Doing well with less! On Sampling Techniques for Empirical Pairwise Loss Estimation/Minimization

Quantile regression provides a powerful tool for summarizing the conditional distribution of a real valued random variable (r.v.) of interest $Y$ as a function of covariates $Z$ in cases where it shows a large dispersion with high probability, going beyond the situation where standard least square regression is informative/predictive. This article aims to extend this methodology to the pairwise case, when the variable to be explained takes the form of a similarity function between two independent observations, such as pixelated ID photos, as input data of biometric systems) and the explanatory variables take the form of a pair of covariates of the observations, such as the age or the hair color. We establish theoretical guarantees for solutions of this statistical learning problem, considered here as empirical minimizers of a pairwise version of the pinball loss. Leveraging sharp concentration results for $U$-processes, we prove generalization bounds and identify mild conditions under which fast learning rates can be achieved. Confirming the probabilistic analysis, experiments based on simulation data also provide solid empirical evidence of the validity of the methodology promoted here for pairwise quantile regression. Finally, its usefulness from an application perspective is demonstrated by a detailed study aimed at analyzing errors in similarity scoring for facial recognition.

We study the coupled objective J_K^WOR = E_{S ~ PL-WOR_K}[max_{i in S} R_i]: the expected maximum reward of a size-K Plackett-Luce draw without replacement, the law of Gumbel-Top-K / Stochastic Beam Search decoding. This estimand differs from the conventional i.i.d. objective J_K^iid = E[max_{i<=K} R_i] targeted by existing sample-reuse Max@K estimators, and reusing their i.i.d. weights under the coupled sampler is provably biased (a closed-form three-item instance gives E[g_iid] = (4/5) grad J_K^WOR exactly; pass@K under the coupled sampler is the binary-reward special case). Generic joint-score REINFORCE is already unbiased for J_K^WOR; what it lacks is sample reuse. Our contribution is to instantiate standard rank-conditioned Horvitz-Thompson estimation for the J_K^WOR subset total: from one Gumbel-Top-n pool (n>K) and its observed priority threshold we build an estimator that reuses all C(n,K) embedded K-subsets, unbiased with an unbiased exact score-function surrogate gradient, plus a reward-sorted Max-specific dynamic program that collapses the C(n,K)-term subset sum (with K!-cost set probabilities) exactly to a one-dimensional integral. A fixed-Q quadrature evaluation costs O(n log n + nKQ) arithmetic and is numerically, not algebraically, exact; no epsilon-approximation rate is certified. Each nonzero degree-K Horvitz-Thompson term has finite second moment exactly when n >= 2K; under the same assumptions the full surrogate gradient has finite second moment whenever n >= 2K (sharpness there is open). At K=1 the construction recovers classical priority sampling. All quantities require only the values and differentiable computation graphs of the n+1 drawn items' probabilities, so finite structured sequence policies sampled by exact SBS are covered. A certified finite-Q quadrature bound and countably infinite support remain open. Validation code is included as ancillary files.

Many machine learning models are defined for inputs of different sizes, such as point clouds containing different numbers of points, sequences of tokens of different lengths, and graphs on different numbers of nodes. Such models are trained on finitely many examples of necessarily limited sizes. How well do these models generalize from inputs of small size to larger inputs of size not seen during training? Furthermore, evaluating such models on large inputs is often expensive. How can we sketch large inputs to obtain smaller ones on which the model takes similar values? At the heart of both questions is the need to compare inputs of different sizes and to approximate large inputs by small ones. We present a unified approach to address these questions by using random sampling maps to compare inputs of different sizes. The sampling maps we consider are generalizations of sampling with replacement, random binning, and species sampling. We characterize the application domains in which each type of sampling is appropriate in terms of the symmetries and relations between problem instances of different sizes in the domain. Our framework yields explicit generalization and sketching rates for function classes continuous with respect to a chosen notion of sampling, encompassing large families of functions defined on sequences, graphs, and tensors of different sizes. Specific examples include moment polynomials on measures, homomorphism densities and numbers of graphs, permutation-invariant transformers, and graph neural networks.