qubits than classical pixels in the image. In theory, this is a huge progress, but so far not many experiments have been conducted in practice, in particular on real backends. Often, the precise conversion of classical data to quantum states, the exact implementation, and the interpretation of the measurements in the classical context are challenging. We investigate these practical questions in this paper. In particular, we study the feasibility of the Flexible Representation of Quantum Images (FRQI). Furthermore, we check experimentally what is the limit in the current noisy intermediate-scale quantum era, i.e. up to which image size an image can be encoded, both on simulators and on real backends. Finally, we propose a method for simplifying the circuits needed for the FRQI. With our alteration, the number of gates needed, especially of the error-prone controlled-NOT gates, can be reduced. As a consequence, the size of manageable images increases.
An Artificial Neuron Implemented on an Actual Quantum Processor
Artificial neural networks are the heart of machine learning algorithms and artificial intelligence protocols. Historically, the simplest implementation of an artificial neuron traces back to the classical Rosenblatt's `perceptron', but its long term practical applications may be hindered by the fast scaling up of computational complexity, especially relevant for the training of multilayered perceptron networks. Here we introduce a quantum information-based algorithm implementing the quantum computer version of a perceptron, which shows exponential advantage in encoding resources over alternative realizations. We experimentally test a few qubits version of this model on an actual small-scale quantum processor, which gives remarkably good answers against the expected results. We show that this quantum model of a perceptron can be used as an elementary nonlinear classifier of simple patterns, as a first step towards practical training of artificial quantum neural networks to be efficiently implemented on near-term quantum processing hardware.
Quantum classical hybrid neural networks for continuous variable prediction
Within this decade, quantum computers are predicted to outperform conventional computers in terms of processing power and have a disruptive effect on a variety of business sectors. It is predicted that the financial sector would be one of the first to benefit from quantum computing both in the short and long terms. In this research work we use Hybrid Quantum Neural networks to present a quantum machine learning approach for Continuous variable prediction.
Quantum simulation of generic spin exchange models in Floquet-engineered Rydberg atom arrays
Although quantum simulation can give insight into elusive or intractable physical phenomena, many quantum simulators are unavoidably limited in the models they mimic. Such is also the case for atom arrays interacting via Rydberg states - a platform potentially capable of simulating any kind of spin exchange model, albeit with currently unattainable experimental capabilities. Here, we propose a new route towards simulating generic spin exchange Hamiltonians in atom arrays, using Floquet engineering with both global and local control. To demonstrate the versatility and applicability of our approach, we numerically investigate the generation of several spin exchange models which have yet to be realized in atom arrays, using only previously-demonstrated experimental capabilities. Our proposed scheme can be readily explored in many existing setups, providing a path to investigate a large class of exotic quantum spin models.
Quantum Policy Iteration via Amplitude Estimation and Grover Search -- Towards Quantum Advantage for Reinforcement Learning
We present a full implementation and simulation of a novel quantum reinforcement learning method. Our work is a detailed and formal proof of concept for how quantum algorithms can be used to solve reinforcement learning problems and shows that, given access to error-free, efficient quantum realizations of the agent and environment, quantum methods can yield provable improvements over classical Monte-Carlo based methods in terms of sample complexity. Our approach shows in detail how to combine amplitude estimation and Grover search into a policy evaluation and improvement scheme. We first develop quantum policy evaluation (QPE) which is quadratically more efficient compared to an analogous classical Monte Carlo estimation and is based on a quantum mechanical realization of a finite Markov decision process (MDP). Building on QPE, we derive a quantum policy iteration that repeatedly improves an initial policy using Grover search until the optimum is reached. Finally, we present an implementation of our algorithm for a two-armed bandit MDP which we then simulate.
Machine Learning in the Quantum Age: Quantum vs. Classical Support Vector Machines
This work endeavors to juxtapose the efficacy of machine learning algorithms within classical and quantum computational paradigms. Particularly, by emphasizing on Support Vector Machines (SVM), we scrutinize the classification prowess of classical SVM and Quantum Support Vector Machines (QSVM) operational on quantum hardware over the Iris dataset. The methodology embraced encapsulates an extensive array of experiments orchestrated through the Qiskit library, alongside hyperparameter optimization. The findings unveil that in particular scenarios, QSVMs extend a level of accuracy that can vie with classical SVMs, albeit the execution times are presently protracted. Moreover, we underscore that augmenting quantum computational capacity and the magnitude of parallelism can markedly ameliorate the performance of quantum machine learning algorithms. This inquiry furnishes invaluable insights regarding the extant scenario and future potentiality of machine learning applications in the quantum epoch. Colab: https://t.ly/QKuz0
A Quantum Algorithm for Solving Linear Differential Equations: Theory and Experiment
We present and experimentally realize a quantum algorithm for efficiently solving the following problem: given an Ntimes N matrix M, an N-dimensional vector emph{b}, and an initial vector emph{x}(0), obtain a target vector emph{x}(t) as a function of time t according to the constraint demph{x}(t)/dt=Memph{x}(t)+emph{b}. We show that our algorithm exhibits an exponential speedup over its classical counterpart in certain circumstances. In addition, we demonstrate our quantum algorithm for a 4times4 linear differential equation using a 4-qubit nuclear magnetic resonance quantum information processor. Our algorithm provides a key technique for solving many important problems which rely on the solutions to linear differential equations.
Quantum circuit synthesis of Bell and GHZ states using projective simulation in the NISQ era
Quantum Computing has been evolving in the last years. Although nowadays quantum algorithms performance has shown superior to their classical counterparts, quantum decoherence and additional auxiliary qubits needed for error tolerance routines have been huge barriers for quantum algorithms efficient use. These restrictions lead us to search for ways to minimize algorithms costs, i.e the number of quantum logical gates and the depth of the circuit. For this, quantum circuit synthesis and quantum circuit optimization techniques are explored. We studied the viability of using Projective Simulation, a reinforcement learning technique, to tackle the problem of quantum circuit synthesis for noise quantum computers with limited number of qubits. The agent had the task of creating quantum circuits up to 5 qubits to generate GHZ states in the IBM Tenerife (IBM QX4) quantum processor. Our simulations demonstrated that the agent had a good performance but its capacity for learning new circuits decreased as the number of qubits increased.
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.
Blueprint for a Scalable Photonic Fault-Tolerant Quantum Computer
Photonics is the platform of choice to build a modular, easy-to-network quantum computer operating at room temperature. However, no concrete architecture has been presented so far that exploits both the advantages of qubits encoded into states of light and the modern tools for their generation. Here we propose such a design for a scalable and fault-tolerant photonic quantum computer informed by the latest developments in theory and technology. Central to our architecture is the generation and manipulation of three-dimensional hybrid resource states comprising both bosonic qubits and squeezed vacuum states. The proposal enables exploiting state-of-the-art procedures for the non-deterministic generation of bosonic qubits combined with the strengths of continuous-variable quantum computation, namely the implementation of Clifford gates using easy-to-generate squeezed states. Moreover, the architecture is based on two-dimensional integrated photonic chips used to produce a qubit cluster state in one temporal and two spatial dimensions. By reducing the experimental challenges as compared to existing architectures and by enabling room-temperature quantum computation, our design opens the door to scalable fabrication and operation, which may allow photonics to leap-frog other platforms on the path to a quantum computer with millions of qubits.
KANQAS: Kolmogorov-Arnold Network for Quantum Architecture Search
Quantum architecture Search (QAS) is a promising direction for optimization and automated design of quantum circuits towards quantum advantage. Recent techniques in QAS emphasize Multi-Layer Perceptron (MLP)-based deep Q-networks. However, their interpretability remains challenging due to the large number of learnable parameters and the complexities involved in selecting appropriate activation functions. In this work, to overcome these challenges, we utilize the Kolmogorov-Arnold Network (KAN) in the QAS algorithm, analyzing their efficiency in the task of quantum state preparation and quantum chemistry. In quantum state preparation, our results show that in a noiseless scenario, the probability of success is 2 to 5 times higher than MLPs. In noisy environments, KAN outperforms MLPs in fidelity when approximating these states, showcasing its robustness against noise. In tackling quantum chemistry problems, we enhance the recently proposed QAS algorithm by integrating curriculum reinforcement learning with a KAN structure. This facilitates a more efficient design of parameterized quantum circuits by reducing the number of required 2-qubit gates and circuit depth. Further investigation reveals that KAN requires a significantly smaller number of learnable parameters compared to MLPs; however, the average time of executing each episode for KAN is higher.
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.
Explicit gate construction of block-encoding for Hamiltonians needed for simulating partial differential equations
Quantum computation is an emerging technology with important potential for solving certain problems pivotal in various scientific and engineering disciplines. This paper introduces an efficient quantum protocol for the explicit construction of the block-encoding for an important class of Hamiltonians. Using the Schrodingerisation technique -- which converts non-conservative PDEs into conservative ones -- this particular class of Hamiltonians is shown to be sufficient for simulating any linear partial differential equations that have coefficients which are polynomial functions. The class of Hamiltonians consist of discretisations of polynomial products and sums of position and momentum operators. This construction is explicit and leverages minimal one- and two-qubit operations. The explicit construction of this block-encoding forms a fundamental building block for constructing the unitary evolution operator for this Hamiltonian. The proposed algorithm exhibits polynomial scaling with respect to the spatial partitioning size, suggesting an exponential speedup over classical finite-difference methods. This work provides an important foundation for building explicit and efficient quantum circuits for solving partial differential equations.
