18.3MLMay 7
Kernel Selection is Model Selection: A Unified Complexity-Penalized Approach for MMD Two-Sample TestsYijin Ni, Xiaoming Huo
The Maximum Mean Discrepancy (MMD) is a cornerstone statistic for nonparametric two-sample testing, but its test power is dictated entirely by the chosen kernel. Because any fixed kernel inherently fails to distinguish certain distributions, the kernel must be dynamically optimized. However, data-driven optimization violates the foundational i.i.d. assumption, forcing a strict trade-off in existing frameworks. Ratio criteria ignore this dependence, inducing overfitting and variance collapse on rich kernel classes. Conversely, aggregation methods bypass the dependence using finite grids, but this strategy cannot scale to continuous search spaces like deep kernels. To break this dichotomy, we establish data-driven kernel selection as a model selection problem. We propose Complexity-Penalized MMD (CP-MMD), a criterion derived by applying the two-sample uniform concentration inequality of preceding works to the post-optimization MMD problem. The resulting penalty bounds the empirical MMD by the complexity of the kernel search space, mathematically absorbing the cost of optimization, so that CP-MMD enables direct, grid-free maximization over continuous parametric classes, including scalar bandwidths, polynomial feature bandwidths, and deep network parameters. By formally accounting for optimization complexity, we prove that CP-MMD maximizes true test power while ensuring unconditional Type-I validity. Consequently, CP-MMD enables grid-free kernel selection across linear, polynomial-feature, and deep regimes, matching or exceeding state-of-the-art test power.
9.6LGApr 12
Online Covariance Estimation in Averaged SGD: Improved Batch-Mean Rates and Minimax Optimality via Trajectory RegressionYijin Ni, Xiaoming Huo
We study online covariance matrix estimation for Polyak--Ruppert averaged stochastic gradient descent (SGD). The online batch-means estimator of Zhu, Chen and Wu (2023) achieves an operator-norm convergence rate of $O(n^{-(1-α)/4})$, which yields $O(n^{-1/8})$ at the optimal learning-rate exponent $α\rightarrow 1/2^+$. A rigorous per-block bias analysis reveals that re-tuning the block-growth parameter improves the batch-means rate to $O(n^{-(1-α)/3})$, achieving $O(n^{-1/6})$. The modified estimator requires no Hessian access and preserves $O(d^2)$ memory. We provide a complete error decomposition into variance, stationarity bias, and nonlinearity bias components. A weighted-averaging variant that avoids hard truncation is also discussed. We establish the minimax rate $Θ(n^{-(1-α)/2})$ for Hessian-free covariance estimation from the SGD trajectory: a Le Cam lower bound gives $Ω(n^{-(1-α)/2})$, and a trajectory-regression estimator--which estimates the Hessian by regressing SGD increments on iterates--achieves $O(n^{-(1-α)/2})$, matching the lower bound. The construction reveals that the bottleneck is the sublinear accumulation of information about the Hessian from the SGD drift.
CLOct 10, 2025
Abductive Preference LearningYijin Ni, Peng Qi
Frontier large language models such as GPT-5 and Claude Sonnet remain prone to overconfidence even after alignment through Reinforcement Learning with Human Feedback (RLHF) and Direct Preference Optimization (DPO). For instance, they tend to offer the same conservative answer "No" to both questions "Can I eat the [food / potato chips] that has been left out overnight?" despite the latter requiring no refridgeration for safe consumption. We find that this failure is potentially attributed to a limitation of existing preference learning: it emphasizes selecting the correct response for a given prompt, while neglecting counterfactual prompts that should alter the response. To address this limitation, we propose abductive preference learning, a fine-tuning paradigm that reverses the conventional conditioning by learning preferences over prompts given a response. To validate this idea, we construct an abductive dataset derived from the HaluEval QA benchmark with 1,001 entries, implementing abductive DPO and its variant DPOP. Experiments reveal complementary strengths: standard methods improve response selection, abductive methods improve prompt discrimination, while a multitask objective unifies both. On the abductive dataset, multitask DPOP boosts accuracy from $90.0\%$ to $99.5\%$ in response selection and $54.7\%$ to $85.0\%$ in prompt discrimination, with qualitative evidence highlighting improved sensitivity to prompt differences. Finally, evaluation on AlpacaEval shows multitask DPOP improves win rate (from $5.26\%$ to $6.17\%$), confirming that abductive preference learning preserves the benefits of conventional preference optimization while addressing the overlooked challenge of counterfactual prompts.
MLAug 20, 2025
Kernel-based Equalized Odds: A Quantification of Accuracy-Fairness Trade-off in Fair Representation LearningYijin Ni, Xiaoming Huo
This paper introduces a novel kernel-based formulation of the Equalized Odds (EO) criterion, denoted as $EO_k$, for fair representation learning (FRL) in supervised settings. The central goal of FRL is to mitigate discrimination regarding a sensitive attribute $S$ while preserving prediction accuracy for the target variable $Y$. Our proposed criterion enables a rigorous and interpretable quantification of three core fairness objectives: independence (prediction $\hat{Y}$ is independent of $S$), separation (also known as equalized odds; prediction $\hat{Y}$ is independent with $S$ conditioned on target attribute $Y$), and calibration ($Y$ is independent of $S$ conditioned on the prediction $\hat{Y}$). Under both unbiased ($Y$ is independent of $S$) and biased ($Y$ depends on $S$) conditions, we show that $EO_k$ satisfies both independence and separation in the former, and uniquely preserves predictive accuracy while lower bounding independence and calibration in the latter, thereby offering a unified analytical characterization of the tradeoffs among these fairness criteria. We further define the empirical counterpart, $\hat{EO}_k$, a kernel-based statistic that can be computed in quadratic time, with linear-time approximations also available. A concentration inequality for $\hat{EO}_k$ is derived, providing performance guarantees and error bounds, which serve as practical certificates of fairness compliance. While our focus is on theoretical development, the results lay essential groundwork for principled and provably fair algorithmic design in future empirical studies.
LGMay 22, 2024
A Uniform Concentration Inequality for Kernel-Based Two-Sample StatisticsYijin Ni, Xiaoming Huo
In many contemporary statistical and machine learning methods, one needs to optimize an objective function that depends on the discrepancy between two probability distributions. The discrepancy can be referred to as a metric for distributions. Widely adopted examples of such a metric include Energy Distance (ED), distance Covariance (dCov), Maximum Mean Discrepancy (MMD), and the Hilbert-Schmidt Independence Criterion (HSIC). We show that these metrics can be unified under a general framework of kernel-based two-sample statistics. This paper establishes a novel uniform concentration inequality for the aforementioned kernel-based statistics. Our results provide upper bounds for estimation errors in the associated optimization problems, thereby offering both finite-sample and asymptotic performance guarantees. As illustrative applications, we demonstrate how these bounds facilitate the derivation of error bounds for procedures such as distance covariance-based dimension reduction, distance covariance-based independent component analysis, MMD-based fairness-constrained inference, MMD-based generative model search, and MMD-based generative adversarial networks.