Retrospective Orthogonal Design: Response-Surface Reconstruction from Observational Data
Authors: Lawrence Fulton, Christopher Fulton, Arvind Sharma, Aleksandar Tomic
Organizations: Applied Analytics, Boston College · United States Air Force Test Pilot School, Edwards Air Force Base
Abstract
Regression estimates from observational data can depend on specification under multicollinearity, while sequential sums of squares (SS) depend on term order. We introduce Retrospective Orthogonal Design (ROD), which reconstructs conditional mean surfaces on a probability-balanced lattice. ROD preserves observed cell means, completes unsupported cells, applies weighted tensor-product contrasts, and evaluates the reconstructed surface through piecewise-affine interpolation over Freudenthal polyhedra. Resolution and completion are selected jointly by validation among rank-admissible candidates, followed by refitting and evaluation on an untouched test set. For an admissible lattice, X⊤WX=cI, yielding specification-invariant contrast effects and unique, order-independent SS within the retained contrast space. Response-free projection calibration maps the fixed reconstruction onto a declared scientific basis and corrects finite-resolution recovery loss. Across 6,480 simulation conditions spanning nine data-generating processes, ROD matched or exceeded polynomial regression in five processes and performed strongest on threshold, sign-interaction, and localized surfaces. For the quadratic-interaction process, mean out-of-sample R2 differed by only 0.0001, while calibrated coefficient bias remained small across prespecified targets. A Rao-based information adjustment provides dependence-aware sample-size guidance for ROD planning. In a weighted Mincer application, ROD produced the highest out-of-sample R2 point estimate, with substantial interval overlap with polynomial regression, and provided exhaustive SS allocations invariant to term-entry order.
This paper analyzes bidirectional random projections for ordinary least squares (OLS) regression under the fixed design setting. Let (X,Y)∈Rn×p×Rn be a sample and R∈Rn1×n,W∈Rp×p1 be two properly distributed random projections. We develop an expected excess loss bound for the OLS estimator built on (WXR,WY). Compared to an established bound for OLS estimator built on (XR,Y), the gap is approximately O(p1+Cp11), where C scales with n1/n and can be negative for small n1/n. Its implications are confirmed by numerical results on real-world data.
In this paper, we consider the scalar-on-function linear regression model under a realistic sampling scheme in which the functional covariates are observed on a regular grid and contaminated by additive noise. We propose a two-step estimation procedure: first, the underlying curves are reconstructed from the discrete noisy observations using a Fourier-based projection method; second, the slope function is estimated by a penalized least-squares criterion over finite-dimensional trigonometric spaces, with data-driven selection of the model dimension. We establish oracle-type inequalities for the prediction error, both with respect to the reconstructed curves and to the true latent curves. Under regularity assumptions on the slope function and polynomial decay of the eigenvalues of the covariate, we derive convergence rates for the prediction error and show that our estimator attains the minimax rate when the number of grid points is sufficiently large. Finally, the proposed method is illustrated on simulated data and on a real meteorological dataset.
Hyperparameter tuning almost always means search: fit the model at every value on a grid, score each by cross-validation, and keep the winner. For spline regression that search is unnecessary. The optimal resolution can be solved for in closed form, to the accuracy an exhaustive search reaches, at a fraction of the compute. Three ingredients make this possible: classical approximation theory pins the squared bias to a known power of the resolution G, exactly the Kolmogorov n-width of the smoothness class; the basis dimension is an explicit polynomial in G; and leave-one-out error follows from a single fit via the PRESS identity. Balancing the two known curves gives the minimizer analytically. We extend this calculus to many coordinates by replacing ambient input dimension with interaction order, the number of active low-order components in an ANOVA decomposition, yielding a scaling law in which the optimal resolution and error are power functions of the effective density (sample size per active component), with input dimension absent from the exponent. The law becomes an algorithm. KORE (Kolmogorov-optimal Order-aware Resolution Estimation) fits two pilot resolutions, solves a leverage-calibrated 2x2 system for the bias and noise scales, and evaluates the closed-form plug-in resolution with a tiny leave-one-out certificate: about a dozen fits instead of a full grid sweep, with a consistency guarantee as the sample grows. Across additive and sparse pairwise targets up to 80 input dimensions, KORE matches exhaustive 3-fold cross-validation and the full classical ladder (GCV, Mallows' Cp, AIC, BIC) while fitting roughly 8x fewer models; on 36 real tabular datasets it ranks first among 21 methods in accuracy per unit of compute, ahead of tuned boosters and kernel machines. When complexity lives in low interaction order, solving for the resolution beats searching for it.