arXiv subjects

Roger G. Melko

Publications and source records attributed to Roger G. Melko.

At least 19 recordsLinked to original sources

arXiv2026

Do Quantum Models Scale Like LLMs?

In this work, we study the neural scaling laws of RydbergGPT, an autoregressive transformer model trained on qubit projective measurement data gathered from interacting Rydberg atom arrays. The quantum system is known to exhibit a finite-size remnant of a critical point as the laser detuning parameter is varied. We find that near the critical point the transformer loss as a function of training dataset size is well described by a power-law with a loss floor correction. However, away from criticality the quality of the power-law description is substantially reduced. We then compare the statistical structure of both Rydberg measurements and natural-language corpora using an entropy-normalised, finite sample corrected mutual information "two-point" function. We find that near-critical statistics of the two point functions are closest to those observed in natural-language, whilst other qubit configurations far from the critical point have two-point functions that decay more rapidly. This supports the hypothesis that multi-scale dependence contributes to stable neural scaling, and that scaling behaviour should be viewed as a property of the model-data pair.

cs.LG↗

arXiv2026

Private and interpretable clinical prediction with quantum-inspired tensor train models

Publicly available clinical machine learning models pose an underappreciated privacy risk: their parameters or outputs can be exploited to recover information from patients whose data were used during training. Moreover, this risk is exacerbated by models such as logistic regression (LR), which are typically preferred in clinical settings for their transparency. To assess this empirically, we attack LORIS, a publicly available LR model for immunotherapy response prediction hosted on a U.S. government website. From evaluations through its public interface, we recover the model parameters and identify the training cohort with high confidence. More broadly, we design cohort-level membership inference attacks under three levels of adversarial access---binary black-box, continuous black-box, and white-box---and apply them to both LR models and shallow neural networks (NNs) trained on the same task. Our results reveal that even a cohort of 35 patients can be reliably identified within training sets of hundreds to thousands, and that common practices such as cross-validation amplify rather than mitigate this risk. To address these vulnerabilities, we propose a quantum-inspired defense based on tensorizing discretized models into tensor trains (TTs). This representation obfuscates model parameters and preserves accuracy, while offering black-box protection comparable to practical Differential Privacy baselines. Additionally, the TT representations retain LR interpretability and extend it through efficient computation of marginal and conditional distributions, enabling this richer analysis also for black-box models such as NNs. Our results establish tensorization as a practical, post-hoc tool for private, interpretable, and effective clinical prediction.

cs.LG↗

arXiv2026

Distributions of Noisy Expectation Values over Sets of Measurement Operators

Expectation values of measurement operators, interpreted as measurement probabilities, arise frequently throughout quantum algorithms. When quantum states are randomly distributed, their expectation values are also randomly distributed. In this work, with the goal of understanding non-unitary dynamics, we generalize previous derivations for distributions of expectation values [Campos et al., Phys. Lett. A 377, 1854 (2013)] to the case of sets of measurement operators and random mixed quantum states within variable sized environments. Using combinatorics approaches, we derive expressions for their moments. We proceed to construct empirical distributions of simulated Haar random brickwork quantum circuits with local depolarizing noise, and compare their form to a proposed effective global-depolarizing-like model with variable effective noise scales and environment dimensions. The fitted effective distributions reproduce peak behaviour across circuit depths, noise scales, and system sizes, while deviations in the distribution tails arise from local noise effects. The fit effective model parameters are also shown to vary smoothly and consistently with circuit depth and noise scale. Finally, sets of non-symmetric measurement operators are shown to exhibit distinct multi-modal distributions relative to uni-modal distributions for symmetric measurement operators, opening up questions about their simulability.

quant-ph↗

arXiv2026

Quantum phases in endofullerene zigzag chains

We employ large-scale density matrix renormalization group calculations to study the quantum phases of dipolar molecules confined in bent (zigzag) endofullerene chains, as a function of the chain angle $γ$. For LiF, ferroelectric order persists across the full range $60^\circ < γ180^\circ$, with the critical effective dipole moment increasing as the chain bends and parallel alignment becomes less favorable. Near the equilateral configuration ($γ= 60^\circ$), geometric frustration drives a transition to an antiferroelectric Néel-ordered phase in which neighboring dipoles anti-align along the chain axis. We show that capturing this reorientation requires including dipolar couplings beyond the nearest-neighbor approximation, since next-nearest-neighbor interactions become equally strong at $γ= 60^\circ$. For confined water, o-D$_2$O reproduces both ordered phases, whereas p-H$_2$O -- owing to its large rotational constants -- develops no order at any chain angle despite the enhanced coordination of the bent geometry. Because a zigzag chain is the narrowest stripe of a two-dimensional lattice, these results suggest that engineered endofullerene layers could host a rich variety of dipole-ordered quantum phases beyond the ferroelectric ordering observed in previous work.

physics.chem-ph↗

arXiv2026

Superfluidity in the spin-1/2 XY model with power-law interactions

In trapped-ion quantum simulators, effective spin-1/2 XY interactions can be engineered via laser-induced coupling between internal atomic states and collective phonon modes. In the simplest one-dimensional ($1d$) traps, these interactions decay as a power-law with distance $1/r^α$, with a tunable exponent $α$. For small $α$, the resulting long-range $1d$ XY model exhibits continuous symmetry breaking, in marked contrast to its nearest neighbor counterpart. In this paper, we examine this model near the phase transition at $α_c$ from the lens of the spin stiffness, or superfluid density. We develop a stochastic series expansion (SSE) quantum Monte Carlo (QMC) simulation and a generalized winding number estimator to measure the superfluid density in the presence of power-law interactions, which we test against exact diagonalization for small lattice sizes. Our results show how conventional superfluidity in the $1d$ XY model is enhanced in the long-range interacting regime. This is observed as a diverging superfluid density as $α\rightarrow 0$ in the thermodynamic limit, which we show is consistent with linear spin-wave theory. Finally, we define a normalized superfluid density estimator that clearly distinguishes the short, medium, and long-range interacting regimes, providing a novel QMC probe of the critical value $α_c$.

cond-mat.quant-gas↗

arXiv2026

Unlearnable phases of matter

We identify fundamental limitations in machine learning by demonstrating that non-trivial mixed-state phases of matter are computationally hard to learn. Focusing on unsupervised learning of distributions, we show that autoregressive neural networks fail to learn global properties of distributions characterized by locally indistinguishable (LI) states. We demonstrate that conditional mutual information (CMI) is a useful diagnostic for LI: we show that for classical distributions, long-range CMI of a state implies a spatially LI partner. By introducing a restricted statistical query model, we prove that nontrivial phases with long-range CMI, such as strong-to-weak spontaneous symmetry breaking phases, are hard to learn. We validate our claims by using recurrent, convolutional, and Transformer neural networks to learn the syndrome and physical distributions of toric/surface code under bit flip noise. Our findings suggest hardness of learning as a diagnostic tool for detecting mixed-state phases and transitions and error-correction thresholds, and they suggest CMI and more generally ``non-local Gibbsness'' as metrics for how hard a distribution is to learn.

cond-mat.dis-nn↗

arXiv2025

Artificial Intelligence for Quantum Computing

Artificial intelligence (AI) advancements over the past few years have had an unprecedented and revolutionary impact across everyday application areas. Its significance also extends to technical challenges within science and engineering, including the nascent field of quantum computing (QC). The counterintuitive nature and high-dimensional mathematics of QC make it a prime candidate for AI's data-driven learning capabilities, and in fact, many of QC's biggest scaling challenges may ultimately rest on developments in AI. However, bringing leading techniques from AI to QC requires drawing on disparate expertise from arguably two of the most advanced and esoteric areas of computer science. Here we aim to encourage this cross-pollination by reviewing how state-of-the-art AI techniques are already advancing challenges across the hardware and software stack needed to develop useful QC - from device design to applications. We then close by examining its future opportunities and obstacles in this space.

quant-ph↗

arXiv2025

Exploring the Energy Landscape of RBMs: Reciprocal Space Insights into Bosons, Hierarchical Learning and Symmetry Breaking

Deep generative models have become ubiquitous due to their ability to learn and sample from complex distributions. Despite the proliferation of various frameworks, the relationships among these models remain largely unexplored, a gap that hinders the development of a unified theory of AI learning. We address two central challenges: clarifying the connections between different deep generative models and deepening our understanding of their learning mechanisms. We focus on Restricted Boltzmann Machines (RBMs), known for their universal approximation capabilities for discrete distributions. By introducing a reciprocal space formulation, we reveal a connection between RBMs, diffusion processes, and coupled Bosons. We show that at initialization, the RBM operates at a saddle point, where the local curvature is determined by the singular values, whose distribution follows the Marcenko-Pastur law and exhibits rotational symmetry. During training, this rotational symmetry is broken due to hierarchical learning, where different degrees of freedom progressively capture features at multiple levels of abstraction. This leads to a symmetry breaking in the energy landscape, reminiscent of Landau theory. This symmetry breaking in the energy landscape is characterized by the singular values and the weight matrix eigenvector matrix. We derive the corresponding free energy in a mean-field approximation. We show that in the limit of infinite size RBM, the reciprocal variables are Gaussian distributed. Our findings indicate that in this regime, there will be some modes for which the diffusion process will not converge to the Boltzmann distribution. To illustrate our results, we trained replicas of RBMs with different hidden layer sizes using the MNIST dataset. Our findings bridge the gap between disparate generative frameworks and also shed light on the processes underpinning learning in generative models.

cs.LG↗

arXiv2025

Beyond-classical computation in quantum simulation

Quantum computers hold the promise of solving certain problems that lie beyond the reach of conventional computers. However, establishing this capability, especially for impactful and meaningful problems, remains a central challenge. Here, we show that superconducting quantum annealing processors can rapidly generate samples in close agreement with solutions of the Schrödinger equation. We demonstrate area-law scaling of entanglement in the model quench dynamics of two-, three-, and infinite-dimensional spin glasses, supporting the observed stretched-exponential scaling of effort for matrix-product-state approaches. We show that several leading approximate methods based on tensor networks and neural networks cannot achieve the same accuracy as the quantum annealer within a reasonable time frame. Thus, quantum annealers can answer questions of practical importance that may remain out of reach for classical computation.

quant-ph↗

arXiv2025

Leveraging recurrence in neural network wavefunctions for large-scale simulations of Heisenberg antiferromagnets on the square lattice

Machine-learning-based variational Monte Carlo simulations are a promising approach for targeting quantum many-body ground states, especially in two dimensions and in cases where the ground state is known to have a non-trivial sign structure. While many state-of-the-art variational energies have been reached with these methods for finite-size systems, little work has been done to use these results to extract information about the target state in the thermodynamic limit. In this work, we employ recurrent neural networks (RNNs) as a variational ansätze, and leverage their recurrent nature to simulate the ground states of progressively larger systems through iterative retraining. This transfer learning technique allows us to simulate spin-$\frac{1}{2}$ systems on lattices with more than 1,000 spins without beginning optimization from scratch for each system size, thus reducing the demands for computational resources. In this study, we focus on the square-lattice antiferromagnetic Heisenberg model, where it is possible to carefully benchmark our results. We show that we are able to systematically improve the accuracy of the results from our simulations by increasing the training time, and obtain results for finite-sized lattices that are in good agreement with the literature values. Furthermore, we use these results to extract accurate estimates of the ground-state properties in the thermodynamic limit. This work demonstrates that RNN wavefunctions are able to extract accurate information about quantum many-body systems in the thermodynamic limit.

cond-mat.str-el↗

arXiv2025

Leveraging recurrence in neural network wavefunctions for large-scale simulations of Heisenberg antiferromagnets on the triangular lattice

Variational Monte Carlo simulations have been crucial for understanding quantum many-body systems, especially when the Hamiltonian is frustrated and the ground-state wavefunction has a non-trivial sign structure. In this paper, we use recurrent neural network (RNN) wavefunction ansätze to study the triangular-lattice antiferromagnetic Heisenberg model (TLAHM) for lattice sizes up to $30\times30$. In a recent study [M. S. Moss et al. arXiv:2502.17144], the authors demonstrated how RNN wavefunctions can be iteratively retrained in order to obtain variational results for multiple lattice sizes with a reasonable amount of compute. That study, which looked at the sign-free, square-lattice antiferromagnetic Heisenberg model, showed favorable scaling properties, allowing accurate finite-size extrapolations to the thermodynamic limit. In contrast, our present results illustrate in detail the relative difficulty in simulating the sign-problematic TLAHM. We find that the accuracy of our simulations can be significantly improved by transforming the Hamiltonian with a judicious choice of basis rotation. We also show that a similar benefit can be achieved by using variational neural annealing, an alternative optimization technique that minimizes a pseudo free energy. Ultimately, we are able to obtain estimates of the ground-state properties of the TLAHM in the thermodynamic limit that are in close agreement with values in the literature, showing that RNN wavefunctions provide a powerful toolbox for performing finite-size scaling studies for frustrated quantum many-body systems.

cond-mat.str-el↗

arXiv2025

Autoregressive Typical Thermal States

A variety of generative neural networks recently adopted from machine learning have provided promising strategies for studying quantum matter. In particular, the success of autoregressive models in natural language processing has motivated their use as variational ansätze, with the hope that their demonstrated ability to scale will transfer to simulations of quantum many-body systems. In this paper, we introduce an autoregressive framework to calculate finite-temperature properties of a quantum system based on the imaginary-time evolution of an ensemble of pure states. We find that established approaches based on minimally entangled typical thermal states (METTS) have numerical instabilities when an autoregressive recurrent neural network is used as the variational ansätz. We show that these instabilities can be mitigated by evolving the initial ensemble states with a unitary operation, along with applying a threshold to curb runaway evolution of ensemble members. By comparing our algorithm to exact results for the spin 1/2 quantum XY chain, we demonstrate that autoregressive typical thermal states are capable of accurately calculating thermal observables.

quant-ph↗

arXiv2025

Probing Defects with Quantum Simulator Snapshots

Snapshots, i.e. projective measurements of local degrees of freedom, are the most standard data taken in experiments on quantum simulators. Snapshots are usually used to probe local physics. In this work we propose a simple protocol to experimentally probe physics of defects with these snapshots. Our protocol relies only on snapshots from the bulk system, without introducing the defect explicitly; as such, the physics of different kinds of defects can be probed using the same dataset. In particular, we demonstrate that with snapshots of local spin configurations of, for example, the $1d$ Rydberg atom realization of the quantum Ising criticality, we can (1) extract the ``defect entropy", and (2) access the continuous line of fixed points of effective defect conformal field theory, which was recently discussed in the context of the ``weak-measurement altered criticality".

quant-ph↗

arXiv2025

Experimental online quantum dots charge autotuning using neural networks

Spin-based semiconductor qubits hold promise for scalable quantum computing, yet they require reliable autonomous calibration procedures. This study presents an experimental demonstration of online single-dot charge autotuning using a convolutional neural network integrated into a closed-loop calibration system. The autotuning algorithm explores the gates' voltage space to localize charge transition lines, thereby isolating the one-electron regime without human intervention. This exploration leverages the model's uncertainty estimation to find the appropriate gate configuration with minimal measurements while reducing the risk of failures. In 20 experimental runs, our method achieved a success rate of 95% in locating the target electron regime, highlighting the robustness of this approach against noise and distribution shifts from the offline training set. Each tuning run lasted an average of 2 hours and 9 minutes, primarily due to the limited speed of the current measurement. This work validates the feasibility of machine learning-driven real-time charge autotuning for quantum dot devices, advancing the development toward the control of large qubit arrays.

cond-mat.mes-hall↗

arXiv2025

The Economics of an Open-Source Quantum Computer

Open-source projects that aim to make their offerings public have competed against for-profit, proprietary companies in a number of domains. These open-source projects often arise in response to the offerings of proprietary companies in markets where products have already been commercialized. We assess what impact an open-source project might have when it enters the market for quantum computing - a market where the core technology is still being developed. We argue that an open-source quantum computer might alleviate market frictions that have impeded the development of a fault-tolerant quantum computer by providing the market with a possible mechanism for: 1.) benchmarking, 2.) the development of hardware agnostic technology, and 3.) improved liquidity on the supply side of the market for labor. Should these outcomes be realized, they may not only benefit the open-source project, but also the for-profit, proprietary companies operating in the ecosystem. In this respect, an open-source quantum project may play a more complementary role to the proprietary firms in the ecosystem, rather than a more competitive role. Our collective insights may have implications for other settings where an open-source project enters into a market where the core technology has yet to be commercialized.

quant-ph↗

arXiv2025

Neural network enhanced cross entropy benchmark for monitored circuits

We explore the interplay of quantum computing and machine learning to advance experimental protocols for observing measurement-induced phase transitions (MIPT) in quantum devices. In particular, we focus on trapped ion monitored circuits and apply the cross entropy benchmark recently introduced by [Li et al., Phys. Rev. Lett. 130, 220404 (2023)], which can mitigate the post-selection problem. By doing so, we reduce the number of projective measurements -- the sample complexity -- required per random circuit realization, which is a critical limiting resource in real devices. Since these projective measurement outcomes form a classical probability distribution, they are suitable for learning with a standard machine learning generative model. In this paper, we use a recurrent neural network (RNN) to learn a representation of the measurement record for a native trapped-ion MIPT, and show that using this generative model can substantially reduce the number of measurements required to accurately estimate the cross entropy. This illustrates the potential of combining quantum computing and machine learning to overcome practical challenges in realizing quantum experiments.

quant-ph↗

arXiv2024

Robust quantum dots charge autotuning using neural network uncertainty

This study presents a machine-learning-based procedure to automate the charge tuning of semiconductor spin qubits with minimal human intervention, addressing one of the significant challenges in scaling up quantum dot technologies. This method exploits artificial neural networks to identify noisy transition lines in stability diagrams, guiding a robust exploration strategy leveraging neural networks' uncertainty estimations. Tested across three distinct offline experimental datasets representing different single quantum dot technologies, the approach achieves over 99% tuning success rate in optimal cases, where more than 10% of the success is directly attributable to uncertainty exploitation. The challenging constraints of small training sets containing high diagram-to-diagram variability allowed us to evaluate the capabilities and limits of the proposed procedure.

quant-ph↗

arXiv2024

End-to-end variational quantum sensing

Harnessing quantum correlations can enable sensing beyond the classical limits of precision, with the realization of such sensors poised for transformative impacts across science and engineering. Real devices, however, face the accumulated impacts of noise effects, architecture constraints, and finite sampling rates, making the design and success of practical quantum sensors challenging. Numerical and theoretical frameworks that support the optimization and analysis of imperfections from one end of a sensing protocol through to the other (i.e., from probe state preparation through to parameter estimation) are thus crucial for translating quantum advantage into widespread practice. Here, we present an end-to-end variational framework for quantum sensing protocols, where parameterized quantum circuits and neural networks form trainable, adaptive models for quantum sensor dynamics and estimation, respectively. The framework is general and can be adapted towards arbitrary qubit architectures, as we demonstrate with experimentally-relevant ansätze for trapped-ion and photonic systems, and enables to directly quantify the impacts that noisy state preparation/measurement and finite data sampling have on parameter estimation. End-to-end variational frameworks can thus underpin powerful design and analysis tools for realizing quantum advantage in practical, robust sensors.

quant-ph↗