A Closed-Form Adaptive-Landmark Kernel for Certified Point-Cloud and Graph Classification
About
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 $\lambda(\tau;\nu)$ 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 $\lambda$, 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 $O((k-1)\sqrt{K}/(\gamma\sqrt{m_{\min}}))$ with binary necessity threshold $m = \Omega(\sqrt K/\gamma)$ from a matching Le Cam lower bound, and a closed-form filtration-selection rule. The kernel-Mahalanobis margin $\hat\rho_{\mathrm{Mah}}$ is the strongest closed-form ranker across the chemical-graph pool (mean Spearman $\rho \approx +0.60$); the isotropic surrogate $\hat\gamma/\sqrt{K}$ admits a selection-consistency rate, and $\widehat{\lambda}$ 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).
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Graph Classification | PROTEINS | Accuracy71.8 | 1252 | |
| Graph Classification | MUTAG | Accuracy90.9 | 1103 | |
| Graph Classification | NCI1 | Accuracy71.3 | 658 | |
| Graph Classification | IMDB-M | Accuracy41.1 | 425 | |
| Graph Classification | DD | Accuracy76.2 | 300 | |
| Graph Classification | COX2 | Accuracy81.7 | 161 | |
| Graph Classification | IMDB-B | Mean Accuracy64 | 159 | |
| Graph Classification | DHFR | Accuracy81 | 145 | |
| Classification | Orbit5k | Accuracy91.3 | 17 | |
| Graph Classification | PTC | Mean Accuracy63 | 11 |