score function
Conformal Prediction with Macro-Coverage Guarantees
Bhattacharyya, Aabesh, Ding, Tiffany, Barber, Rina Foygel
Prediction sets should have high coverage to be useful, but some coverage notions are more practically relevant than others. In the classification setting, class-conditional coverage requires that the prediction set (i.e., the set of candidate labels for a new test point) must achieve the target accuracy level within each class, which may be challenging to satisfy when many classes are rare and have few calibration points. At the other extreme, marginal coverage requires only that coverage holds on average over the distribution of all classes, which can lead to low-probability labels being essentially ignored. To find a middle ground, recent work has introduced macro-coverage, defined as the unweighted average of class-conditional coverages. Macro-coverage offers a compromise between marginal coverage and class-conditional coverage that is particularly appropriate for long-tailed settings. In this work, we show that label-weighted conformal prediction can be used to produce prediction sets with a finite-sample macro-coverage guarantee, and more generally a guarantee on a family of generalized macro-coverage objectives that aggregate coverage at the level of arbitrary class groupings and take a weighted average. We further characterize the form of the smallest prediction sets satisfying a given generalized macro-coverage objective and propose a corresponding conformal score function. We validate our theoretical results on two large-scale image classification datasets.
Multi-Source Transfer Learning of Sparse Single-Index Models
Transfer learning leverages knowledge from related source domains to improve learning in a target domain. Recent theoretical advances cover a broad range of regression settings within (generalized) linear models. Despite their diversity, these methods share two common constraints: they assume a known link function or linear structure and require direct access to raw source data. To move beyond these constraints, we propose a source-data-free transfer learning framework based on the single-index model (SIM). Instead of requiring raw source data, our method transfers only summary statistics derived from a generalized Stein's lemma in a one-time communication. This design preserves privacy and avoids side effects caused by dissimilarities of unknown nonlinear link functions across domains. To capture flexible, unknown nonlinearity, we employ a multilayer perceptron guided by the pre-estimated index from the transferred statistics, which significantly mitigates overfitting. Extensive experiments on synthetic data and a real-world application demonstrate consistent improvements over existing (generalized) linear model-based approaches. The proposed framework thus offers a practical, privacy-preserving, and nonlinear-adaptive solution for transfer learning.
Conformal Bayes under Label Shift: Post-Hoc Calibration vs. In-Training Adaptation
Conformal Bayes combines Bayesian posterior predictives with conformal calibration to produce prediction sets that are both statistically valid and geometrically efficient. We study conformal Bayes under label shift from a unified perspective, identifying two complementary approaches that restore nominal target-domain coverage through importance-weighted conformal calibration but operate through independent mechanisms. \emph{Post-hoc calibration} tilts the posterior predictive toward the target domain and corrects the conformal threshold via an importance-weighted quantile, leaving the parameter posterior unchanged. \emph{In-training adaptation} tilts the parameter posterior itself to the target domain, producing a corrected predictive whose highest predictive density region serves as the highest predictive density (HPD)-based prediction set under the fitted target predictive; efficiency is model-dependent and does not imply finite-sample conditional optimality. Two controlled experiments isolate the regime-dependence of each strategy: in the low-dimensional, well-estimated regime Strategy~A produces the narrowest valid intervals, while in the high-dimensional, underdetermined regime Strategy~B achieves up to $43\%$ width reduction at unchanged coverage, under the stated source-sampling and label-shift assumptions.
SD-KDE: Score-Debiased Kernel Density Estimation
We propose a novel method for density estimation that leverages an estimated score function to debias kernel density estimation (SD-KDE). In our approach, each data point is adjusted by taking a single step along the score function with a specific choice of step size, followed by standard KDE with a modified bandwidth. The step size and modified bandwidth are chosen to remove the leading order bias in the KDE, improving the asymptotic convergence rate. Our experiments on synthetic tasks in 1D, 2D and on MNIST, demonstrate that our proposed SD-KDE method significantly reduces the mean integrated squared error compared to the standard Silverman KDE, even with noisy estimates in the score function. These results underscore the potential of integrating score-based corrections into nonparametric density estimation.
Conformal Prediction for Ensembles: Improving Efficiency via Score-Based Aggregation
Distribution-free uncertainty estimation for ensemble methods is increasingly desirable due to the widening deployment of multi-modal black-box predictive models. Conformal prediction is one approach that avoids making strong distributional assumptions. Methods for conformal aggregation have been proposed for ensembled prediction, where the prediction regions of individual models are merged to retain coverage guarantees while minimizing conservatism. Merging the prediction regions directly, however, can miss out on opportunities to further reduce conservatism by exploiting structures present in the conformal scores. We, therefore, propose a novel framework that extends the standard scalar formulation of a score function to a multivariate score that produces more efficient prediction regions. We then demonstrate that such a framework can be efficiently leveraged in both classification and predict-then-optimize regression settings downstream and empirically show the advantage over alternate conformal aggregation methods.
Diffusion Models Adapt to Low-Dimensional Structure Under Flexible Coefficient Choices
Cai, Changxiao, Jiao, Yuchen, Li, Gen
Diffusion models are known to exploit unknown low-dimensional structure to accelerate sampling. However, existing convergence theory under low-dimensional data structure has largely focused on update rules with narrowly prescribed coefficient choices. This raises a fundamental question: is adaptation to low-dimensional structure sensitive to the precise choice of update coefficients? In this paper, we show that such adaptation is a robust property of diffusion models. For a broad class of update coefficients, we prove that $\widetilde{O}(k/\varepsilon)$ iterations suffice to generate an $\varepsilon$-accurate sample in total variation (TV) distance, independently of the ambient dimension. Our framework substantially broadens the class of diffusion samplers known to enjoy low dimensional adaptation and applies to several commonly used methods in practice. These results provide a theoretical justification for the empirical effectiveness of diffusion samplers across different coefficient choices when applied to structured, high-dimensional data.
Advancing Wasserstein Convergence Analysis of Score-Based Models: Insights from Discretization and Second-Order Acceleration
Score-based diffusion models have emerged as powerful tools in generative modeling, yet their theoretical foundations remain underexplored. In this work, we focus on the Wasserstein convergence analysis of score-based diffusion models. Specifically, we investigate the impact of various discretization schemes, including Euler discretization, exponential integrators, and midpoint randomization methods. Our analysis provides the first quantitative comparison of these discrete approximations, emphasizing their influence on convergence behavior. Furthermore, we explore scenarios where Hessian information is available and propose an accelerated sampler based on the local linearization method. We establish the first Wasserstein convergence analysis for such a Hessian-based method, showing that it achieves an improved convergence rate of order eO( d/ฮต), which significantly outperforms the standard rate eO(d/ฮต2)of vanilla diffusion models.
Scalable and adaptive prediction bands with kernel sum-of-squares
Conformal Prediction (CP) is a popular framework for constructing prediction bands with valid coverage in finite samples, while being free of any distributional assumption. A well-known limitation of conformal prediction is the lack of adaptivity, although several works introduced practically efficient alternate procedures. In this work, we build upon recent ideas that rely on recasting the CP problem as a statistical learning problem, directly targeting coverage and adaptivity. This statistical learning problem is based on reproducible kernel Hilbert spaces (RKHS) and kernel sum-of-squares (SoS) methods. First, we extend previous results with a general representer theorem and exhibit the dual formulation of the learning problem.
Diffusion Transformers for Imputation: Statistical Efficiency and Uncertainty Quantification
Imputation methods play a critical role in enhancing the quality of practical timeseries data, which often suffer from pervasive missing values. Recently, diffusionbased generative imputation methods have demonstrated remarkable success compared to autoregressive and conventional statistical approaches. Despite their empirical success, the theoretical understanding of how well diffusion-based models capture complex spatial and temporal dependencies between the missing values and observed ones remains limited.