Today's papers in quantum computing reveal a field grappling with fundamental constraints on near-term devices while pursuing theoretical separations and practical engineering solutions. A dominant theme is the tension between expressivity and trainability: variational quantum algorithms face barren plateaus when circuits grow expressive enough to avoid classical simulation, yet shallow circuits struggle to capture complex distributions, a problem explored through dynamical Lie algebra theory for QAOA, double-descent phenomena in parameterized circuits, and representational separations between unitary and stochastic shallow models. Error correction and calibration emerge as critical bottlenecks, with new work establishing self-calibrating fault tolerance via online optimization of syndrome measurements and machine-learned post-selection to improve logical error rates without decoder-level information. A second cluster addresses the engineering gap between theory and hardware: LLM agents are being deployed to automate compilation pipelines for trapped-ion and neutral-atom systems, generate quantum error-correcting codes co-designed with decoders, and design quantum reservoir architectures, demonstrating that frontier language models can produce working, competitive code without manual algorithmic engineering, though human validation remains essential for scientific validity. Hybrid quantum-classical approaches dominate the machine-learning applications, with results showing that late fusion in circuit-cut QNNs matches full reconstruction at exponentially lower cost, adaptive non-local observables improve multivariate time-series forecasting, and neural quantum states with annealed gradient descent reach chemical accuracy, yet systematic benchmarking reveals no demonstrated advantage over classical baselines at present scale, and careful hyperparameter matching shows quantum conditional Boltzmann machines remain statistically indistinguishable from their classical counterparts. Finally, information-theoretic foundations are being refined through minimum-change principles for quantum measurement design, quantum random-access codes applied to post-training quantization, and unconditional separations between shallow quantum circuits and bounded-resource language models in both sampling and functional regimes.
Cole Brennan
Showing of papers
One-bit post-training quantization represents each weight using only its sign, requiring all deployment contexts to share the same binary weight matrix even when their activation statistics favor different sign patterns. We study this shared-sign constraint and introduce Quantum Random Access Quantization (QRAQ). This framework encodes context-dependent signs in a quantum random-access code and retrieves them via context-matched Pauli measurements. Under an explicit fresh-copy logical readout model, QRAQ produces an unbiased, context-specific binary surrogate with a tractable shot-noise penalty. We prove a row-wise separation from shared-sign one-bit PTQ with signed per-row scales. When the optimal context-wise signs are incompatible, QRAQ achieves a strictly lower ideal reconstruction risk. We also derive finite-shot and calibrated-noise conditions under which this separation is retained. Fixed-readout quantum schemes are classically simulable, so the relevant resource in this model is measurement incompatibility rather than quantization alone. Finally, we characterize the role of scale granularity, provide finite-sample certificates, and evaluate the predicted ideal, finite-shot, noisy, and multi-context regimes in simulator experiments.
Circuit cutting lets a large quantum neural network (QNN) run as independent subcircuits on small devices, but rebuilding its outputs by reconstruction carries a classical sampling overhead exponential in the number of cuts - the dominant runtime cost in prior work. We ask whether, for machine-learning tasks, this step is necessary, and replace it with late fusion: each subcircuit is trained and measured independently, and a small classical head combines their outputs - a linear-cost, decision-level combination borrowed from multimodal learning. To characterize the trade-off we introduce a quantumness dial $Q$, a tunable reconstruction budget interpolating from pure fusion to full reconstruction, and a cut-entanglement diagnostic that indicates how much reconstruction a task needs (Spearman $ρ=0.59$ over $104$ runs). Across synthetic and standard datasets, independently trained late fusion matches full reconstruction accuracy within $0.04$ at every point of the controlled sweep and on every classical benchmark, at exponentially lower cost; it is also markedly more robust to shot and device noise. Controlled entangled-data experiments locate the boundary where fusion must fail. We do not claim advantage over classical machine learning - consistent with recent benchmarking, quantum offers no accuracy edge on these datasets. Late fusion is thus an efficient, noise-robust, self-characterizing alternative to reconstruction for circuit-cutting QML.
Quantum error correction protects logical information only when every physical operation remains below the fault-tolerance threshold, a condition that must be maintained continuously rather than only at the initial calibration. In practice, however, analog control parameters inevitably drift because of environmental fluctuations. As future fault-tolerant quantum computations are expected to run for days or even months, interrupting computation for repeated recalibration becomes fundamentally impractical. A promising alternative is to integrate calibration directly into computation by repurposing syndrome measurements as a calibration signal (Sivak et al, Nature 2026), but whether such self-calibration can be achieved with provable efficiency remains an open question. Here we establish a theoretical framework for self-calibrating quantum fault tolerance. We prove that, for a broad class of control-induced errors, the detection rate defines a locally strongly convex surrogate objective for analog calibration with high probability. This geometric property enables efficient online optimization using only syndrome measurements collected during normal error correction. We prove convergence to an $\varepsilon$ detection rate within $O(1/\varepsilon^2)$ epochs for time-independent drifts and also establish guarantees for time-dependent drifts. We further show that the convergence rate is independent of the code distance for quantum low-density parity-check (LDPC) codes. Pulse-level simulations of neutral-atom arrays and large-scale circuit-level Clifford simulations confirm these theoretical predictions. Our results establish self-calibrating fault tolerance as a provably efficient paradigm in which the same syndrome measurements simultaneously protect logical information and stabilize the underlying hardware.
The minimum change principle provides an information-theoretic characterization of the Bayes reversal channel in classical probability theory and has recently been proposed as a framework for extending Bayes' rule to quantum information theory. Using quantum relative entropy, we investigate a minimum change principle for the setting of quantum statistical inference. Specifically, we consider a forward process based on a classical-to-quantum preparation channel and a reverse process based on a quantum-to-classical measurement channel. We establish a closed-form characterization of measurements that are optimal for this principle, and this optimal measurement can be found via a dual formulation involving a single unconstrained Hermitian variable. This perspective allows us to recover some notable measurements within the same framework, including pretty good measurements and Fermi-Dirac thermal measurements, and we use it to discover a novel family that we call softmin thermal measurements. We further show that softmin thermal measurements arise as optimal solutions to entropy-regularized semidefinite optimization problems, demonstrating that they play a role for measurements analogous to that of thermal states in statistical mechanics. Finally, we prove an additivity property for the relative-entropy minimum change principle and investigate the performance of Fermi-Dirac thermal measurements for quantum hypothesis testing.
The dynamical Lie algebraic (DLA) theory of variational quantum algorithms (VQAs) predicts commonplace exponentially vanishing loss and gradient variances for sufficiently deep parametrized circuits. In this work, we show that these predictions fail dramatically in the shallow-circuit (and particularly constant-depth) regime for the Quantum Approximate Optimization Algorithm (QAOA) applied to the maximum independent set (MIS) problem. In a large-scale numerical study across $\sim$23,000 problem instances, we find that barren plateaus are rare, while landscapes whose variances polynomially increase with system size---which we term "cragged terrains"---are common across graph families. This aggregate polynomial growth persists both for generic, low-symmetry random graphs and for highly symmetric vertex-transitive graphs, indicating that DLA-based variance predictions do not describe landscape scaling in this regime. As a stopgap alternative to the theory, we train empirical hardness models to predict instance-wise hardness metrics for QAOA-MIS. While these models generalize poorly, they nonetheless recover the correct landscape scaling class (barren plateau vs. cragged terrain) with high fidelity. Taken together, our results identify shallow QAOA for MIS as a prototypical setting in which asymptotic, unitary-design-centric predictions may be fundamentally insufficient to describe shallow variational quantum algorithms more broadly, emphasizing the need for more empirically-informed models of VQA loss landscapes.
Understanding the effectiveness of quantum compilation techniques requires visibility into the entire transpilation process, not just the final circuit metrics. This demonstration presents an MLflow-inspired autologging framework for Qiskit that automatically captures compiler provenance, including transpilation stages, pass-level execution data, backend characteristics, compiler configuration, and execution results. The framework extends the QProv provenance model with compiler-specific information and stores the collected data in an MLflow Tracking Server for analysis and visualization. By eliminating manual instrumentation, the proposed approach improves compiler observability and supports reproducible evaluation of quantum compilation workflows.
Near-term quantum hardware limits circuit depth and often imposes geometrically local connectivity for quantum generative models, restricting the output distributions accessible to shallow unitary Born models. Introducing stochasticity into a unitary quantum Born model can improve the empirical generative performance of the resulting channel model and, for a restricted small-scale architecture, has been proven to represent a strictly larger family of distributions than its unitary counterpart. However, whether such randomness provides a provable separation at fixed shallow depth for arbitrarily large systems has remained open. Here, we show that shared classical randomness, a comparatively weak resource from entanglement theory, is sufficient to establish such a strict scalable representational separation over the corresponding shallow unitary Born model. More specifically, we augment bounded-connectivity shallow unitary circuits, followed by computational-basis measurements, with spatially separated local Pauli operations, whose joint application is controlled by a single classically sampled random bit. The resulting shallow-depth channel model generates long-range correlations in the classical output distribution that no purely unitary shallow-depth model with bounded connectivity can reproduce. For one-dimensional nearest-neighbour architectures, reproducing such distributions with a purely unitary model can require depth $Ω(N)$ in the worst case. We further show that measurement-based quantum computation (MBQC) provides a natural implementation of the required shared classical randomness through suitable adaptation of the random measurement outcomes. Numerical experiments on MBQC-based generative models support the analytical results.
Reinforcement learning is a subfield of machine learning that studies how an agent interacts with an environment in order to extract as large a reward as possible. A standard approach to study such interaction is through Markov Decision Processes (MDPs) and the task of choosing an optimal policy --- a function that tells the agent which action to take. In this work, we study two types of MDPs --- finite-horizon and infinite-horizon discounted --- and propose new quantum algorithms for computing approximate optimal policies. Our quantum algorithms are based on a new combination of standard value iteration and quantum subroutines like quantum mean estimation and quantum maximum finding, overall enhanced with techniques from sample-optimal classical algorithms. Our resulting query complexities improve upon previous works, thus approaching already established quantum lower bounds.
Current quantum programs are mainly designed at the level of quantum gates acting on individual qubits; on a large scale and for complex problems this may involve a high cognitive load on the programmer, making the program specification nontrivial and error-prone. In this context, providing quantum programming with higher abstraction mechanisms will assist in making this task more manageable and robust against design errors. In this work, a conceptual framework is addressed following the notion of the whole quantum computation as a structure composed of quantum registers representing each an undivided entity. Thus, computation progresses through semantically well-defined transformations that act on, or entangle, quantum registers, thereby modifying the global state. Ultimately, the program reaches the desired state by following a specific composition strategy. With this in mind, high-level syntax is presented through an algebraic formalism that bridges them with their low-level semantics. Proposed syntax is based on certain well-know operations used on quantum algorithms that apply phase shifts upon logical condition satisfaction or leverage on parallel evaluation. Based solely on the formalized operations, a quantum satisfiability modulo theories (SMT) solver can be designed. At its core, this work contributes to establishing some methodological principles towards realizing a high-level quantum structured programming.
Modern large language models - transformers and diffusion language models - are built around two canonical algorithmic tasks: prediction and generation. We prove unconditional separations between low-depth quantum computation and the corresponding bounded-resource classical language-model architectures in both regimes. Concretely, we exhibit the following: 1. Distributional separation. We give a distribution that is sampleable by $\textsf{QNC}^0$ circuits (i.e., a family of constant-depth quantum circuits consisting of bounded fan-in gates) that no constant-round diffusion language model ($\textsf{DLM}$) with shallow scheduling and denoising can sample within constant distance, even when allowed sublinear chain-of-thought and output-token revision/remasking events, the very features modern $\textsf{DLM}$s rely on. 2. Functional separation. We exhibit a function computable in $\land \circ \textsf{QNC}^0[\log\log n]$ (i.e., a family of O$(\log\log n)$-depth $\textsf{QNC}^0$ circuits, where $n$ is the input length, followed by a single classical $\mathsf{AND}$ gate) such that any constant-depth decoder-only transformer computing the function must be large: it would have to have width $n^{Ω(1)}$. Together, our work initiates the study of quantum advantage in the era of large language models.
Artificial intelligence has been transformed by deep neural networks, yet the search for new learning architectures continues. Quantum machine learning offers one such direction, and hybrid quantum neural networks, which combine classical neural-network components with quantum information processing units, have emerged as a practical framework for near-term quantum technologies. However, the rapid development of the field across diverse architectures, benchmarks and hardware assumptions makes it difficult to assess the utility of various proposals, identify where genuine advantages may arise, and determine how practitioners can use these models. While recent benchmarks caution that such gains have not yet been demonstrated at scale, theoretical work has identified tasks on which quantum models hold provable advantages, and hybrid approaches have delivered promising results on practical problems using deliberately compact quantum components and substantially fewer trainable parameters. Here, we review hybrid quantum neural networks for the machine-learning and quantum-machine-learning communities. We summarize their main theoretical and methodological foundations, survey some of the most promising architectures developed so far, and examine their implementation challenges and reported performance. By consolidating these perspectives, this review provides a structured view of the state of the field and helps identify promising paths for future research and application-driven development.
Bosonic quantum systems provide a hardware-efficient platform for quantum information processing but remain challenging to characterise due to their large Hilbert space and the high measurement cost of state tomography. Existing approaches estimate the fidelity with respect to a single target state, making them unsuitable for applications in which physically equivalent states differ by phase space translations, rotations, or other transformations. Here, we introduce an adaptive reconstruction technique that estimates the fidelity with respect to a family of bosonic states while reconstructing the underlying Wigner function from a small number of measurements. The method combines a physics-informed parametric model with Bayesian inference, bootstrap, and active learning to iteratively select the most informative phase space sampling points. We implement the approach on a circuit quantum electrodynamics platform and benchmark it on Schrödinger cat states with amplitudes $α\in[1,3]$. The reconstruction yields reproducible fidelity estimates within a few minutes, remains robust to substantial displacements and rotations in phase space despite using a mismatched prior, and is sensitive to subtle state imperfections. We further compare the adaptive strategy with existing Wigner function sampling protocols experimentally, demonstrating the advantage of adaptive sampling for measurement-efficient fidelity estimation with respect to a family of cat states. Finally, we incorporate the reconstructed fidelity into the figure of merit used in a proof-of-principle closed-loop quantum optimal control experiment, demonstrating the applicability of the method to autonomous optimisation of bosonic quantum states.
Sequence models must decide what to write into memory and what to retain. In quantum and quantum-inspired sequence learning, nonlinear recurrent updates often require repeated circuit evaluations and sequential backpropagation through time, making long contexts costly. Gated fast-weight programmers (FWPs) based on quantum-inspired Kolmogorov-Arnold networks (QKANs) alleviate this bottleneck by storing context in time-varying fast parameters. However, their scalar gate applies one retention-write balance to every fast-state coordinate, forcing all parameters to share a memory timescale. We introduce Self-Modulating QKAN-based FWPs, which replace this broadcast gate with low-rank-generated element-wise modulation of the new-proposal branch, a bounded old-state branch, or both. We further propose Complementary Matrix Gating (CMG), which uses one sigmoid matrix gate to retain the old state and its complement to write the new proposal. CMG provides coordinate-wise memory control while preserving the bounded convex update and affine prefix-scan structure of scalar gating, at the modulation-head cost of a single-branch rule. We compare four self-modulating rules with scalar gating across four FWP architectures combining classical and QKAN-based slow and fast programmers. Across seven single-step forecasting benchmarks and five sequence lengths, CMG gives the most consistent improvements for architectures whose fast programmer incorporates a QKAN-based module. In direct multi-step forecasting of Jaynes-Cummings and transmon-resonator dynamics simulated with CUDA-Q Dynamics, CMG models maintain mean-squared errors on the order of 0.001 or lower across forecasting horizons of 4, 8, and 16 steps, while improving on their scalar-gated counterparts by at least 91.2%. These results establish coordinate-wise complementary modulation as a stable and effective update for QKAN-based FWPs.
We implement an agentic AI workflow built around a large language model (LLM) agent for autonomous experiments with nitrogen-vacancy (NV) centers in diamond. NV centers are a widely used platform for quantum sensing, and the ability to control many measurements from a computer makes NV experiments a natural setting for autonomous workflows. We make two main contributions. First, we demonstrate an autonomous NV experiment workflow that combines persistent project records, quantitative calculation and data analysis tools, and deterministic experiment control. In one autonomous experiment, the agent selected a single NV center, calibrated its resonant frequency, measured \(T_2^\ast\) with Ramsey measurements, and added a Carr--Purcell--Meiboom--Gill (CPMG) measurement to check a weak feature that could be related to nearby \(^{13}\mathrm{C}\). Second, we introduce two offline benchmarks that evaluate the agent's reasoning separately from laboratory execution. We evaluated both benchmarks with GPT-5.4, GPT-5.5, and GPT-5.6 Sol. In the Ramsey checkpoint benchmark, greater reasoning effort generally improved recognition of a residual resonance calibration offset. By contrast, in the pulsed optically detected magnetic resonance (pODMR) data evaluation benchmark, pulse sequence information alone produced more false positive resonance judgments at higher reasoning effort. Requiring an expected signal calculation kept false positive rates low across all three models and reasoning settings. The results suggest a clear division of labor for autonomous experiments. The agent forms scientific hypotheses and uses quantitative tools to evaluate data, while deterministic code controls the hardware and enforces safety constraints.
Quantum computers are moving from research laboratories to industrial machines accessible via the cloud and integrated into high-performance computing facilities. However, translating theoretical quantum protocols into hardware experiments remains a major bottleneck, requiring expertise across protocol design, compilation, simulation, and cloud execution. Here, we introduce an agentic workflow that automates this pipeline on neutral-atom quantum processors (here two Pasqal QPUs available on the cloud) while keeping the researcher in the loop for critical validation. In three case studies from many-body physics and optimization, the agent went from published paper or patent to a QPU campaign run overnight. In particular, human intervention was crucial to ensure scientific validity: the agent selected an inadequate observable in one experiment and constructed a plausible but incorrect hardware diagnosis in another, with both failures detected only through domain-expert review. Finally, we use a second agent to classify a corpus of 633 Rydberg-array arXiv papers and show that nearly half are implementable on present-day QPUs while identifying specific hardware upgrades needed for the rest. Together, these results demonstrate that agentic workflows provide a practical bridge between theoretical ideas and physical hardware, opening quantum experimentation to a much broader scientific community.
Quantum error correction (QEC) is indispensable for scalable fault-tolerant quantum computing. However, discovering QEC codes that remain effective is challenging, as logical performance depends on the interplay between code structure, hardware, syndrome extraction, and decoding, which often impose competing requirements. Here we introduce OmniQEC, an efficient AI scientist for discovering QEC codes suited to deployment on modern quantum processors. OmniQEC formulates QEC design as an iterative discovery process in which an orchestrator, implemented by advanced large language models (LLMs), coordinates code generation, code-level screening, syndrome-extraction synthesis, and decoder-based circuit evaluation. At its core, OmniQEC combines a self-evolving reasoning mechanism with a slow--fast synergistic workflow: a fast loop explores candidates using inexpensive code-level proxies, whereas a slow loop performs physically grounded circuit-level evaluation and feeds the resulting evidence back into the search. We evaluate OmniQEC across four qLDPC construction families, three LLM backends, and $14$ total-physical-qubit budgets per backend. The discovered codes show steadily improving logical-error suppression with increasing physical-qubit budgets and outperform the BB codes with $[\![72,12,6]\!]$ and $[\![144,12,12]\!]$ under complete-implementation budgets of 98 and 240 physical qubits, respectively. The discovered codes are hardware-friendly and may be of independent interest for practical QEC implementation. These findings pave the way towards LLM-assisted QEC discovery grounded in physically informed code--circuit--decoder co-design.
In this study, we developed and evaluated four conditional energy-based forecasting architectures: a classical Gaussian-Bernoulli CRBM, a hybrid quantum-classical QCRBM, a full-register QQRBM, and a lag-feature QFeatureQRBM with complete derivations of their conditional distributions, Contrastive-Divergence gradients, and hybrid training, bridging the energy-based formulation and the implementation-level quantum computation. Unlike prior comparisons, our evaluation enforces symmetric hyperparameter optimisation: classical and quantum-specific hyperparameters receive an equally thorough grid search across thirteen structured experiments. We test on two data classes, a Gaussian-process dataset (GP) generated with real financial data and the input-driven NARMA-10 nonlinear benchmark. Across both regimes we find no systematic evidence of a quantum advantage at the available sample size: no quantum architecture improves on the best classical baseline. The fully quantum QQRBM and QFeatureQRBM are significantly worse, whereas the hybrid QCRBM is statistically indistinguishable from the strongest classical CRBM on both datasets. A power analysis bounds this null result: at n = 12 only medium-to-large effects are detectable, so small advantages cannot be excluded. An iso-parameter (matched-budget) comparison reaches the same conclusion: the classical CRBM is lowest at three of the four budgets and no CRBM-vs-QCRBM difference is significant at any budget.
Quantum computers are more widely available than ever, making the field more accessible and widespread. Practitioners are coming from a wide range of domains, conducting experiments and research using quantum computing approaches across a variety of problems. The current literature suggests that developers follow certain methodologies in quantum software development, often with a matching set of tools provided. Yet with the novel paradigm, there are areas that remain unaddressed in practices and tools. In this article, we go into the details of experiment tracking in quantum software development. We explain the basic concept of experiment tracking and detail how, in essence, quantum computing sets demands on tracking practices. Given the experimental state of hardware and the constantly evolving software, quantum execution must be monitored, marginal gains aggregated for the best outcome, and error sources detected. In our case study, quantum reservoir computing for chaotic time series data prediction with error mitigation, we present a detailed quantum software development process and describe how experiments can be tracked throughout development. We then generalize this knowledge into the broader quantum development process.
Multivariate time series forecasting (MTSF) predicts future values of multiple variables from historical data. While quantum neural networks have been increasingly applied to this task, they typically rely on fixed local measurements, which restrict their expressivity. We propose MTSF-ANO, a simple hybrid model for MTSF that integrates variational quantum circuits with adaptive non-local observables (ANO). On the four ETT datasets, MTSF-ANO ranks first or second in MSE in 17 of 20 settings, improving over the strongest baseline by up to 20% on ETTh1, and outperforms or matches its fixed local observable counterpart across all settings. Our ablations show how the quantum circuit design and ANO non-locality affect performance. These results suggest that ANO is a promising direction for quantum time series forecasting.
Variational quantum circuits have been central to many proposed near-term applications of quantum computing, but a growing body of evidence suggests that trainability and quantum advantage are fundamentally at odds: ansätze expressive enough to resist efficient classical simulation tend to exhibit barren plateaus, while structures that provably rule out barren plateaus typically render them classically simulable. We propose a stacked linear combination of unitaries (S-LCU) as a variational ansatz which provides a tunable trade-off between barren plateaus and classical simulability. Using a diagrammatic analysis, we bound the loss-landscape variance of the Free Fermion S-LCU, whose elements are fermionic Gaussian unitaries. We prove a variance lower bound of $Ω(1/(n k^{3l}))$, with a simulation cost of $O(k^{2l} n^3)$ using the best known classical algorithm, compared to a quantum gate complexity of only $O(lkn^2)$. The number of layers $l$ serves as a single dial that trades computational complexity against the rate of cost concentration. This offers practitioners a systematic method for constructing ansätze with a complexity-trainability trade-off that best suits their application and hardware.
Trapped-ion quantum computers rely on shuttling compilers, which cast an input algorithm into a sequence of ion-qubit movements within a given architecture. We present the first study in which a single frontier large language model (LLM), Claude Opus 4.7, generates and iteratively refines the full Python code of shuttling compilers from written specifications. We start with a compiler for (i) a linear segmented trap, extend it to (ii) a trap with junctions, and finally achieve efficient compilation for (iii) a broad class of connected trap graphs. The compilers for the more general cases are seeded with code from the previous ones. We benchmark the LLM-generated compilers against state-of-the-art hand-crafted ones using a common suite of quantum circuits. The number of shuttling timesteps is reduced by up to 76% for (i) and up to 39% for (ii). For the broad case (iii) of freely connected architectures, we find large variations in the required number of shuttling timesteps, depending on the connectivity. A densely connected, junction-rich architecture yields an order-of-magnitude reduction in shuttling timesteps compared to a corridor-like one. Repeating the complete generation and evaluation with a second frontier LLM, Claude Fable 5, reproduces these findings, with the Fable 5 compilers surpassing the hand-crafted ones more often on the largest circuits. Our results show that an unmodified frontier LLM can produce working, correct, and competitive shuttling compilers without additional manual algorithmic engineering, thus reducing the development time for new architectures from several months to a few days.
Sample-based Quantum Diagonalization (SQD), an extension of Quantum Selected Configuration Interaction (QSCI), has emerged as a promising hybrid quantum-classical paradigm for computing molecular ground state energies. By leveraging quantum sampling instead of variational optimization, QSCI avoids barren plateaus and enables direct reconstruction of correlated electronic wavefunctions. However, existing configuration recovery techniques primarily enforce symmetry constraints without guaranteeing optimal selection of the most physically relevant configurations, often leading to unnecessarily large subspaces and increased classical diagonalization costs. In this work, we introduce a machine-learned compact subspace generation protocol based on Restricted Boltzmann Machines (RBMs), termed QSCI-RBM, and integrate it within the Density Matrix Embedding Theory (DMET) framework. The RBM is trained on quantum-sampled configurations to learn the underlying probability distribution of dominant determinants, enabling the targeted generation of high-probability configurations. We apply this framework to the simulation of a protein-ligand complex involving the inhibitor Carmofur bound to the SARS-CoV-2 main protease ($M^{\text{pro}}$). Our results demonstrate that DMET-QSCI-RBM achieves energies within the chemical accuracy threshold by accessing only approximately 4% of the configuration subspace. In contrast, standard DMET-SQD simulations failed to reach chemical accuracy while accessing up to 20% of the subspace, even as the chemical potential itself nearly converged. These findings highlight that RBM-assisted configuration generation produces significantly more compact subspaces while preserving physical accuracy, thereby reducing classical computational overhead and enabling the scalable quantum embedding simulation of complex biological systems.
Quantum Phase Estimation (QPE) is a foundational algorithm for molecular ground-state energy estimation, but its deep circuit requirements make direct hardware execution impractical on Noisy Intermediate-Scale Quantum (NISQ) devices. We present an analytically grounded variational surrogate framework in which a shallow Variational Quantum Circuit (VQC) is trained to reproduce the QPE measurement distribution without any quantum circuit simulation. The training target is computed entirely classically via the Dirichlet kernel, evaluated directly from the Full Configuration Interaction (FCI) ground-state energy, the ancilla qubit count, and the time evolution parameter, eliminating the exponentially scaling simulation bottleneck of prior surrogate approaches. We apply this framework to the hydrogen molecule (H$_2$) with a symmetry-tapered Hamiltonian, conducting a four-stage experimental investigation on IBM Quantum hardware. Stage 1 compares linear and full entangler topologies for the $R_Y$-$R_Z$-$CZ$ ansatz, with and without XpXm Dynamical Decoupling (DD), across four distributional metrics (Hellinger distance, fidelity error, total variation distance, Jensen-Shannon divergence), identifying the linear entangler as optimal. Stage 2 varies VQC layers ($p=1$ to $5$) for the linear-entangler ansatz, identifying single-layer depth as optimal under hardware noise. Stage 3 applies this configuration to the reduced $R_Y$-$CZ$ ansatz, comparing ideal and noisy simulator-trained parameters. A supplementary noise analysis at $p \in \{8,64\}$ characterizes the depth-dependent interplay between circuit depth and DD effectiveness. The framework enables faithful QPE mimicry using a linearly scaling VQC, recovering the ground-state energy within the chemical accuracy threshold (1 kcal/mol), constituting a scalable, hardware-efficient paradigm for QPE-based molecular energy estimation on NISQ devices.
In this work, a quantum architecture search framework for approximate quantum state preparation (QSP) is proposed. QSP is a challenging task, since the search space grows exponentially with the number of qubits, making the identification of the optimal circuit non-trivial. To address this problem, deep reinforcement learning is employed through an agent based on proximal policy optimization. The objective of the agent is to identify the best possible approximation of the target state while simultaneously minimizing the number of gates used. At each step, the agent appends a new gate to the circuit and recomputes the fidelity between the approximated state and the target states. Various experiments have been performed from 2 to 5 qubits. Both predefined states, such as Bell, GHZ, W, and Dicke states, and completely random states are considered. The proposed framework is able to achieve approximation errors of $10^{-14}$.
A central challenge in quantum machine learning is understanding the scaling behavior of parameterized quantum circuits (PQCs). In particular, it remains unclear how their performance on unseen data changes as the number of trainable parameters increases. Prior works have derived formal generalization guarantees for quantum models, but it is well-known that many such results do not fully characterize generalization behavior in practice. In this work, we show that gradient-based PQCs can exhibit improved performance on unseen data as model size increases, displaying the phenomenon of double descent. This contrasts with the traditional view that larger models lead to degraded generalization. We provide analytical results rigorously underpinning this behavior by leveraging add-one-in perturbation techniques and spectral properties of random matrices. We support these results with numerical experiments on re-uploading PQCs across several data sets and training set sizes, consistently observing the predicted double descent behavior. While other obstacles on the path toward practical quantum machine learning remain, our finding that deeper parameterized quantum circuits do not necessarily exhibit degraded performance provides reasons for cautious optimism.
Neural quantum states offer expressive representations of quantum many-body wave functions, yet their practical accuracy can be limited by stochastic optimization rather than representational capacity. Here we identify a finite-sample instability, termed subspace trapping, in which physically important configurations become strongly underestimated, remain absent from successive sampling batches and receive insufficient gradient feedback. This self-reinforcing loss of sampled support can confine optimization to an effective subspace and produce apparently stationary states above the true ground state energy. To address this problem, we introduce annealed gradient descent (AGD), a sampling-aware update with annealing factor that temporarily increases the relative contribution of sampled low-probability configurations while limiting the dominance of high-probability ones. We establish the connection between finite-sample support loss and effective subspace optimization, and then evaluate the method across molecular systems, one and two-dimensional $J_1$-$J_2$ models. Annealed gradient descent suppresses metastable trapping, preserves physically relevant configurations and enables compact neural quantum states to attain chemical accuracy and competitive state-of-the-art performance. These results establish AGD as a lightweight complement to expressive neural architectures, improved sampling strategies for scalable quantum many-body optimization.
Quantum reservoir computing (QRC) uses fixed quantum dynamics as a high-dimensional temporal feature map and trains only a lightweight classical readout. QRC is attractive for near-term quantum machine learning, but its performance depends strongly on architecture choices such as input encoding, reservoir depth, entanglement topology, measurement features, state-reset policy, feature construction, and readout regularization. We introduce \method, a simulator-based benchmark that formulates QRC design as constrained black-box architecture search and evaluates whether large language models can act as proposal controllers for this search problem. The benchmark compares five policies under identical evaluation budgets: random search, evolutionary search, Bayesian/TPE optimization, a feedback-based LLM agent, and \hybrid, which combines LLM proposals with memory, mutation, crossover, duplicate avoidance, and exploration. On NARMA10, Mackey-Glass forecasting, and temporal parity, \hybrid{} is the most consistent policy: it ranks first on NARMA10 and temporal parity and second on Mackey-Glass, narrowly behind evolutionary search. Under a 25-evaluation budget and three seeds, \hybrid{} improves over random search on all tasks, including a 23.6\% relative reduction in Mackey-Glass error. The results do not show that LLMs are universal QRC optimizers; rather, they show that generative models can be useful high-level controllers when embedded inside validated, reproducible hybrid search loops.
Quantum error correction can be enhanced by post-selecting out runs that are likely to produce a logical failure, but the most accurate measures for that require costly decoder-level information. We introduce a practical, decoder-agnostic post-selection method that learns directly from syndrome data. The method trains a supervised classifier to distinguish between syndromes from low- and high-noise regimes, and then uses the classifier's output as an abort score for new runs, without requiring logical-error labels, correction operators, or code-specific likelihood calculations. We validate the approach in three complementary settings: circuit-level simulations of the Gross bivariate-bicycle code, code-capacity simulations of the surface code, and experimental logical magic-state distillation data from the QuEra neutral-atom processor. In the Gross and surface codes, learned syndrome post-selection reduces the conditional logical error rate at a fixed acceptance rate, with performance comparable to syndrome-weight filtering. For the surface code, the learned classifier reveals a post-selection transition distinct from the conventional decoding threshold. In the experimental data, the machine-learning score outperforms syndrome-weight post-selection and, when combined with logical-gap filtering, improves the output fidelity beyond using the logical gap alone. These results show that syndrome-only learning provides a scalable and hardware-compatible route to improving the reliability of quantum error correction.
Kernel methods are powerful tools in machine learning but commonly used full-Gram kernels face three key limitations: (1) quadratic scaling with training set size; (2) the use of fixed, non-trainable kernels; and (3) the absence of an intrinsic formulation for multiclass classification. We present McQuack, a trainable quantum kernel method for multiclass problems that achieves linear scaling in the number of training samples. This is accomplished by replacing the full training-set Gram matrix with a trainable sample-to-(class-centroid) fidelity matrix. We evaluate the model in simulation and on 124 qubits of two IBM devices, across more than 150 datasets. In simulation, McQuack outperforms existing "pure" quantum baselines, while results from hardware inference -- obtained without training -- achieve performance similar to an RBF kernel. Finally, we study the trainability of the model and observe no evidence of barren plateaus in our experiments with up to 13 qubits, and highlight the importance of parameter initialization for successful optimization.
Physical noise in near-term quantum hardware is usually treated as a nuisance to suppress. We ask whether it can instead act as a hardware-native regularizer for photonic hybrid quantum-classical neural networks (PHQCNNs), analogous to noise-injection regularization in classical deep learning. Using Quandela's Perceval simulator and the MerLin framework, we build PHQCNNs for Iris, Digits, and MNIST and inject Perceval's seven-parameter physical noise model directly into training. A genetic algorithm searches the six continuous noise dimensions and 1 boolean parameter to find, per dataset, the configuration maximizing validation accuracy, compared against a noiseless baseline across five seeds. GA-tuned noise yields modest accuracy gains on Iris (+0.82pp) and Digits (+1.45pp), but a clear degradation on MNIST (-1.21pp). Per-parameter sweeps show that no individual noise parameter is consistently beneficial, motivating the joint search, while a second-order loss expansion shows that physical noise induces a Tikhonov-like regularization term whose effect is dataset-dependent. Physical photonic noise can thus act as a free regularizer, but not universally.