Authors: Jaesung Yoo, Stefan Lemke, Jian Zhong Guo, Kanaka Rajan, Adam Hantman
Abstract
R2 score is the standard metric for evaluating regression tasks, offering a normalized magnitude-agnostic measure of accuracy that captures variance. However, R2 has three key limitations: it is limited to at most two dimensional inputs, it reduces the score to a single scalar that hides rich patterns of prediction accuracy, and it is sensitive to low-variance noise channels which can yield large, uninterpretable negative values. We introduce the Dimensional R2 score (Dim-R2), a simple extension of R2 that accepts data of arbitrary dimensionality, provides a multidimensional view of accuracy, and reduces sensitivity to noise. We demonstrate its advantages on both synthetic sinusoidal data and three multidimensional regression datasets. Dim-R2 offers an interpretable and flexible metric that highlights patterns in regression accuracy, guiding regression modeling.
Predicting outputs that are located in non-Euclidean spaces, such as probability distributions, networks, and symmetric positive-definite matrices, is becoming increasingly important in modern data analysis, particularly when inputs are high-dimensional. We propose DeSI (Deep Single-Index Fréchet Regression), a semiparametric framework for regression with metric space-valued outputs and multivariate inputs that assumes a single-index structure for the conditional Fréchet mean. DeSI estimates an interpretable index direction, which quantifies the relative importance of inputs, using a deep neural network, and performs Fréchet regression along the resulting one-dimensional index in the target metric space. This structure mitigates the curse of dimensionality while retaining interpretability, which stands in contrast to standard deep neural networks. We establish theoretical guarantees for DeSI, including uniform approximation and convergence rates, and demonstrate its strong predictive performance through simulations on distributions, networks, and symmetric positive-definite matrices, as well as an application to compositional mood data from New Jersey.
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.
An accurate assessment of a model's complexity is crucial for topics such as interpretation, generalization, and model selection. However, most existing complexity measures either rely on heuristic assumptions or are computationally prohibitive. In this paper, we present a mathematically rigorous yet easy-to-compute measure of model complexity that is based on the similarities between the model gradients across inputs. It is thus well-defined for any parametric model, but also for kernel-based non-parametric models. We prove that our measure of complexity generalizes model-specific complexity measures such as polynomial degree (for polynomial regression), kernel length scale (for Matérn kernels), number of neighbors (for k-nearest neighbors), number of splits (for decision trees), and number of trees (for random forests). We also use our measure to obtain new insights into the double descent phenomenon for random Fourier features, random forests, neural networks, and gradient boosting.