Learning Kernels by Alignment for Multiclass Bayes Classification

We study the task of agnostic learning of multiclass linear classifiers under the Gaussian distribution. Given labeled examples $(x, y)$ from a distribution over $\mathbb{R}^d \times [k]$, with Gaussian $x$-marginal, the goal is to output a hypothesis whose error is comparable to that of the best $k$-class linear classifier. While the binary case $k=2$ has a well-developed algorithmic theory, much less is known for $k \ge 3$. Even for $k=3$, prior robust algorithms incur exponential dependence on the inverse of the desired accuracy in both complexity and representation size. In this work, we develop new structural results for multiclass linear classifiers and use them to design fully polynomial-time robust learners with dimension-independent error guarantees. Our first result shows that the standard multiclass perceptron algorithm requires super-polynomially many samples and updates, even with clean labels and Gaussian marginals, revealing a basic obstruction absent in the binary case. Our main positive result is a pairwise improper-learning framework which yields an efficient learner with error $\widetilde O(k^{3/2}\sqrt{\mathrm{opt}})+ε$ for general $k$. Additionally, we develop a sharper localization-based framework which leads to error $O(\mathrm{opt})+ε$ for $k=3$, and error $\mathrm{poly}(k)\mathrm{opt}+ε$ for geometrically regular $k$-class linear classifiers.

We introduce PALACE (Persistence Adaptive-Landmark Analytic Classification Engine), the data-adaptive companion to PLACE, paying a small cross-validation tier on three knobs (budget, radii, bandwidth; $\leq 5$ choices each). A cover-theoretic core (Lebesgue-number criterion on the landmark cover) yields four closed-form guarantees. (i) A structural lower distortion bound $λ(τ;ν)$ on $\mathcal{D}_n$ under cross-diagram non-interference, with a $(D/L)^2$ budget reduction over the uniform grid when diagrams concentrate. (ii) Equal weights $w_k = K^{-1/2}$ maximizing $λ$, and farthest-point-sampling positions $2$-approximating the optimal $k$-center covering radius; both derived from training labels alone, no gradient training. (iii) A kernel-RKHS classification rate $O((k-1)\sqrt{K}/(γ\sqrt{m_{\min}}))$ with binary necessity threshold $m = Ω(\sqrt K/γ)$ from a matching Le Cam lower bound, and a closed-form filtration-selection rule. The kernel-Mahalanobis margin $\hatρ_{\mathrm{Mah}}$ is the strongest closed-form ranker across the chemical-graph pool (mean Spearman $ρ\approx +0.60$); the isotropic surrogate $\hatγ/\sqrt{K}$ admits a selection-consistency rate, and $\widehatλ$ from (i) provides an independent data-level signal (positive on COX2 and PTC). (iv) A per-prediction certificate, in non-asymptotic Pinelis and asymptotic Gaussian forms, with no calibration split. Empirically, PALACE is the strongest closed-form diagram-based method on Orbit5k ($91.3 \pm 1.0\%$, matching Persformer), leads every diagram-based competitor on COX2 and MUTAG, and is competitive on DHFR (within 1 pp of ECP). At $8\times$ domain inflation, adaptive placement maintains $94\%$ while the uniform grid collapses to chance ($25\%$ on 4-class data).

Kernel methods are powerful tools in machine learning but commonly used full-Gram kernels face three key limitations: (1) quadratic scaling with training set size; (2) the use of fixed, non-trainable kernels; and (3) the absence of an intrinsic formulation for multiclass classification. We present McQuack, a trainable quantum kernel method for multiclass problems that achieves linear scaling in the number of training samples. This is accomplished by replacing the full training-set Gram matrix with a trainable sample-to-(class-centroid) fidelity matrix. We evaluate the model in simulation and on 124 qubits of two IBM devices, across more than 150 datasets. In simulation, McQuack outperforms existing "pure" quantum baselines, while results from hardware inference -- obtained without training -- achieve performance similar to an RBF kernel. Finally, we study the trainability of the model and observe no evidence of barren plateaus in our experiments with up to 13 qubits, and highlight the importance of parameter initialization for successful optimization.