quantum machine learning engineers

Abstract: Parameterized quantum circuits are widely investigated in quantum machine learning, yet how their architecture can provide task-aligned inductive biases remains poorly understood. We study data reuploading quantum circuits with two distinct inputs: a signal that varies between samples and a fixed, task-defined spectral query that specifies how the signal should be probed. We show that encoding the query can change the circuit's hypothesis class over the signal by modulating how its existing signal frequencies are combined, without introducing new sample-dependent information. This mechanism matches tasks built on nonuniform Fourier transforms, whose evaluation frequencies specify the query and whose sampling positions guide its encoding. We examine this connection in a classification task inspired by synthetic aperture radar, where acquisition geometry determines a query for classifying unfocused spectral patches before image formation. Across small-scale spectral and radar-like tasks, aligned queries improve learning from limited data over parameter-matched circuits with mismatched or absent queries. These results provide a route from known spectral task structure to the design and validation of inductive biases in parameterized quantum circuits.

Abstract: Quantum kernels are among the most promising methods in quantum machine learning, providing a natural way to embed data into high-dimensional Hilbert spaces via quantum circuits and capturing non-linear relationships in data. Their learning behaviour is governed by the function class they represent, which is formally characterized by the structure of the associated Reproducing Kernel Hilbert Space (RKHS). However, a theoretical characterization of this function class, and of how it depends on the choice of feature map and its hyperparameters, is still lacking. In this work, we focus on the Instantaneous Quantum Polynomial (IQP) feature map and derive a Fourier representation of the associated RKHS generators as finite sums of trigonometric functions evaluated on polynomially transformed input variables, with a finite set of accessible frequencies determined by the circuit construction and scaled by the bandwidth hyperparameter. This representation identifies three bandwidth regimes with qualitatively distinct expressive properties from localised, through multimodal, to periodic. Numerical experiments on synthetic datasets with controlled periodic and multimodal structure, across data dimensions and feature-map configurations, reproduce the three regimes in both supervised classification and unsupervised anomaly detection, benchmarked against a classical Gaussian kernel. These results make the relationship between expressivity and data structure explicit for IQP kernels: expressive power translates into a practical benefit only when the accessible frequencies match with the structure of the data, which provides a criterion for selecting the bandwidth when the periodic or multimodal structure of data is known.

Abstract: Learning with data in the form of quantum states is of current interest and has led to a variety of problems that boil down to interaction with the available data via quantum measurement and classical post-processing of observed classical outcomes. In quantum measurement PAC learning, one is given a sequence of unknown, prepared quantum states and classical labels, along with a hypothesis class of candidate measurements. The task is to select a measurement from the hypothesis class that minimizes a fixed notion of error in prediction of the classical labels via measurement of a new state by the selected hypothesis. In this work, we consider the advantage of interacting with the given data in the measurement learning framework using learning rules given by measurements that cannot be implemented using local operations and classical communication (LOCC), as opposed to single-copy learning rules. We provide a construction showing that there exist learning scenarios wherein single-copy learning rules are asymptotically suboptimal compared to optimal ones. We then show that learning rules based on entangled measurements enjoy at most a polynomial sample complexity advantage over single-copy learning rules in the PAC learning setting (under a natural joint measurability covering assumption).

Abstract: Molecular property prediction is central to computational drug discovery, where graph neural networks learn to weight neighboring atomic environments during message passing. Yet it remains unclear how variational quantum circuits alter learned attention behavior in molecular graphs. We introduce an edge-aware variational quantum attention mechanism for molecular graph learning, in which the receiving atom, neighboring atom, and connecting bond jointly determine the quantum attention state. Across five molecular property and bioactivity prediction tasks, QGAT achieves competitive performance relative to GATv2, with a consistent improvement on BBBP across all six evaluated circuit ansatzes. We further compare how the quantum and classical attention scores weight molecular structure beyond accuracy. In the Verubecestat BACE1 inhibitor series, QGAT achieves a higher Spearman correlation than GATv2 and assigns positive attributions to several structural changes consistent with reported structure-activity relationships (SARs). This case study shows that the two attention mechanisms can exhibit different prediction and attribution behavior across structurally related BACE1 analogues, while broader validation is required to determine how consistently these differences generalize across chemical series and targets. Circuit ablations further show that performance depends on the circuit design. Together, these results show that variational quantum attention can serve as a viable alternative molecular attention parameterization while inducing circuit- and chemistry-dependent behavior distinct from a matched classical scorer.

Abstract: Hybrid quantum classical neural networks integrate parameterized quantum circuits (PQCs) with established deep learning architectures, but their performance depends strongly on the choice of quantum circuit architecture, a choice that remains largely manual. Most existing approaches rely on hand-designed or fixed circuit ansätze, requiring circuit structure, gate composition, and qubit connectivity to be specified in advance with no guarantee that they suit the task. This limitation is especially acute in image classification, where quantum circuits must transform features extracted by classical networks while remaining compact enough for practical training, requirements that generic, task-agnostic ansätze are unlikely to satisfy simultaneously. We extend EXAQC, an evolutionary framework for automated quantum circuit discovery, to image classification. EXAQC evolves PQCs as intermediate processing modules while retaining classical feature-extraction and prediction layers. On MNIST, Fashion-MNIST, and CIFAR-10, EXAQC achieves 98.42%, 90.62%, and 85.47% accuracy, respectively, while using comparable gate counts to other quantum architecture-search methods. Against classical networks, evolved hybrid models maintain comparable accuracy with substantially fewer trainable parameters, reaching 85.68% on CIFAR-10 with over 25$\times$ fewer parameters than a 10-layer CNN. Encoding choice also matters: rotation-based encodings (RX, RY, U3) outperform amplitude encoding by 22-25 points on CIFAR-10. These results demonstrate that automated circuit discovery yields compact quantum modules that can replace larger classical components in vision architectures while retaining competitive accuracy.

Abstract: Removing an input-scaling module changes both a classifier and the perturbations reaching its encoder. A robustness difference can therefore reflect the comparison rule as well as the module. We demonstrate this problem in a four-qubit quantum-attention detector on generated power-grid trajectories. A learned scaling module appears beneficial at a fixed physical attack budget, but matching an upper bound on perturbations at the encoder reverses the ordering. Neither comparison alone establishes a robustness benefit caused by the module. The initial test also perturbs clean examples into attacked examples while retaining their original labels; tests restricted to already attacked examples do not establish a benefit. Replacing a trained model's input scales disrupts detection. Retraining its linear classification layer restores the detection rate, but changes individual predictions, leaving the comparison descriptive rather than causal. Two further design checks explain why the input quantum Fisher information regularizer cannot train this model's query parameters, and why removing confidence bounds does not establish a larger certified radius. The evidence is limited to ten seeds, exact simulation, synthetic data, and a restricted set of attacks; classical baselines achieve better clean prediction. The practical lesson is to specify which perturbation budget is fixed, check that attacks preserve labels and interventions preserve predictions, and distinguish exploratory controls from confirmatory evidence.

Abstract: Quantum Signal Processing is a powerful quantum framework for generating and approximating univariate polynomials. However, QSP is often limited by circuit-depth bottlenecks and parity constraints on the class of realizable polynomials. In this work, we introduce Weighted Quantum Signal Processing, an extension of QSP in which a weight function is assigned to the central rotation operator. This formulation provides a deeper understanding of QSP, which emerges as the special case of WQSP with unit weights. The choice of weights determines the structure and expressive capabilities of WQSP circuits. When the weights are natural numbers greater than one, WQSP reduces to a pruned version of QSP, revealing parameter redundancies in the standard framework. Through appropriate selection of integer weights, WQSP achieves linear-to-exponential reductions in the number of parameters required to realize arbitrary bounded univariate polynomials while preserving approximation quality. For generic weights, we establish corresponding approximation error bounds and show that, in many cases, the approximation is exact. We analyze WQSP from both a deterministic perspective, where polynomial generation is formulated as the solution of a linear system, and a quantum machine learning perspective, where WQSP serves as a structured and expressive quantum learning model. We further employ this learning framework to parameterize learnable activation functions in Kolmogorov--Arnold Networks for multivariate function approximation. Our results show that WQSP provides a compact, flexible, and theoretically grounded framework for realizing arbitrary univariate polynomials while requiring significantly fewer trainable parameters than conventional QSP. This yields expressive and parameter-efficient neural architectures, highlighting the potential of WQSP as a scalable primitive for quantum-enhanced machine learning.

Abstract: Differential privacy provides a mathematical framework for guaranteeing privacy for sensitive data. In quantum information processing, the interaction of privacy constraints with quantum resources such as entanglement remains a question of interest. Given that the utility of many protocols, and often the presence of a quantum advantage, relies on quantum resources such as entanglement, it is crucial to understand when a privacy requirement for a quantum channel is compatible with the channel's ability to preserve entanglement. We study this question for quantum local differential privacy (QLDP). Our main result shows that every $\varepsilon$-QLDP channel with a $d$-dimensional input is entanglement-breaking whenever $\varepsilon\leq\log\frac{d}{d-1}$. We also prove an approximate version for $(\varepsilon,δ)$-QLDP, where channels in the same high-privacy regime are close in diamond norm to an entanglement-breaking channel. We further prove a composition result for a collection of private quantum channels having entangled inputs and global measurements in the high-privacy regime. Finally, we apply our results to private quantum learning theory. We prove that any learning protocol using arbitrary quantum memory on copies of the output of an entanglement-breaking channel can be simulated by a protocol that measures the corresponding unprocessed input copies one at a time while storing only classical information. Combining this result with our high-privacy entanglement-breaking theorem, we show that under sufficiently private local noise, a learning protocol with quantum memory for purity testing and bipartite product testing is subject to the sample complexity lower bounds for protocols with single-copy measurements on the noiseless tasks. We also obtain stronger sample complexity lower bounds when a single highly private channel acts on the entire multipartite input.