Quantum Machine Learning

We investigate Gaussian process (GP) bandit optimization with quantum kernels, assuming the mean reward function lies in the reproducing kernel Hilbert space (RKHS) induced by the quantum kernel. This setting is motivated by NISQ-era tasks such as quantum control, state preparation and variational quantum algorithms. While quantum kernels can offer a `quantum advantage' via domain-specific inductive biases, naïvely using full, high-dimensional kernels increases model complexity and information gain, leading to higher cumulative regret and poor learnability. To address this, we propose projected quantum kernels and classical kernel approximation techniques that reduce feature dimensionality while preserving key quantum properties. Using these approximate kernels, we develop misspecified GP bandit algorithms and derive regret bounds that characterize the trade-off between approximation error and information gain. The regret bounds provide principled guidance for selecting the optimal model complexity. Empirically, our methods outperform full quantum kernels in sample efficiency, while substantially reducing computational overhead, enabling scalable GP optimization for quantum-native applications.

Realizing quantum neural networks (QNNs) in industry requires knowing which quantum computing paradigm suits which task. Motivated by AI accelerators and high-bandwidth memory, where die stacking makes wafer-level defect screening central to yield, we study WM-811K wafer-map defect classification (eight classes), comparing the dominant paradigms, continuous-variable (CV) and discrete-variable (DV), under controlled conditions. To isolate the quantum circuit as the sole variable, a shared convolutional backbone (~4.3M parameters) feeds interchangeable heads (classical dense, CV-QNN, or DV-QNN) as the only structural difference; each quantum head is scaled over three sizes (3, 4, 8 qumodes/qubits). The CV head consistently outperforms the DV head: at four qumodes/qubits it reaches 79.7 +/- 1.8% accuracy versus 61.6 +/- 1.4%, a non-overlapping 18-point gap. The advantage is sharpest on the spatially localized Edge-Loc class, easily confused with Scratch, which CV recovers with recall 0.66 +/- 0.06 while DV fails at every size (<=0.05), showing the structured CV layer better captures fine spatial distinctions between defect types. Training curves show the DV limitation is a representational-capacity ceiling, not an optimization failure; at the Fock cutoff used here (d = 2) the CV advantage reflects two intrinsic properties, a structured, neural-network-analogue layer and continuous phase-space encoding, not Hilbert-space dimensionality. On IBM hardware, DV accuracy holds at shallow depth, degrading only at the deepest circuit. Both quantum heads remain below the classical baseline (85.0%), but the controlled setting isolates where a structured head already helps and, as noise and scale improve, which paradigm can deliver practical advantage.

Public lithium-ion battery datasets are increasingly used for state-of-health estimation, remaining-useful-life prediction, anomaly detection, electrochemical diagnostics, second-life analytics, and battery safety research. However, these datasets vary substantially in chemistry, modality, scale, label quality, sequence structure, access status, and preprocessing complexity. These differences directly affect whether a dataset is feasible for near-term hybrid quantum-classical machine-learning workflows. This paper presents IonSense-QKG, a quantum-readiness metadata framework for lithium-ion battery dataset discovery. Starting from the EV-Battery-IonSense index, the proposed framework enriches public battery dataset records with quantum-relevant metadata, including task type, sensing modality, chemistry, label availability, sequence type, preprocessing requirements, candidate quantum encodings, estimated qubit range, and NISQ feasibility. A transparent Quantum Readiness Score is introduced to rank datasets as candidate resources for future hybrid quantum-classical battery benchmarks. The score is intended as a dataset-selection heuristic, not as evidence of quantum advantage. The framework demonstrates query-based discovery over enriched metadata to identify datasets suitable for compact quantum feature maps, quantum time-series workflows, limited-label anomaly detection, and future battery-health benchmarking. The released artifact includes metadata tables, scoring scripts, robustness checks, link-checking utilities, and SQL-style query examples. IonSense-QKG positions dataset selection as a data-management problem and provides a reproducible foundation for data-centric quantum battery analytics.

Artificial intelligence (AI) and quantum information (QI) are rapidly co-evolving. AI is becoming a practical tool for learning, designing, controlling, and verifying quantum systems, while QI offers new computational models, representational structures, and learning-theoretic questions for AI. This survey reviews the interface from both directions. In the AI for QI direction, we organize recent progress around the central tasks of extracting information from limited measurements, training and discovering quantum algorithms, stabilizing noisy hardware, automating experimental and programming workflows, and extending learning-based methods to sensing and networking. In the QI for AI direction, we examine how quantum computation and quantum-inspired structures affect learning through algorithmic speedups, expressivity, trainability, generalization, neural-network design, and tensor-network representations. We close by identifying cross-cutting challenges in reproducibility, scalability, hardware realism, and co-design, arguing that progress will depend on tighter integration of theory, experiment, and hybrid quantum--classical systems.

The emergence of powerful deep generative models based on diffusion and flow matching has enabled the learning and modeling of complex distributions. Learning quantum distributions, however, remains challenging due to the inherent difficulty of accurately modeling the meaningful physical properties of quantum states. We propose Quantum Flow Matching (QFM), a novel generative model designed to learn quantum distribution by utilizing spin Wigner function and flow matching. By converting density matrix into the spin Wigner function and leveraging functional flow matching to learn distributions in function space, QFM enables accurate and effective learning of multi-qubit quantum distributions. We demonstrate the effectiveness of our method by evaluating physical quantities such as trace, purity, and entanglement entropy of the generated quantum states, accurately capturing the underlying physics of the given quantum distributions.

As Quantum Machine Learning (QML) transitions toward practical implementation, the field faces a critical architectural bottleneck that challenges the fundamental assumptions of classical statistical learning theory. In classical deep learning, increasing model capacity typically risks overfitting. However, this study advances a counter-intuitive paradigm: unstructured contemporary QML architectures suffer from a profound state of quantum underfitting, driven by the "expressivity-trainability paradox." We demonstrate that the vast Hilbert space capacity of Parameterized Quantum Circuits (PQCs)-traditionally chased as the source of quantum advantage is the direct mathematical cause of Barren Plateaus (BPs), where gradient landscapes become exponentially flat. By synthesizing recent breakthroughs in Dynamical Lie Algebras (DLAs) and Geometric QML, we establish a comprehensive framework linking the algebraic dimension of circuit generators to their optimization dynamics. Furthermore, we empirically validate this framework on a non-linear binary classification task, illuminating a uniquely quantum manifestation of the bias-variance tradeoff: while unstructured architectures achieve near-perfect training accuracy via unscalable parameterization (quantum overfitting), embedding group-theoretic geometric priors acts as a structural regularizer. By restricting the DLA growth to a polynomial regime, our symmetry-preserving approach sacrifices raw memorization capacity to guarantee scalable, gradient-rich training landscapes, offering a robust roadmap for "Trainability-by-Design" in scalable quantum neural networks.

Visual environments are a demanding setting for quantum reinforcement learning (QRL): high-dimensional observations, unstable RL optimisation, and constrained variational quantum circuits (VQCs) are difficult to train jointly. This paper studies knowledge distillation (KD) as a staged hybridisation strategy for visual QRL. Instead of training a hybrid visual agent end-to-end from pixels, we first train a classical visual teacher, freeze its encoder as a feature interface, and distil the teacher's policy behaviour into compact downstream heads. These heads can be classical or VQC-based, enabling small quantum-compatible students to be evaluated under the same frozen representation as compact classical controls. We evaluate the pipeline on CartPole Pixels and Acrobot Pixels. The results show that staged KD enables shallow VQC heads to acquire non-trivial visual-control behaviour in settings where direct pixel-based training would be substantially more difficult. Angle-encoded VQC heads retain near-teacher performance, while amplitude-encoded heads push compactness to an extreme regime, at the cost of greater fragility, stronger budget sensitivity, and higher simulation time. Overall, staged KD reframes visual QRL as a compact-head learning problem, opening a practical route for training small quantum-compatible policies outside the standard end-to-end RL loop.

We design an algorithm for learning the coefficients of an $n$-qubit constant-local Lindbladian to $\varepsilon$ error with $O(g d^2 \log(n) / \varepsilon^2)$ total evolution time, where $g$ is the single-site energy and $d$ is the (approximate) degree of the interaction graph. Though Lindbladians present new challenges not present in the special case of Hamiltonians, our algorithm achieves the suite of desiderata attained by state-of-the-art Hamiltonian learning algorithms: (1) it uses non-adaptive, ancilla-free randomized Pauli measurement circuits with a time resolution of only $Θ(1/g)$; (2) it works without knowledge of the structure of the unknown Lindbladian; (3) it depends on a smooth form of degree, thereby supporting the learning of quasi-local and power-law Lindbladians. Our algorithm is a simple iterative method, where the objective function consists of Fourier coefficients of the Lindbladian restricted to few-site regions. Its analysis identifies the difficulty unique to open systems, which we call "confusing" terms. For settings where the "confusion" is limited, the performance of the algorithm improves. We demonstrate this for the case of structure learning of Hamiltonians from access to real-time evolution, where we obtain a new algorithm that is significantly simpler than previous work. In addition, using the same iterative method, we design the first efficient algorithm for structure learning Hamiltonians from high-temperature Gibbs states.

We report a machine-verified resolution of a problem open for over a decade in quantum optimization: the Farhi, Goldstone and Gutmann (FGG) conjecture that depth-$p$ Quantum Approximate Optimization Algorithm (QAOA) on the ring of disagrees attains approximation ratio $(2p+1)/(2p+2)$ exactly. We found the proof using a large language model, Claude Fable 5, and verified its correctness end-to-end by the Lean 4 proof assistant. Our methodology includes several ingredients: building on a substantial Lean library of quantum information, we formalized the QAOA components and the known parts of the problem, and reduced the conjecture to a single open mathematical statement. The model was then handed the library and our agentic toolkit, and tasked with closing that gap by constructing a proof in Lean. The resulting process is a feedback loop between the model's natural-language reasoning and Lean's mechanical verification, which converged to a machine-verified proof. Human verification is required only for the structural scaffolding - that the formal statement faithfully encodes the intended claim - while the proof itself is supplied by the model and certified mechanically by Lean. The proof is nevertheless striking - the model uncovered a hidden dynamical symmetry of the problem and exploited it, borrowing tools and machinery from an adjacent field to turn a hard existence problem into an explicit construction. This work paves the way for resolving open conjectures in quantum information science and beyond.

An important task in quantum computing is unitary circuit synthesis compatible with physical hardware constraints. This problem has a natural hybrid structure as local single-qubit gates are continuous variables on the Lie group $SU(2)$ while the entangling circuit structure is discrete and hardware-dependent. In this work, we use generative models to perform quantum circuit synthesis incorporating both the natural $SU(2)$ manifold geometry of quantum gates and hardware constraints that determine the overall circuit structure. Our model comprises two components: a circuit skeleton selector that chooses an entangling circuit and a diffusion model that generates quantum gates on the given circuit template by performing diffusion on the curved manifold $\mathrm{SU(2)} \simeq S^3$ itself. We demonstrate this approach with unitary compilation of physically motivated three-qubit Hamiltonian simulation targets such as the Transverse Field Ising Model and the Heisenberg-XXZ Model and show that Lie group diffusion outperforms comparable baselines. The synthesised circuits can also be customised subject to constraints, which we demonstrate by producing circuits with large and small gate rotation angles for the same target unitary evolution. We also investigate the fidelity-complexity frontier of the synthesised gates to demonstrate that the circuit selector learns to select circuits that balance fidelity with complexity rather than collapsing onto the most expansive entangling template. These results demonstrate that Lie group diffusion provides a natural generative framework for hardware-aware quantum circuit synthesis.

Symmetry provides a quantum neural network structure, but on its own it does not keep the network trainable once noise is present. We ask which physical quantity decides whether the gradients of an equivariant circuit survive decoherence, and we answer with a compact training law. Working with U(1)-equivariant brickwork circuits that conserve a charge, we find that two distinct effects govern a trainable gradient. Causality fixes where the gradient can live, confining it to the backward light cone of the readout inside the active charge sector. Coherence then determines how fast it decays through the contraction of the off-diagonal sector modes that the projected readout can actually observe. We prove a light-cone reduction that pins the noiseless gradient to the sector-restricted cone with a lower bound independent of the total qubit number, and we define a readout-visible aligned coherence rate as a Rayleigh quotient of the noise generator along the gradient-carrying mode. A perturbative open-system analysis turns this rate into a leading-order training law. Density-matrix simulations then confirm that the finite-noise degradation follows a single accumulated variable built from noise depth and coherence contraction, with a coefficient of determination of 0.979. The sharpest test comes from a correlated-dephasing channel that has a large worst-case rate but a near-zero aligned rate. The law predicts no gradient loss for this channel, and none is seen. Sector coherence outperforms every standard channel diagnostic we compare it against, and the analysis identifies readout-visible sector coherence as the quantity that links equivariant architecture, open-system dynamics and noisy trainability.

Machine-learned (ML) operator models can be trained to predict density functional theory (DFT) Hamiltonian/density matrices at significantly reduced computational cost, thus extending electronic-structure calculations to previously unfeasible scales. Here, we introduce MALOQ (Massively Accelerated Learning of Operators for Quantum Transport), an application built to train on and predict electronic-structure matrices for systems made of few to 100k atoms, described by large basis sets, and covering a wide range of atomic elements. Based on a state-of-the-art, SO(2)-equivariant backbone architecture, MALOQ provides (i) custom data-processing kernels to handle high-rank Hamiltonian matrix data and (ii) a scalable edge-wise distribution of atomic graph(s). Trained on the largest molecular Hamiltonian datasets available today, it reduces time-per-epoch by over 30% compared to a molecule-wise-distributed framework, and enables inference on material graphs of arbitrary size. We demonstrate scalable training and inference for 3,000-12,000 atoms on the Alps supercomputer, up to 192 GPUs and 256 GPUs, respectively.

Quantum kernel estimation on near-term hardware is shot-budgeted: every entry of the kernel Gram matrix is a Bernoulli expectation that must be sampled with a finite number of circuit executions. Recent work on quantum kernel classification has shown that allocating shots non-uniformly across kernel entries, weighted by their downstream task sensitivity, can reduce the shot budget required to reach a target accuracy. We extend this idea to Gaussian process (GP) regression, a setting whose downstream quantities (full-spectrum posterior variance, log-determinant, marginal likelihood) couple to kernel error more tightly than the sign-only outputs of classification. We derive three closed-form pair-level sensitivities predictive coupling $|α_iα_j|$, leave-one-out residual, and marginal-likelihood gradient and plug them into a Neyman-style minimum-variance allocation rule. To prevent catastrophic over-concentration when the warm-up sensitivity estimate is itself noisy, we add a high uniform coverage floor justified by a Frobenius lower bound on the missing-entry perturbation. On four UCI benchmarks and two synthetic RBF + Bernoulli controlled studies, the resulting allocator delivers $10$--$21\%$ test-RMSE improvement over uniform allocation across the moderate-budget regime. The gain transfers (i) to genuine ZZ and Pauli-Z quantum kernels on quantum-natural data ($-13$--$15\%$ at low budget, $p<0.05$ paired) and (ii) to four downstream tasks (Bayesian quadrature, heteroscedastic regression, hyperparameter learning, multi-output Cokriging). On UCI features embedded into a ZZ kernel the gain disappears, consistent with the exponential-concentration regime where shot allocation has nothing to exploit.

Parameterized quantum circuits (PQCs) provide a flexible substrate for hybrid quantum machine learning (QML), but their practical value on Noisy Intermediate-Scale Quantum (NISQ) devices remains an empirical question, especially because training depth and scale can introduce optimization challenges such as barren plateaus. Here we study how the number and topology of two-qubit entangling gates in the feature-map stage influence a fixed hybrid QNN workflow for classifying strong versus weak epitope-receptor binding in Porcine Reproductive and Respiratory Syndrome (PRRS) vaccine design. The dataset consists of docking-derived binding affinities for N=80 9-mer epitopes, labeled as Strong or Weak binding, and partitioned into training, validation, and test subsets using a 40:30:30 split. We compare a classical CNN benchmark with a hybrid Embedding-QNN architecture under four feature-map configurations: a non-entangling Z feature map, an all-to-all high-entanglement ZZ feature map, and two interleaved nearest-neighbour entanglement patterns of low and high depth. Among the configurations tested, the high-entanglement ZZ feature map is seen to provide the strongest evidence of reduced training-set overfit, with a lower training area under the accuracy curve (AUAC) and the highest test/training AUAC ratio, while preserving competitive test-set accuracy. These results do not establish a general QML advantage, but they suggest that feature-map entanglement topology is a meaningful design variable for sparse biological screening tasks and warrants further evaluation with additional metrics, larger datasets, and noise-aware or hardware-based experiments.

Early detection of oral cancer markedly improves clinical outcomes, yet specialized diagnostic tools remain scarce in low-resource settings. Smartphone-based screening is a scalable alternative but needs lightweight models that run within edge-hardware constraints. Hybrid classical-quantum architectures are emerging candidates for parameter-efficient learning, yet most rely on qubit hardware that needs cryogenic operation, unsuitable for edge deployment. Continuous-variable (CV) photonic quantum computing, which operates at room temperature, offers a complementary route. We investigate a hybrid classical-CV quantum classifier for oral cancer detection from smartphone images. The pipeline combines a MobileNetV1 feature extractor, principal component analysis to 16 dimensions, and a parameterized CV-QNN of displacement, interferometric, and Kerr gates on a photonic backend. We propose a simplified $Φ\circ D \circ U_1$ CV-QNN architecture that cuts trainable parameters 40-45% relative to the standard CV-QNN layer of Killoran et al. (2019a), and identify dimensionality-reduction and encoding-restriction strategies that mitigate barren plateaus, raising loss-gradient variance by roughly 58 orders of magnitude. Whether the simplified layer beats the full layer is width-dependent: the full layer holds a small but significant edge at two qumodes, whereas the simplified layer is significantly better at four qumodes using 44% fewer parameters. The strongest model, a four-qumode simplified CV-QNN with only 18 parameters, attains the highest validation AUC of all models, exceeds a 55-parameter classical baseline using 67% fewer parameters, and reaches 100% calibrated test accuracy across all seeds. These results support CV photonic quantum machine learning for parameter-efficient, room-temperature medical image classification and motivate progress toward edge quantum AI.

Dynamic Time Warping (DTW) is a cornerstone for time series classification, but its reliance on Euclidean distances fails to capture latent cross-channel correlations in complex multivariate data. We propose a hybrid Quantum Dynamic Time Warping (qDTW) architecture, replacing the classical distance metric with the parameterized geometry of a quantum Hilbert space. Through structural ablation on benchmarks up to $C=8$ spatial dimensions, we establish fundamental topological rules for quantum sequence alignment. We introduce a Unified Pre-Embedding Adjoint Ansatz that decouples trainable entanglement from classical data, eliminating the severe phase-scrambling and information bottlenecks inherent to traditional measurements. We demonstrate this decoupled architecture allows untrained quantum kernels to act as highly expressive baselines, while parameterized training effectively untangles deeply overlapping hyper-dimensional data. Furthermore, we identify a strict spatial-temporal expressivity tradeoff: temporal depth (data re-uploading) is necessary for dimensionally restricted univariate circuits, but applying it to wide multi-qubit registers triggers chaotic frequency-spectrum explosions and representation collapse. By navigating these topological hazards, our multivariate quantum architecture outperforms classical baselines, setting a new standard for integrating parameterized quantum circuits with dynamic programming

Generative models have achieved remarkable success in data synthesis, though recent advances driven by increasing model scale have introduced challenges in computational cost and efficiency. Quantum machine learning offers a promising alternative, representing complex data distributions using compact, highly expressive models. Here, we propose QDiffusion-TS, the first quantum generative diffusion model for time series synthesis, and validate it on the IQM quantum processor. The framework extends a classical diffusion architecture by replacing feed-forward components within the denoising transformer with quantum neural networks, yielding a hybrid quantum transformer that reduces the number of trainable parameters in each replaced component by nearly three orders of magnitude. Evaluated on financial time series from Apple and Amazon, the model generates synthetic data that more accurately reproduces the real distributions, reducing Wasserstein distance by approximately 44% relative to its classical counterpart across both datasets. In a downstream forecasting task, augmentation with the generated data improves predictive performance by up to 71% in RMSE over a baseline trained solely on real data. These results show that quantum enhanced architectures can consistently match and frequently surpass classical performance with substantially fewer parameters, establishing a practical framework towards more efficient and scalable data-driven generative modelling.

Foundation decoders, a class of high-capacity neural decoders, are leading candidates for fault-tolerant quantum computing, with accurate and efficient decoding at large code distances. However, their construction often faces a steep scaling barrier, as larger code distances rapidly amplify the cost of syndrome generation and neural optimization. To address this bottleneck, here we devise neural transfer unification (NTU), a unified framework for efficient foundation decoders. A central feature of NTU is its ability to align decoding tasks across code distances via algebraic structures shared by scalable code families, which enables knowledge learned on smaller codes to accelerate large-scale decoder training. We instantiate NTU as NTU-Transformer, a transformer-based neural decoder tailored for planar surface codes and bivariate bicycle codes. For planar surface codes under circuit-level noise, NTU-Transformer outperforms correlation-aware matching on the $[\![361,1,19]\!]$ code and further scales to the $[\![625,1,25]\!]$ code, where it exceeds standard matching through transfer adaptation. For the bivariate bicycle code with $[\![72,12,6]\!]$, it surpasses Relay-BP in the low-physical-error regime. These results establish our proposal as a scalable route to amortized cross-distance training of foundation decoders for fault-tolerant quantum processors.

We study a quantum autoencoder (QAE) for compression-driven anomaly detection in brain MRI data. The approach leverages angle encoding to map image patches into quantum states, followed by a variational encoder-decoder architecture trained to discard information via auxiliary trash qubits. Anomaly scores reflect the degree to which inputs resist compression relative to normal data, with higher scores corresponding to deviations from the learned normal manifold. Evaluated on publicly available brain MRI DICOM datasets, the method achieves a slice-level ROC-AUC of approximately 0.95 and a patch-level ROC-AUC of approximately 0.813, outperforming classical autoencoder and PCA baselines. Analysis of the learned parameters reveals a pronounced encoder-decoder asymmetry, where effective anomaly detection arises from structured information compression within the encoder rather than increased parameter magnitude or decoder expressivity. This results in a controlled compression-reconstruction trade-off with a clear operating regime that supports principled threshold selection. Qualitative evaluation further shows that the QAE produces spatially localized anomaly heatmaps aligned with tumorous regions. The results, supported by promising baseline performances, demonstrate that quantum autoencoders provide an interpretable and controllable mechanism for anomaly detection based on incompressibility with respect to a learned latent representation. This work highlights the potential of quantum autoencoders as a principled tool for studying compression dynamics in quantum machine learning, with promising implications for decision support in medical imaging workflows.

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

Autoencoders transformed classical machine learning by solving the curse of dimensionality, enabling principled weight initialization and learning compact, structured representations. In this work, we extend this paradigm to quantum machine learning by introducing a variational autoencoder framework that learns task-specific quantum embeddings of classical data. We demonstrate that high-dimensional datasets, including ImageNet, can be compressed into a 13-qubit quantum representation while remaining reconstructable through a learned decoder. On MNIST (3 vs 5), our approach achieves 98.5% validation accuracy using a circuit-centric quantum classifier, within 1.2 percentage points of a classical neural network baseline (99.7%) and more than 30 percentage points above a naive amplitude-embedding approach. Unlike amplitude embeddings, which require full quantum state tomography for recovery, or angle embeddings, which generally rely on circuit inversion under restrictive assumptions, the proposed framework reconstructs the original data from only a polynomial number of measurements. The framework was further validated on IBM quantum hardware, confirming that the learned embeddings remain stable and reconstructable under real device noise.

Variational Monte Carlo (VMC) is a central algorithm in electronic structure theory and has gained renewed importance through modern neural-network ansätze such as FermiNet. At its core, VMC seeks ground states by minimizing the Rayleigh quotient by stochastic optimization. In this work, we show that the resulting stochastic optimization problem is intrinsically governed by the nodal geometry of the underlying wave function. More precisely, we establish that properties of the nodal set determine the integrability of the local energy and gradient estimators that drive VMC. For broad and practically relevant ansatz classes, including Slater-Jastrow wave functions with variable-exponent Slater-type orbitals, we prove that these estimators are generically heavy-tailed and fail to admit higher moments. At the same time, for general analytic ansätze, we prove weak moment bounds for the relevant estimators and identify precise low-moment regimes, showing how generic and degenerate nodal structures lead to different integrability thresholds. Building on this analysis, we introduce a new robust variant of VMC $\unicode{x2013}$ coined PS-Clip-VMC $\unicode{x2013}$ which is based on clipping both the local energy and the gradient random variable. We prove that PS-Clip-VMC converges both in expectation and with high probability in the weak moment regime of VMC. Preliminary experiments for training FermiNet on Atoms with up to 18 electrons suggest that PS-Clip-VMC is significantly more robust than standard methods.

In the first part of this work, we construct the first type of two-dimensional (2D) hyperbolic neural quantum state (NQS) in the form of the Lorentz 2DRNN (Recurrent Neural Network) and benchmark its performance against the Euclidean 2DRNN in the paradigmatic $N\times N$ 2D Transverse Field Ising Model (2DTFIM) setting with different lattice sizes up to $N=12$ and at different transverse magnetic field strengths. We find that hyperbolic Lorentz 2DRNN NQS definitively outperform Euclidean 2DRNN NQS when the system is at the phase transition point when the physics can be described by a conformal field theory (CFT), which is known to be dual to an Anti-de-Sitter (AdS) space whose spatial geometry is hyperbolic. In the second part of this work, we benchmark the performances of the recently introduced one-dimensional (1D) hyperbolic NQS including Poincaré RNN/GRU and Lorentz RNN/GRU against their Euclidean NQS versions in $N\times N$ 2DTFIM, which has to be converted to a one-dimensional setting to allow for the use of 1D NQS. The findings in this case extend our previous results that 1D hyperbolic NQS definitively outperform 1D Euclidean NQS, thanks to the combined effects of the hierarchical structure comprising the first and $N^{th}$ neighbor interactions present in the 1D system arising from the 2D lattice and the CFT physics at the critical point. While more studies with larger system sizes are required, our work serves as a proof-of-concept for the utility, effectiveness as well as the superior performances of one- and two-dimensional hyperbolic NQS ansatzes compared to the existing Euclidean NQS in many-body quantum physics systems, especially when these systems exhibit structural hierarchy or when they are at criticality, or a combination of both.

Neural network quantization aims to find a discrete representation of parameters that preserves the performance of a full-precision (FP) model as faithfully as possible. Enforcing discrete constraints perturbs parameters away from a well-optimized minimum, generally resulting in performance degradation. Recent studies indicate that low-loss FP solutions are not isolated, but instead belong to connected low-loss subspaces of the loss landscape, where the loss maintains nearly the same minimum value. Models sampled from these subspaces are diverse and retain high accuracy. This raises the question: can a quantized model be constructed to lie within a low-loss subspace of the FP model, thereby automatically preserving performance? We address this question by learning quantization-aware linear paths in weight space optimized to minimize loss. We demonstrate that the midpoint of the resulting subspace is, by design, quantization-friendly and that its direct quantization yields performance comparable to that of quantization-aware training. The proposed procedure offers a novel perspective on weight quantization and, in contrast to conventional methods, neither relies on the straight-through estimator nor involves explicit discretization during training.

Quantum computers could outperform classical machines on important problems, but only if the errors that pervade quantum hardware can be corrected at scale. Quantum low-density parity-check (qLDPC) codes offer a promising route to this goal by combining sparse parity checks with finite encoding rate and growing distance, but their construction remains a challenging discrete design problem. Here we introduce structured concept evolution (SCE), a search framework that pairs a large language model with a structured algebraic mutation grammar to discover lifted-product code families, a class of CSS qLDPC codes. Instead of asking the LLM to design codes from first principles, SCE evolves structured concepts consisting of algebraic specifications paired with executable programs that realize them, using hierarchical mutations that modify the group algebra, protograph geometry, or base space. Running SCE, we discover a diverse set of competitive code families, ranging from abelian constructions to families over non-abelian groups beyond those underlying standard designs such as bivariate-bicycle codes, and characterize them under code-capacity depolarizing noise with BP+OSD decoding. These results are obtained with lightweight models (GPT-5.4-mini and GPT-5.4-nano).

Quadratic unconstrained binary optimization (QUBO)-based quantum computed tomography (CT) casts reconstruction as a binary quadratic problem for quantum annealing and hybrid quantum--classical solvers. For grayscale CT, however, image encoding is constrained by the binary-variable budget: fixed global bit-plane encodings increase QUBO size and coupling complexity as gray-level precision improves, whereas low-bit encodings introduce quantization error. We propose a QUBO-based grayscale CT reconstruction framework that combines dynamic interval encoding with prior-balanced optimization. Each refinement round encodes active pixels only within local gray-level intervals around the current estimate, and a boundary-hit-guided update rule adaptively switches between search expansion and local refinement. To improve optimization stability, the method balances projection-domain data consistency and an edge-preserving quadratic prior before forming the final QUBO. Sparse-view and limited-angle fan-beam CT experiments show that the proposed method recovers structures and gray-level distributions more faithfully than the evaluated analytic, iterative, variational, and representation-based baselines. Expressivity analysis and ablation studies further indicate that the improvement mainly arises from effective gray-level representation through dynamic local encoding and more stable data-fidelity--prior coupling. Experiments on the D-Wave hybrid binary quadratic model (BQM) solver further demonstrate that the formulation is executable on a hardware-backed hybrid quantum--classical backend.

Stochastic quantum neural networks (SQNNs) encode neuronal activations as qubits, synaptic topology as entanglement, and neural noise through a Lindblad master equation. A recent conference study applied a ring-entangled SQNN to collaborative intrusion detection and reached three conclusions: ring entanglement is \emph{essential} for non-local anomaly detection; an adversarial-resilience bound holds but is \emph{conservative}; and the depolarising channel \emph{fails} to act as a dropout-style regulariser, behaving instead as output noise. It left open whether a per-gate stochastic deactivation (``true quantum dropout'') could regularise where the depolarising channel could not, and whether the loose robustness bound could be replaced by a predictive theory. This paper resolves both and extends the framework to real data and to neutral-atom hardware. We give an $N$-qubit formulation through the stochastic master equation and its vectorised Liouvillian, and prove a \emph{decoherence-contraction theorem}: a depolarising channel of strength $γ$ over $L$ entangling layers contracts every weight-$w$ Pauli read-out by a factor $(1-4γ/3)^{wL}$ (for the weight-$1$ read-out used here, $(1-4γ/3)^{L}$); building on the general noise-as-defence result of Du et al., we make this quantitative and operational for intrusion detection. On the real NSL-KDD dataset under white-box FGSM and PGD attacks, a depolarising SQNN trained with the channel is, over seven seeds under strong $\ell_\infty$/$\ell_2$ attacks, significantly more robust than the noiseless circuit ($\ell_\infty$ PGD-$20$, $p=0.04$, large effect) and, critically, never suffers the catastrophic robustness collapse that the noiseless model and gradient-trained classical detectors (which fall from $95\%$ to $47\%$) do, cutting robustness variance roughly twofold; we show this robustness arises from a noise-reshaped training boundary rather than from attack-time gradient contraction. For generalisation, we derive an adaptive-penalty formula showing that per-gate dropout implements a curvature-weighted $L_2$ penalty $\tfrac{p(1-p)}{2}\sumθ^2\partial^2_θL$ in weight space, maximised at $p=1/2$, whereas depolarising noise implements an output-space penalty. A $30$-seed study confirms the formula's quantitative prediction: both mechanisms reduce the train-test gap by a small but statistically significant margin ($\approx\!0.01$; $p<10^{-4}$ and $p=0.004$), are statistically indistinguishable from each other, and the effect is concentrated where overfitting is largest; increasing the dropout rate past $1/2$ does not help, as the formula predicts. The single-seed dichotomy of prior work does not survive replication. We close with a neutral-atom realisation and a feasibility-by-$N$ analysis.

Existing quantum-inspired simulated bifurcation algorithms rely on dynamic scheduling methods but lack the ability to adapt effectively to different problem instances. Additionally, during the evolutionary stage, balancing exploration and exploitation remains challenging. The fundamental issue stems from the widespread use of static preset parameters and globally uniform strategies, which can diminish algorithm effectiveness and lead to result homogenization. This article proposes an Adaptive Enhanced Quantum-inspired Simulated Bifurcation (AE-QSB) framework driven by population states. By leveraging perception indicators of four distinct population states, the QSB algorithm establishes a closed-loop strategy encompassing perception, decision-making, and execution. Within this framework, we introduce three complementary algorithms spanning a spectrum from efficient extremum seeking (ME-BSB), through population-level uniform refinement (SE-DSB), to density-aware adaptive scheduling (SG-DSB). On the medium-sized graph G22, both SE-DSB and SG-DSB achieve a mean gap below 0.05%, while ME-BSB attains the optimal trade-off between runtime and solution quality with a gap of 0.26% and the shortest single-run time. We compared AE-QSB variants with other algorithms across all benchmark graphs from G1 to G81. The results demonstrate that AE-QSB achieved the lowest mean gap on 74.6% of the graphs and the highest average approximation rate on 84.5% of the graphs. Ablation experiments further revealed that subgroup exploration and rescue mechanisms play crucial roles in both multifactor and single-factor components. This study demonstrates that population statistical information during dynamic evolution provides a computable and effective foundation for adaptive control, enabling quantum-inspired optimization methods to transition from fixed scheduling to data-driven closed-loop control.

Quantum machine learning methods are increasingly explored for modeling complex environmental systems, including groundwater heat plume dynamics. In this work, we explore a Quantum Convolutional Neural Network (QCNN) as a surrogate model for predicting temperature variations in groundwater induced by geothermal heat pumps in the city of Munich. To comply with the scalability constraints of current quantum hardware, the original high-dimensional simulation output is reduced to a compact set of representative parameters that serve as training targets for the surrogate. The proposed QCNN architecture consists of a quantum convolutional layer, a quantum pooling layer, and a fully connected quantum readout stage. Convolution and pooling operations are realized via parameterized quantum circuits based on rotational gates and measurement-driven decoding, while a Hamiltonian-inspired feature-encoding scheme is used to prepare informative input states on the quantum device. We evaluate the QCNN across multiple execution backends, including an ideal statevector simulator, a noisy simulator, IBM's 127-qubit Kyiv quantum processor, and the same hardware augmented with advanced error-mitigation techniques. Realistic noise models are employed to approximate device behavior and to assess the impact of mitigation strategies. Model performance is benchmarked using mean squared error (MSE) on both training and testing sets. The results show that, although classical neural networks still achieve the highest predictive accuracy, the QCNN attains competitive and consistent performance on simulators and exhibits noticeable improvement under error-mitigated hardware conditions. These findings indicate that quantum-enhanced surrogate modeling is a promising direction for future groundwater temperature prediction as quantum hardware and error-mitigation techniques continue to mature.

Black-box optimization (BBO) deals with problems where objective functions lack explicit analytical forms and are expensive to evaluate. Factorization machine with quadratic-optimization annealing (FMQA) constructs a surrogate model using a factorization machine (FM) and optimizes it with an Ising machine. Conventional FMQA applies a single integer-binary encoding throughout the optimization process, although the encoding best suited to surrogate learning may differ from the one best suited to Ising-machine solution search. We propose a stage-dependent FMQA framework and derive conversion formulas between one-hot and domain-wall QUBO matrices that preserve the surrogate objective over feasible integer states up to an additive constant. We evaluate the OhDw variant, which employs one-hot encoding for learning and domain-wall encoding for search, on the Rastrigin function with input dimensions N = 2 and 5 and discretization levels q = 61 and 301. Across all conditions, the dominant factor governing optimization performance is the encoding used in the learning stage, with one-hot encoding consistently yielding lower residual errors than domain-wall or binary encoding. The additional benefit of switching to domain-wall encoding for solution search is condition-dependent. For N = 5 and q = 301, OhDw achieves a lower residual error and solutions closer to the global optimum than one-hot-only FMQA, whereas for N = 5 and q = 61 the latter achieves a lower residual error. These results indicate that one-hot encoding in the learning stage is the primary performance driver and that stage-dependent encoding can provide further improvement under finer discretization.

Recent advances in quantum machine learning have motivated efficient models for sequential data processing. In this paper, we propose Self-Modulating Quantum Fast Weight Programmers, or Self-Modulating QFWP, which extends Quantum Fast Weight Programmers by introducing adaptive modulation over both newly generated fast-weight updates and historical fast-weight memory. Numerical results show that the proposed mechanism improves convergence stability and prediction performance across varying model settings, including different numbers of qubits and input sequence lengths. We further provide theoretical arguments explaining how self-modulation balances new information injection with memory retention, thereby enhancing temporal information propagation. These results suggest that Self-Modulating QFWP is a compact and effective framework for quantum machine learning on time-series data.

Recent advances in quantum computing and machine learning have motivated the development of quantum models for sequential data processing. In this paper, we propose a Recursive Quantum Long Short-Term Memory model, or Recursive QLSTM, which extends QLSTM through metacore-based recursive constructions. We numerically test the model under different input sequence lengths, metacore designs, and recursive rules, and identify the best-performing architecture among these variants. For this selected model, we further provide theoretical arguments explaining why its recursive structure improves temporal information propagation and enhances learning performance. Our results suggest that Recursive QLSTM offers a flexible and effective framework for quantum recurrent learning over input time series of various lengths.

We present an exploratory benchmark and quantum-inspired modeling prototype for fraud screening in dynamic financial transaction graphs. Coordinated fraud may not be visible from individual transactions alone, but may emerge as a multi-period relational pattern. We focus on sparse-ring fraud, a stylized pattern in which a completed directed cycle is distributed across several days, requiring models to integrate evidence across both time and graph structure. We study this problem using a synthetic transaction simulator with completed sparse-ring injections and broken-ring decoys. Daily directed transaction graphs are aggregated into rolling windows and represented using raw graph features, persistent-homology summaries, or hybrid feature vectors that combine both. We compare a gated recurrent unit (GRU) baseline with quantum-inspired Contextual Machine Learning (CML) as sequence-level classifiers. Because the benchmark uses synthetic data, a modest sample size, and sequence-level labels, the results are exploratory. Within this scope, topology-only summaries are too compressed to solve the supervised ring-completion task by themselves, largely because they remove account-pair identity and edge direction. The strongest results come from hybrid representations that combine identity-preserving graph features with topological summaries. These findings suggest that topology is most useful as a contextual layer over dynamic graph features, and that CML is a promising candidate model for fraud patterns whose evidence is distributed across temporal and relational context.

Hybrid Quantum Neural Network (QNN) classifiers produce logits as expectation values of quantum measurement operators. For standard Pauli measurements, these outputs are intrinsically bounded to the interval [-1,1]. When such bounded logits are used directly with the cross-entropy loss applied to softmax-normalized logits for multi-class classification, the loss function operates in a regime of weak sensitivity to logit differences. As a consequence, parameter gradients are suppressed, leading to unstable optimization in variational quantum classifiers (VQCs). In this work, we identify this effect as measurement-induced logit contraction, a previously uncharacterized source of trainability degradation in hybrid QNNs. To address this limitation, we introduce a learnable scaling parameter, termed Quantum Measurement Temperature (QMT), which rescales quantum measurement outputs prior to the loss. Unlike post-hoc calibration, QMT acts during training and compensates for the physically imposed bounds on quantum measurement outputs. This rescaling increases gradient magnitude and variance, thereby improving loss sensitivity. The proposed mechanism is architecture-agnostic and does not modify the quantum ansatz, circuit depth, or measurement operators. Experiments on fluorescence microscopy images and a six-class variant of Fashion MNIST demonstrate that QMT consistently enhances logit separation, strengthens gradients, stabilizes training across random initializations, and improves classification accuracy, relative to unscaled measurement readouts. These results demonstrate that QMT enables stable and reliable training of hybrid QNNs for practical applications.

Hyperdimensional Computing (HDC) is a robust computational framework inspired by human cognition characterized by simple and efficient operations within high-dimensional vector spaces. Quantum-enhanced Hyperdimensional Computing (QeHDC) extends classical HDC by leveraging quantum mechanical properties to enhance computational efficiency. In this paper, we propose a novel Quantum HDC framework featuring a one-pass training method, leveraging sinusoidal and quantum encoding to project classical data into quantum amplitude states efficiently. Our framework introduces an innovative reference-state-based quantum binding operation realized via quantum circuits. Furthermore, we propose a density-matrix-based superclass generation strategy employing eigenvalue decomposition to extract critical quantum state features effectively, enabling a more accurate and robust class representation. Experimental evaluations conducted on standard benchmark datasets demonstrate our approach's superior performance, robustness to noise, and computational feasibility compared to traditional classical and existing quantum-enhanced approaches. The results highlight the practical benefits and potential of Quantum HDC for quantum-enhanced classification tasks and pave the way for future advancements in quantum-inspired computational paradigms.

Quantum machine learning is often motivated by the exponentially large state space of quantum systems, but this promise leaves a basic generalization problem unresolved: how can a learner assign different meanings to unseen quantum directions when the training data provide no preferred basis, measurement frame, or other orienting structure? We address this identifiability problem by formulating supervised learning without an external quantum reference frame, so that predictions cannot depend on an arbitrary choice of Hilbert-space coordinates. This requirement forces the learned classifier to preserve every unitary symmetry left unbroken by the training data. We prove that whenever the training states fail to span the full Hilbert space, all pure states orthogonal to their span must receive the same prediction -- even when those states are mutually orthogonal and perfectly distinguishable once an appropriate measurement is supplied. The limitation is therefore not caused by state discrimination, optimization, or computational power, but by missing reference information. We further establish a robust version under weak symmetry breaking and show that learning generic unstructured concepts on multiqubit systems requires exponentially many independently oriented training directions. Numerical illustrations visualize the resulting prediction collapse and its controlled relaxation. Our results identify feature maps, measurement bases, Hamiltonians, locality, symmetry priors, architectures, and sufficiently diverse training states as operational resources for generalization. The central implication is that Hilbert-space dimension alone is not a learnable feature space: successful QML must specify the physical structure that gives unseen quantum directions semantic meaning.

Histopathologic cancer detection is challenging due to tissue variability, staining differences, and subtle visual distinctions between disease classes. We propose two quantum algorithms for this task: a configurable dual-gradient CSWAP circuit (DG-CSWAP) that computes multi-directional edge responses in a single execution via per-pixel local Ry encoding, and a hardware-efficient destructive swap circuit (DG-DST) natively matched to quantum processing unit (QPU) gate sets at substantially lower circuit complexity. We prove algebraic equivalence between DG-CSWAP and DG-DST, enabling a two-circuit QPU validation strategy. A three-stage NISQ mitigation pipeline, including readout error correction, bias subtraction, and slope regression, reduces single-pixel hardware MSE by ~8x. Validated on five quantum processors via Amazon Braket, the method achieves inter-platform Pearson r ~ 0.93-0.94 across all local-simulator pairs. Compared to a prior Quantum Fourier Transform (QFT) based amplitude-encoding baseline requiring 12-qubit global state preparation and a three-model ensemble (85.55% on PatchCamelyon), the proposed method uses shot-based measurements, executes on real quantum hardware, and achieves 79.80% accuracy with a single ResNet-50. A Lite configuration delivers a 17x preprocessing speedup at a 2.59% accuracy cost. To the best of our knowledge, this is the first quantum hardware implementation study with noise mitigation for histopathologic image classification.

Small quantitative structure-activity relationship (QSAR) studies are difficult when close molecular analogues have different activity labels. This paper asks whether a quantum kernel can add similarity information to a Morgan/Tanimoto fingerprint model, and which molecules account for the change. QBioFusion-QSAR uses quantum multiple kernel learning (QMKL): a support vector machine combines a Morgan/Tanimoto kernel with a quantum fidelity kernel constructed from fold-local components derived from RDKit and Mordred descriptors and Deep-PK features. Linear and radial basis function descriptor kernels are included as classical controls. On the 54-molecule PsychLight-A benchmark, Morgan/Tanimoto was the strongest single representation. In the primary stratified five-fold evaluation, QMKL increased accuracy from 0.815 to 0.833 and Matthews correlation coefficient (MCC) from 0.613 to 0.645. Matched-regularization auditing attributed the change to N-Me-5-HT and N-Me-tryptamine changing from false-negative to true-positive predictions; activity-cliff subset MCC increased from 0.07 to 0.22. Repeating the five-fold protocol over ten random partitionings showed that learned QMKL did not exceed Morgan/Tanimoto on mean MCC; paired held-out bootstrap intervals for the matched comparison also span zero. These results support QBioFusion-QSAR as an auditable QMKL framework for identifying localized residual quantum-kernel contributions in small-data, activity-cliff-aware ligand classification.

We present a systematic study of von Neumann entropy estimation in multi-qutrit quantum systems using two complementary approaches: variational quantum algorithms (VQAs) and classical convolutional neural networks (CNNs), evaluated using an ideal (noise-free) quantum simulator. For systems up to three qutrits, we construct and evaluate 11 hardware-efficient SU(3)-inspired ansatzes. A parameter sweep shows that estimation accuracy is primarily determined by the number of trainable parameters, provided sufficient entanglement is present. Based on this study, we fix the parameter count to approximately 120 for subsequent experiments, observing that increasing entangling-gate counts beyond a threshold yields only marginal improvements. For larger systems (two to five qutrits), we use a CNN trained on measurement outcomes from tensor-product mutually unbiased bases. The model achieves accurate and stable predictions and exhibits a systematic improvement in performance with system size, with the highest errors for two-qutrit systems and the lowest for five-qutrit systems. Notably, using only 12.5% of the measurements required for full state tomography is sufficient to reach 90th-percentile absolute errors of approximately 0.13-0.16 nats for both four- and five-qutrit systems. The CNN model is also robust to shot noise and generalizes well to out-of-distribution states. Overall, within the simulated settings studied here, our results indicate a transition in practical methods: VQAs are effective for small systems, while CNN-based estimators offer improved scalability and robustness for larger qutrit systems.

Machine learning models have scaled to unprecedented sizes, making training across distributed devices the de facto standard in the field. In this work, we explore how quantum communications can make distributed training both more communication-efficient and information-theoretically private, for both classical and quantum learning models. Ring all-reduce is the foundational communication primitive for large-scale distributed training. We present a quantum version that reduces per-link online communication by a provably optimal factor of two using pre-shared entanglement and superdense coding, without requiring the learning model or gradient computation to change. Beyond bandwidth, the primitive enables privacy guarantees that are information-theoretically impossible for any classical protocol, achieving composable ε-secure aggregation, via verified entanglement, at a 2x overhead in GHZ copies. Our hybrid quantum-classical communication architecture yields simultaneous communication and security advantages for large scale distributed training, regardless of whether the learning itself is quantum or classical. Finally, we characterise quantum advantages in gradient conflict detection for server-to-client communication under bandwidth constraints, a setting that arises after ring all-reduce is completed, when full gradient broadcast to external clients is infeasible. Two variants of the problem admit different separations. For margin-based alignment testing (\textsc{GapIP}_τ), the quantum advantage is quadratic in the margin parameter: \widetilde{O}(τ^{-1}\log P) qubits versus \widetilde{O}(\min(\τ^{-2},P)) bits. For sign-consistency auditing against a private parameter matching (\textsc{TieAudit}_ε), the advantage represents an exponential separation in communication complexity: Ω(\sqrt{P}) bits whereas O(ε^{-2}\log P) qubits suffice.

Recent quantum vision models-quantum vision transformers and quantum convolutional networks-report two striking but unexplained empirical phenomena: (i) ansatze with more, or more uniformly distributed, entanglement generalize better, and (ii) injecting quantum noise can improve test accuracy rather than degrade it. These observations are currently treated as curiosities, discovered by grid search and explained, if at all, by hand. We show that both are manifestations of a single, measurable quantity: the \emph{effective dimension} $d_{\rm eff}$ of the (noise-shaped) quantum feature kernel. Working primarily with quantum-kernel vision models-a quantum feature map read out by a kernel classifier-we give a spectral account in which entanglement structure and quantum noise are two knobs that move $d_{\rm eff}$; in an overfitting regime, contracting $d_{\rm eff}$ acts as ridge-like regularization. We analyze the mechanism: an \emph{exact} decomposition of the depolarized kernel $K_p=(1-p)^2K+\tfrac{p(2-p)}{D}\mathbf{1}\mathbf{1}^\top$ with $d_{\rm eff}(K_p)\to1$, a contraction result (and its boundary) for amplitude damping, a kernel-machine capacity bound, and a capacity/alignment risk decomposition; the monotone contraction operative in our entangled experiments is verified empirically, not proven in general. Along the one-parameter depolarizing family the collapse is instead exact by construction; we use it only to confirm the kernel decomposition to machine precision and at up to $12$ qubits, not as evidence for $d_{\rm eff}$. Amplitude damping contracts $d_{\rm eff}$ and lifts test accuracy by up to $+13\%$ along an inverted-U sweet spot; the effect's sign flips between the over- and under-fitting regimes; noise injection matches an explicit spectral-filtering frontier. Our results organize two reported anecdotes into a single measurable principle for designing quantum-vision models.

Reliable quantum control in the presence of decoherence requires policies that combat the effect of environmental noise on the controlled dynamics. Open quantum systems under continuous monitoring generate classical measurement records whose drift depends on the noise experienced by the system; the records of two evolutions sharing the same decoherence channels differ only in this drift, so Girsanov's theorem yields a closed-form, differentiable estimator of the KL divergence between their trajectory distributions. We instantiate this estimator with two physically motivated reference measures, yielding two regularizers that both drive the system toward states where the effects of decoherence are minimal: the Wiener KL (KL_W), which is empirically more effective under certain conditions on the noise model, and the drift-variance regularizer (R_DV), which works for all noise models. Both are qualitatively distinct from existing penalties on control fluence or smoothness: they penalize the observable consequences of control on the decoherence channels rather than the control amplitude itself. The regularizers outperform unregularized gradient-based and reinforcement-learning baselines across a range of open quantum systems -- including single- and multi-qubit benchmarks and a multi-qubit chain calibrated to a published snapshot of the IBM Kingston processor -- along several axes of evaluation: final-state fidelity, robustness to mismatch in the assumed noise model (gains grow from +17 pp at training noise to +27 pp under 2.5x noise mismatch), and occupation of forbidden states. The regularizers reduce infidelity by up to 50%, with ~16% gains on the calibrated IBM Kingston chain.

Characterizing the features of a Hamiltonian that governs a quantum system serves as a fundamental subroutine of quantum device calibration, signal sensing, and error correction. Recent works proposed protocols have achieved the optimal Heisenberg-limited scaling learning ansatz-free Hamiltonians from their real-time evolutions without fully specifying interaction structures. However, these protocols rely on both deep circuits with interleaving probes and control, and extremely short time resolution, making them difficult to implement on near- and intermediate-term in situ quantum experiments. In this work, we propose a computationally efficient, control-free, and ancilla-free algorithm that uses only Pauli product state preparation and measurement, and learns an ansatz-free Hamiltonian $H$ with $||H||\leqΛ$ in total evolution time of $Θ(\fracΛ{ε^2}\log(\fracΛε))$. The evolution time cost of our algorithm is optimal for any control-free protocols as we further prove a lower bound of $Ω(\fracΛ{ε^2}\log(\fracΛε))$. Technically, our method introduces a randomized-sampling framework that combines band-limited kernel-based time sampling with a displacement sieve for Hamiltonian structure learning. The characteristic probe time resolution depends only on $Λ$ instead of $\varepsilon$, which makes our protocol especially appealing in the high-precision regime for sensing and calibration applications. We also show that the algorithm maintains the same asymptotic total evolution time in the presence of state-preparation-and-measurement (SPAM) noise when the Hamiltonian is local after calibration. Our results demonstrate the fundamental cost of experimentally friendly Hamiltonian learning and provide a practical route to rigorous in situ characterization of near-term quantum platforms.

The transition to Post Quantum Cryptography (PQC) introduces considerable implementation complexity, requiring strict adherence to constant-time execution, side channel resistance, and precise parametrisation. Simultaneously, large language models (LLMs) are heavily embedded in software development workflows, including cryptographic engineering. While LLMs improve productivity, evidence shows that they frequently generate insecure or suboptimal code, particularly in security critical domains. This paper introduces Secure Coding Drift in PQC, a novel socio technical vulnerability model capturing the gradual degradation of secure coding practices due to sustained reliance on LLM-generated code. Unlike prior work that focuses on static vulnerabilities, we conceptualise security risk as a longitudinal behavioural phenomenon rising from human AI interaction. To mitigate this, we propose a gamified, LLM augmented secure coding framework that embeds adversarial evaluation, behavioural feedback, and security scoring into development workflows. Our approach reframes LLMs from passive assistants into active security co-pilots, contributing toward safer PQC implementation in AI mediated environments.

Quantum chemistry simulations underpin modern materials discovery, yet their impact is limited by steep computational cost and dependence on fixed approximation schemes. Foundation models, such as machine-learned interatomic potentials, have accelerated parts of this workflow, but their reliance on large-scale pretraining restricts adaptability at the frontier of chemical space, where methodological innovation and sparse data are the norm. Agentic AI systems can automate existing simulation pipelines, yet they remain constrained by the predefined tools and algorithms they orchestrate. In response, we introduce LADeQ, an LLM-guided workflow that discovers, implements, and benchmarks candidate approximation algorithms at test-time within existing quantum chemistry codes. Rather than selecting from a predefined repertoire, LADeQ constructs candidate approximation schemes on demand, drawing on techniques from disciplines such as spatial statistics, circuit simulation, and kernel methods that have had little prior presence in electronic-structure theory. Because it builds on an out-of-the-box language model, LADeQ requires no task-specific pretraining or curated data, and the resulting implementations are transparent and inspectable, with explicitly traceable approximation errors that enable principled control of accuracy--efficiency trade-offs. We show that LADeQ accelerates coupled cluster singles and doubles (CCSD) and configuration interaction singles and doubles (CISD) calculations while keeping correlation-energy errors within user-specified tolerances, demonstrating autonomous, objective-driven discovery of approximation algorithms inside existing electronic-structure solvers.

Laser powder bed fusion (LPBF) is a promising additive manufacturing technique that suffers from quality assurance concerns. Predicting melt pools from process parameters is crucial for assessing quality prior to manufacturing but remains a difficult problem because of the complex physical processes underlying LPBF. Quantum computers present a new computing paradigm, providing a new approach to information processing using quantum entanglement and superposition. This paper presents a practical demonstration of a hybrid quantum-classical model that leverages quantum computing to improve process parameter feature extraction with a quantum feature encoder. To make the quantum approach computationally feasible for large datasets, we first employ a clustering algorithm to reduce the number of expensive quantum computations. These quantum features are then processed by a classical neural network to predict the melt pool morphology, allowing for more accurate predictions of melt pools. We demonstrate the method using a quantum simulator, analyze the effect of measurement shot noise on the predictive performance of the network, and verify the results using quantum hardware. Finally, by examining which quantum features are most important, we provide insights that can inform the future design of more effective quantum encoding circuits. Ultimately, the performance improvement over purely classical networks validates the hybrid approach, demonstrating an engineering application of quantum computing using noisy and intermediate scale quantum (NISQ) devices.

The Quantum Approximate Optimization Algorithm (QAOA) is a leading variational algorithm for combinatorial optimization on near term quantum devices. As circuit depth increases, the number of optimization parameters grows, making the search landscape increasingly nonlinear and difficult to optimize. Previous studies have shown that optimal QAOA parameters often lie on a low dimensional manifold that can be approximated using Principal Component Analysis (PCA) at shallow circuit depths. However, the effectiveness of PCA decreases at higher depths because the underlying parameter manifold becomes increasingly nonlinear. In this work, we investigate Kernel Principal Component Analysis (KPCA) with a radial basis function kernel as a nonlinear dimensionality reduction technique for QAOA parameter optimization. The model is trained using 200 graphs from each of 3 graph families, namely Erdos-Renyi, Barabasi-Albert, and Watts-Strogatz, with graph sizes ranging from 7 to 10 nodes. Performance is evaluated on 30 test graphs containing 12 nodes at circuit depths 1, 2, 4, and 8. Experimental results demonstrate that KPCA consistently outperforms PCA at deeper circuit depths across all graph families. At depth 8, KPCA achieves approximation ratios above 0.86, while PCA declines to approximately 0.81 to 0.83. Both methods reduce the number of quantum circuit evaluations by more than 93 percent relative to unrestricted QAOA optimization. These findings suggest that nonlinear kernel methods more effectively capture the structure of the QAOA parameter manifold and provide a practical approach for scaling variational quantum optimization to deeper circuits.

We develop a framework for the information discarded by machine learning models whose inputs carry a Lie group action. Given a representation $π$ of a Lie group $G$ on a space $V$ and a learned function $f\colon V \to \mathbb{R}$, we define two objects measuring the symmetry invisible to $f$. The null fiber at a point $x \in V$ is the set $N_G(f,x) = \{g \in G : f(π(g^{-1}) \cdot x) = f(x)\}$ of group elements whose inverse action on $x$ is undetectable by $f$. When $N_G(f,x)$ is independent of $x$, it coincides with the stabilizer $\mathrm{Stab}_G(f)$, the largest subgroup of $G$ under which $f$ is invariant. For smooth maps to $\mathbb{R}$, the preimage theorem guarantees that null fibers have dimension at least $\dim G - 1$ at generic inputs, regardless of architecture. For compact groups acting on themselves, the Peter--Weyl theorem yields a spectral characterization of both objects in terms of the Fourier coefficient matrices of $f$. We show that null fiber elements can be computed efficiently via Newton iteration on the orbit map, at a cost comparable to a few gradient evaluations. Applications to data masking, model fingerprinting, and privacy-preserving computation are developed and tested experimentally on molecular property prediction under $\mathrm{SO}(3)$ and spherical image classification under the Möbius group $\mathrm{PSL}(2, \mathbb{C})$. The framework applies uniformly to classical neural networks and variational quantum circuits.

Modern AI systems increasingly solve a task not with a single model call but with several imperfect agents working together: some propose pieces of a solution, others verify them, and the results are combined. These systems often outperform any single model, yet it is rarely clear why they succeed or when they will fail. We model such a system as message passing on a sparse graph, the structure that underlies low-density parity-check (LDPC) codes, and extend the density-evolution machinery of coding theory to this richer setting. In our model a task is a set of coupled binary subclaims, and an agent architecture is a sparse, role-typed factor graph whose check nodes are noisy Boolean verifier nodes, each computing a local Boolean function of the subclaims it touches. Three distinct failure modes, all modeled as erasures (an agent abstaining, a verifier returning no usable output, and a message lost between two agents), propagate as the agents exchange set-valued messages. The check agents combine these messages by a single logical-forcing rule that specializes to XOR, AND, OR, implication, and Horn constraints. This is more than a relabeling of LDPC theory: the verifier functions are nonlinear and value-asymmetric, and the three failure modes do not reduce to a single effective channel, so they require new threshold, finite-length, and converse results rather than a direct reuse of parity-check density evolution. We prove a density-evolution theorem that predicts the asymptotic fraction of unresolved subclaims on random role-typed architectures, with an extension to deterministic, locally tree-like graph sequences. The XOR case recovers the classical LDPC recursion on the binary erasure channel (BEC); the AND case exposes an asymmetry between positive and negative verifier certificates.

The growing energy demand for computation is becoming increasingly unsustainable. Thermodynamic computing, which harnesses physical thermal fluctuations as a computational resource rather than suppressing them, offers orders-of-magnitude energy savings for probabilistic and combinatorial tasks. Pharmaceutical R&D, heavily reliant on computational optimization and sampling, is a natural application domain. Here we present what is, to our knowledge, the first concrete pharmaceutical application mapped to thermodynamic hardware with energy estimates grounded in prototype measurements. We reduce mRNA codon optimization, a combinatorial problem routinely solved in drug development, to sampling from an Ising model, making it directly executable on a thermodynamic sampling unit (TSU). Benchmarking three approaches (Potts sampling, Ising sampling, and a genetic algorithm baseline) on the SARS-CoV-2 spike protein, we find that all achieve comparable optimization quality (scores ~234-240), but energy estimates based on validated hardware models indicate that a TSU could solve this problem using approximately 10e6 times less energy than a conventional GPU. All code is released under an open-source license.

We extend the entropy formula of Menon and Yu for the real Deep Linear Network (DLN) to its complex and quaternionic analogues, obtaining a unified formula for DLNs over $\mathbb{R}$, $\mathbb{C}$, and $\mathbb{H}$.

The power of quantum computing and quantum machine learning relies on harnessing uniquely quantum phenomena as computational resources. While superposition, coherence and entanglement have been central to this effort, the role of particle exchange statistics remains largely unexplored. Here, we introduce a quantum kernel framework that unifies bosonic, fermionic, and anyonic (fractional) exchange statistics within a single learning paradigm. We study this family of kernels from three perspectives. At the representation level, Haar-averaged effective-dimension analysis shows that fractional exchange phases access feature-space directions inaccessible to the purely symmetric or antisymmetric limits. At the level of kernel geometry, the corresponding Gram matrices show greater separation from the distinguishable-particle baseline and reduced label-dependent model complexity. Finally, on learning benchmarks, anyonic kernels consistently outperform their bosonic and fermionic counterparts, with stronger target alignment and more favorable class geometry. Together, these findings show that exchange statistics reshape the structure and geometry of quantum feature space, leading to enhanced learning performance. Our work identifies particle exchange statistics as an overlooked computational ingredient for quantum machine learning and provides the first systematic comparison of quantum learning models across exchange phases.

Recent theoretical progress has established conditions under which machine learning models can efficiently predict ground-state properties of gapped local Hamiltonians when trained on quantum-generated data. Previous experimental demonstrations in this paradigm, however, have largely been limited to small systems or highly structured states, due to the difficulty of preparing many-body ground states on quantum processors. In this work, we demonstrate learning from experimental quantum data generated from approximate ground states of the two-dimensional Heisenberg XXZ model with system sizes up to 115 qubits. We construct a dataset of single-site expectation values, two-point correlations, and 12-body loop correlations across the antiferromagnetic phase. We then train neural networks on this data and show that they can accurately predict spatially resolved observables for previously unseen Hamiltonian parameters, both within the training distribution and in an out-of-distribution regime approaching the phase boundary. Our results demonstrate the practical realization of learning from quantum data for an interacting two-dimensional many-body system at scale, motivating a path toward regimes where quantum processors could provide training data beyond the reach of classical approximation methods.

Quantum computing promises transformative advances across science and industry, yet the physical hardware that enables these computations remains invisible to the public: quantum processors operate inside sealed dilution refrigerators at temperatures near absolute zero, making direct observation impossible. This "imagination gap" between quantum computing's growing societal impact and the public's ability to visualize it represents a significant barrier to quantum literacy and workforce development. We present Quantum Cinema, an open-source, browser-based interactive application that closes this gap by transforming invisible quantum hardware into explorable, cinematic experiences using generative world models. Quantum Cinema guides users through a four-act narrative -- from the foundational Nobel Prize-winning science of quantum entanglement, through curated video introductions to three major quantum computing architectures (trapped-ion, neutral-atom, and superconducting systems), into immersive three-dimensional generative worlds that make invisible quantum phenomena observable, and finally to interactive radar-chart comparisons grounded in real quantum device specifications. All three-dimensional environments are generated using WorldLabs' generative world model platform and are scientifically grounded in curated metrics from Amazon Web Services (AWS) Braket quantum hardware. Quantum Cinema requires no installation, no specialized hardware, and no quantum computing background. It is designed to serve two distinct communities: scholars and developers seeking to replicate or extend the platform, and educators, researchers, and science communicators seeking an intuitive tool for explaining quantum hardware to diverse audiences. This paper describes the system architecture, the generative world model pipeline, use cases for both communities, and directions for future work.

Time series forecasting largely benefits from combining the strengths of different models, especially using a scheme where a model corrects another model by capturing supplementary patterns from forecasting errors. Concurrently, quantum models are providing a means to augment the classical capacity, including in time series forecasting, by acting alongside classical models in hybrid architectures. In this work, we propose the first forecasting system based on error correction that jointly uses quantum and classical models. Here, quantum models first extract patterns by exploring quantum phenomena, and classical models capture the remaining patterns from the quantum errors. Compared to classical single models and classical-classical hybrid models based on error correction, the complementary capacity that emerges from this quantum-classical system provided the best results in most of the addressed problems. Therefore, this work paves the way to introduce quantum models in established hybridization schemes for time series forecasting.

Internet of Medical Things (IoMT) devices operate under strict resource constraints while handling highly sensitive health data, making security and privacy critical concerns. Federated learning (FL) further complicates this landscape, as model updates exchanged during training may unintentionally expose private medical information. Emerging quantum computing capabilities threaten the long-term viability of conventional lightweight cryptographic mechanisms, motivating the integration of Post-Quantum Cryptography (PQC) into IoMT systems. This article discusses key enabling technologies for quantum-resilient IoMT, including post-quantum key establishment, lightweight encryption, and edge-native orchestration. We propose a scalable Kubernetes-based framework that integrates PQC into FL-enabled IoMT environments and validate it on a Raspberry Pi testbed. Results demonstrate that distributed cryptographic processing significantly reduces latency compared to sequential designs while maintaining feasible resource overhead. The primary contribution of this work lies in the design and validation of a secure orchestration and communication framework for FL-enabled IoMT systems. We conclude by outlining future directions toward energy-aware architectures, intelligent security optimization, and resilient next-generation Intelligent Internet of Medical Things (IIoMT) ecosystems.

AI-assisted mathematics is often evaluated on solving predefined problems. In practice, however, many important advances begin earlier, when a vague research intuition is transformed into a concrete problem, a promising route, and a theorem family worth proving. This report studies that stage through a case study that led to sign-embedding quantum algorithms for matrix equations and matrix functions, foundational primitives in quantum linear algebra and operator-output quantum algorithms. The project began with a human-originated intuition that rational approximation is especially effective for jump-type functions such as the sign function, and might therefore serve as a design principle for quantum algorithms. Rather than merely assisting after the problem was fixed, AI-assisted exploration, including workflows later integrated into the agentic AI-mathematician system AIM, played a key role in expanding this intuition into a route map, comparing candidate formulations, and converging toward sign embedding as the central framework. AIM then helped connect a known matrix-sign identity to wider classes of matrix equations and matrix functions, and drafted proof and complexity calculations. The decisive scientific judgments remained human: selecting which human-AI-expanded routes were worth pursuing, rejecting a Cayley-trapezoidal approximation when its validity required a hidden condition, and refining the Sylvester implementation from a coarse quadratic-gap query route to the final factorized and scaled analysis. The report argues that human-AI co-discovery workflows, with systems such as AIM as important components, are most valuable not as standalone theorem provers, but as research partners for problem formation, connection discovery, derivation, and skeptical review inside a human-gated research loop.

Recent advances in Machine Learning have transformed numerous industrial sectors, yet classical paradigms face fundamental limitations: rapidly growing data volumes, rising computational costs, significant energy consumption, and the physical scaling limits of conventional hardware architectures. Quantum computing has emerged as a promising computational paradigm to address these challenges, giving rise to the field of Quantum Machine Learning (QML). In this thesis, the theoretical foundations of QML are investigated, with a focus on near-term and future practical applications. Three central challenges are addressed: the trainability of variational quantum circuits, their expressivity, and their resistance to efficient classical simulation. The trainability of Hamming-weight preserving variational quantum circuits is first studied, and theoretical guarantees are established that resolve an open conjecture on the absence of barren plateaus for this circuit family. Subspace-preserving QML algorithms are then introduced, including photonic circuits and quantum convolutional neural networks, and are designed to mimic classical ML subroutines while offering polynomial quantum advantage. Finally, variational quantum circuits are analyzed as quantum Fourier models, and a framework is derived to jointly characterize expressivity and trainability, from which conditions are obtained under which quantum models provably separate from their classical counterparts. These contributions are intended to advance the theoretical roadmap for harnessing near-term and future quantum technologies in real-world applications.

As multi-drone fleets scale, zone assignment rapidly evolves into an intractable NP-hard combinatorial problem that overwhelms classical exhaustive search. While quantum optimization promises to shatter these classical bottlenecks, mapping complex spatial tasks from human intent to restricted quantum hardware remains a severe challenge. To bridge this gap, we present an end-to-end framework integrating a fine-tuned Large Language Model (LLM) front-end with a highly scalable, domain-specific quantum-classical backend. The front-end utilizes Supervised Fine-Tuning (SFT) and Direct Preference Optimization (DPO) to translate free-form natural language instructions into structurally robust Quadratic Unconstrained Binary Optimization (QUBO) constraints without false negatives. To overcome the strict qubit limits of near-term quantum devices, our framework features a novel constraint-preserving graph partitioner and a compressed separator-based dynamic programming (DP) merge. By structurally encoding constraints via W-state initialization and XY-mixers in Conditional Value-at-Risk Quantum Approximate Optimization (CVaR-QAOA), the pipeline stays highly compact. Empirical results demonstrate that this architecture circumvents classical scaling walls, recovering the global optimum on 100% of idealized oracle cases and 96.3% under real QAOA sampling, enabling natural-language-guided task allocation at previously intractable scales.

This paper presents a two-stage Hybrid Classical-Quantum (HCQ) pipeline for binary Alzheimer's disease (AD) classification from 3D T1-weighted structural MRI volumes, where the classical and quantum components are designed to complement each other rather than operate independently. A supervised 3D $β$-variational autoencoder (VAE) is trained end-to-end under voxel-wise reconstruction, KL-divergence, and focal classification losses that compress each 3D MRI volume (resized from 152 x 184 x 152 to 96 x 96 x 96) into a 64-dimensional latent code. Partial Least Squares (PLS) regression selects the six components in the latent code that best separate Alzheimer's Disease (AD) from cognitively normal (CN) subjects and rescales them into rotation angles, which are encoded onto a six-qubit register using the ZZ quantum feature map to give us the respective quantum states. The input to a precomputed-kernel Support Vector Machine (SVM) is an N x N Gram matrix (N = 308), created by calculating the overlap between every pair of quantum states. The novelty of this work lies in the fact that the quantum kernel operates directly on disease-aware features that are learned end-to-end by a supervised autoencoder, rather than on pre-extracted inputs. On 308 ADNI-1 subjects, consisting of 137 AD and 171 CN subjects, the baseline achieved 67.2% accuracy and 0.759 AUC, while the stability-enhanced variant reached 72.1% accuracy and 0.799 AUC with cross-fold variance halved. 3D Grad-CAM further helped validate our model's focus on brain regions linked to Alzheimer's. The HCQ pipeline could serve as a general-purpose framework for diagnostic classification across biomedical imaging domains that present similar challenges for classical approaches.