Pareto-optimal quantum kernel selection for unsupervised anomaly detection on real malware beaconing data

Similarity in many decision systems is governed not by distance alone but by interactions among variables. In fraud and anomaly detection, small local perturbations can cross interaction-sensitive decision boundaries while leaving ambient distance almost unchanged. Motivated by this setting, we introduce a thin-slab interaction model and an interaction-driven quantum kernel constructed from entangled Pauli-string feature maps. The feature map explicitly encodes sparse high-order block interactions. We show that the resulting fidelity kernel is positive semidefinite, admits an exact block-factorized formulation, and induces a geometry sensitive to changes in interaction regime. Across balanced and imbalanced synthetic experiments spanning third-, fourth-, sixth-, and eighth-order interactions, the proposed kernel consistently outperforms linear, radial basis function, Laplacian, and polynomial kernels, as well as an engineered-interaction linear baseline supplied with the planted block products. On real fraud-detection benchmarks, it achieves the highest mean accuracy and F1 on Credit Card Fraud Detection and ranks second on IEEE-CIS Fraud Detection. Executed on a 156-qubit IBM Quantum processor in a fourth-order setting, the hardware-estimated kernel matches the noise-free simulator within seed-to-seed variability and retains its advantage over the baselines. These findings show that quantum-kernel performance depends on alignment between feature-map geometry and the underlying predictive structure, rather than on Hilbert-space dimension alone. Because the prescribed block-factorized kernel can also be evaluated exactly on a classical computer, the results establish predictive and representational value rather than computational quantum speedup.

A core task in quantum anomaly detection is to compute an anomaly score that quantifies how strongly a test quantum state deviates from a given quantum dataset assumed to be normal. Classically, principal component analysis (PCA) for centered data computes the anomaly score by evaluating the test sample relative to the subspace spanned by the selected leading eigenvectors. However, for quantum data that lack a standard centering, explicitly recovering principal eigenvectors, constructing full Gram matrices, or loading quantum-random-access-memory-style data can be more costly than estimating the anomaly score itself. To avoid these costs, we propose Quantum Spectral Anomaly Detection (QSPADE), which computes PCA-like anomaly scores directly from the spectrum of the average state of the normal dataset. By replacing hard PCA rank selection with a smooth, temperature-controlled spectral threshold, QSPADE makes near-threshold spectral components contribute partially to the anomaly score. This makes the score vary continuously rather than jump when a borderline component is included or excluded, and makes it less sensitive to noise or arbitrary hard cutoffs near the threshold. In the zero-temperature limit, QSPADE recovers the hard-projector PCA score. The proposed measurement-based quantum detector can be calibrated with a sample complexity independent of the data dimension. Numerical simulations show that QSPADE behaves like kernel-PCA on encoded classical data and detects changes across a transverse-field Ising transition without predefined order parameters. Consequently, QSPADE gives an efficient framework for both quantum-kernel anomaly detection on encoded classical data and the monitoring of quantum-native systems where diagnostic observables are unknown.

Quantum kernel methods have been proposed as a promising approach for leveraging near-term quantum computers for supervised learning, yet rigorous benchmarks against strong classical baselines remain scarce. We present a comprehensive empirical study of quantum kernel support vector machines (QSVMs) across nine binary classification datasets, four quantum feature maps, three classical kernels, and multiple noise models, totalling 970 experiments with strict nested cross-validation. Our analysis spans four phases: (i) statistical significance testing, revealing that none of 29 pairwise quantum-classical comparisons reach significance at $α= 0.05$; (ii) learning curve analysis over six training fractions, showing steeper quantum slopes on six of eight datasets that nonetheless fail to close the gap to the best classical baseline; (iii) hardware validation on IBM ibm_fez (Heron r2), demonstrating kernel fidelity $r \geq 0.976$ across six experiments; and (iv) seed sensitivity analysis confirming reproducibility (mean CV 1.4%). A Kruskal-Wallis factorial analysis reveals that dataset choice dominates performance variance ($\varepsilon^2 = 0.73$), while kernel type accounts for only 9%. Spectral analysis offers a mechanistic explanation: current quantum feature maps produce eigenspectra that are either too flat or too concentrated, missing the intermediate profile of the best classical kernel, the radial basis function (RBF). Quantum kernel training (QKT) via kernel-target alignment yields the single competitive result -- balanced accuracy 0.968 on breast cancer -- but with ~2,000x computational overhead. Our findings provide actionable guidelines for quantum kernel research. The complete benchmark suite is publicly available to facilitate reproduction and extension.