Technology
Controlling False Discovery in Arbitrarily Structured Hypothesis Spaces via Reproducing Kernels
Perets, Binyamin, Mannor, Shie
Large-scale hypothesis testing is central to modern science, where controlling the False Discovery Rate (FDR) has become the standard approach to managing false positives across many simultaneous tests. Hypotheses rarely exist in isolation; they often exhibit structure through proximity, connectivity, or hierarchy. This structure represents both a challenge and an opportunity: while classical methods treat these dependencies as obstacles requiring conservative correction, leveraging them can substantially increase discovery power. Here, we reframe structured FDR control as a regularized learning problem. By optimizing within a suitable Reproducing Kernel Hilbert Space (RKHS), we introduce a framework that unifies continuous domains, graphs, and hierarchies under a single algorithm through kernel choice alone. This formulation enables smooth solutions in place of the piecewise-constant fits of prior methods, principled likelihood-based hyperparameter selection rather than heuristic tuning, and inference at unobserved locations which in turn supports sample-efficient experimental design. Building on this estimator, we provide two decision rules which we prove to control the FDR. We validate our method on two sources: spatial locations derived from high-dimensional real-world datasets, and a differential gene expression task utilizing protein-protein interaction graphs.
Training Infinitely Deep and Wide Transformers
Barboni, Raphaël, de Hoop, Maarten V., Furuya, Takashi, Peyré, Gabriel
Transformers have become the dominant architecture in modern machine learning, yet the theoretical understanding of their training dynamics remains limited. This paper develops a rigorous mathematical framework for analyzing gradient-based training of transformers in the mean-field regime, where both the depth (number of layers) and width (number of attention heads) tend to infinity. While ResNet training can be understood as controlling a neural ODE, transformer training corresponds to controlling a neural PDE, due to the coupling of multiple token distributions through the attention mechanism. Our mean-field model features two types of measure representations: token distributions evolving through layers and attention parameters at each layer. We establish well-posedness of the forward pass through infinitely deep transformers, characterizing token evolution via flow maps that satisfy ODEs in function spaces. Using adjoint sensitivity analysis, we derive an explicit formula for the conditional Wasserstein gradient of the training risk, involving adjoint variables governed by backward ODEs. We prove the existence and uniqueness of gradient flow curves in the conditional Wasserstein metric space, establishing a rigorous foundation for gradient-based transformer training. A key technical contribution is providing necessary and sufficient conditions for injectivity of the Neural Tangent Kernel (NTK) for attention mechanisms: we show that NTK injectivity is equivalent to linear independence of log-sum-exp functions modulo affine functions, a condition satisfied by diverse token distributions, including discrete distributions, uniform distributions, and Gaussian mixtures. Under this NTK injectivity assumption, we prove that gradient flow converges to global minima when the initial loss is sufficiently small, eliminating spurious local minima from the optimization landscape.
On Gaussian approximation for entropy-regularized Q-learning with function approximation
Rubtsov, Artemy, Singh, Rahul, Moulines, Eric, Naumov, Alexey, Samsonov, Sergey
In this paper, we derive rates of convergence in the high-dimensional central limit theorem for Polyak--Ruppert averaged iterates generated by entropy-regularized asynchronous Q-learning with linear function approximation and a polynomial stepsize $k^{-ω}$, $ω\in (1/2,1)$. Assuming that the sequence of observed triples $(s_k,a_k,s_{k+1})_{k \geq 0}$ forms a uniformly geometrically ergodic Markov chain, and under suitable regularity conditions for the projected soft Bellman equation, we establish a Gaussian approximation bound in the convex distance with rate of order $n^{-1/4}$, up to polylogarithmic factors in $n$, where $n$ is the number of samples used by the algorithm. To obtain this result, we combine a linearization of the soft Bellman recursion with a Gaussian approximation for the leading martingale term. Finally, we derive high-order moment bounds for the algorithm's last iterate, which might be of independent interest.
Online Conformal Prediction for Non-Exchangeable Panel Data
Panel data, in which multiple units are repeatedly observed over time, arise throughout science and engineering. Quantifying predictive uncertainty in such settings is challenging because conformal prediction, while distribution-free and model-agnostic, classically relies on exchangeability assumptions that fail under temporal dependence and unit heterogeneity. We propose a simple online conformal framework for non-exchangeable panel data. The method exploits a key feature of online panel prediction: when a forecast is required for one unit, contemporaneous outcomes from related units may already be observed and can serve as a calibration panel. At each round, prediction sets are formed using currently observed calibration units together with two adaptive quantities: history-based similarity weights that emphasize calibration units resembling the target, and an adaptive miscoverage level that is updated whenever target feedback is revealed. This two-state design yields a stepwise coverage bound and a long-run coverage guarantee. Empirically, across synthetic and real panel data sets, the method improves coverage on the worst-covered target units through adaptive interval-width allocation rather than uniform inflation. The two states are complementary: similarity weights protect coverage when target feedback is sparse, while the adaptive level further improves coverage as feedback accumulates.
How does feature learning reshape the function space?
Lobo, João, Loureiro, Bruno, Tran-Than, Long, Liu, Fanghui
Feature learning is widely regarded as the key mechanism distinguishing neural networks from fixed-kernel methods, yet its impact on the induced function space remains poorly understood. In this work, we precisely characterize how the function space spanned by the features of a two-layer neural network evolves during gradient descent training. We prove that, in the high-dimensional proportional regime, after a large gradient step the post-update feature distribution is well approximated by a target-dependent spiked Gaussian covariance. This induces a data-adaptive kernel that reshapes the function space and modifies its spectral structure. Our analysis reveals that feature learning can be interpreted as a distributional transformation in either parameter space or input space, equivalently as the introduction of a target-dependent kernel. In particular, it selectively amplifies eigenvalues aligned with the target direction and mixes leading eigenfunctions, coupling the top radial mode with a target-aligned quadratic harmonic. Overall, our results provide a precise function-space perspective on early-stage feature learning: rather than just rescaling a fixed kernel, gradient descent induces a data-adaptive deformation that preferentially enhances directions aligned with the signal in the data.
StatQAT: Statistical Quantizer Optimization for Deep Networks
Aktukmak, Mehmet, Huang, Daniel, Ding, Ke
Quantization is essential for reducing the computational cost and memory usage of deep neural networks, enabling efficient inference on low-precision hardware. Despite the growing adoption of uniform and floating-point quantization schemes, selecting optimal quantization parameters remains a key challenge, particularly for diverse data distributions encountered during training and inference. This work presents a novel statistical error analysis framework for uniform and floating-point quantization, providing theoretical insight into error behavior across quantization configurations. Building on this analysis, we propose iterative quantizers designed for arbitrary data distributions and analytic quantizers tailored for Gaussian-like weight distributions. These methods enable efficient, low-error quantization suitable for both activations and weights. We incorporate our quantizers into quantization-aware training and evaluate them across integer and floating-point formats. Experiments demonstrate improved accuracy and stability, highlighting the effectiveness of our approach for training low-precision neural networks.
Testable and Actionable Calibration for Full Swap Regret
Bairaktari, Konstantina, Hu, Lunjia, Nguyen, Huy L., Ullman, Jonathan
AI generated predictions increasingly inform decision making in critical tasks, and therefore must be trustworthy. One widely used measure of trustworthiness is calibration, which requires that the predictions match the true frequencies and can be treated like real probabilities of a given outcome. However, defining calibration is subtle, and designing good measures of calibration error has been an active topic of recent research. The first goal is to find calibration measures that are actionable, meaning they can inform decision makers about their utility loss when predictions are treated as true probabilities, which is known as swap regret. The second goal is to find calibration measures that are testable, meaning that calibration error can be measured from a small sample of predictions and outcomes. Although these are very basic requirements, there is no existing calibration measure that fully satisfies both properties, and all existing measures relax actionability by bounding a weaker notion of swap regret, or relax testability by having suboptimal estimation error. We introduce a new calibration measure, Soft-Binned Calibration Decision Loss (SCDL), which we prove is fully actionable without weakening either requirement, and testable with nearly optimal error rate. In addition, SCDL satisfies other desired properties such as continuity and consistency. We also provide a set of experiments confirming that the theoretical advantages of SCDL compared to other measures lead to better performance in practice.
Comparing Two Categorical Gini Correlations with Applications to Classification Problems
This article proposes an inferential framework for comparing predictor importance in classification problems with categorical response variables. The approach is based on the categorical Gini correlation (CGC) proposed by Dang et al. (2020), a measure of dependence between numerical predictors and categorical outcomes. Predictor importance is evaluated by testing differences in CGCs across competing predictor groups. The proposed methodology accommodates predictors of arbitrary and unequal dimensions and allows for dependence between predictor groups. Asymptotic normality of the test statistic is established under both the null and alternative hypotheses, and the resulting test is shown to be consistent. In addition to deriving the asymptotic distribution, a nonparametric bootstrap procedure is developed as an alternative approach to inference. Simulation studies, along with applications to breast cancer and human activity recognition datasets, demonstrate the effectiveness of the proposed framework.
Self-Distillation is Optimal Among Spectral Shrinkage Estimators in Spiked Covariance Models
Lecoiu, Radu, Mukherjee, Debarghya, Sur, Pragya
Self-distillation has emerged as a promising technique for improving model performance in modern machine learning systems. We develop the statistical foundations of self-distillation in spiked covariance models, by introducing and analyzing a broad class of estimators, namely spectral shrinkage estimators. We establish that for spiked covariance matrices with $s$ spikes, $s$-step self-distillation achieves optimal performance among spectral shrinkage estimators, outperforming well-known estimators in statistics and machine learning. Moreover, we show that $s$ steps are necessary for optimality: any $(s-k)$-step distilled estimator is strictly suboptimal for $1 \leq k \leq s$. For the special subclass of isotropic covariances, we show that optimally tuned Ridge regression performs best among spectral shrinkage estimators. We also study a federated approach where multiple data centers share spectral shrinkage estimators and a common server seeks to aggregate them to achieve optimal performance. In this case, we find that the best local rule again takes the form of self-distillation, though it differs from the optimal rule when data are hosted centrally on a single server. Together, our results elucidate why self-distillation improves predictive performance and provide a broader statistical framework connecting it with classical shrinkage-based methods.
A Unified Framework for Data-Free One-Step Sampling via Wasserstein Gradient Flows
We develop a unified theoretical framework for data-free one-step sampling from unnormalized target distributions based on Wasserstein gradient flows. For a broad class of standard f-divergence objectives, we show that the induced velocity field admits the universal form $\mathbf{V}(x)=w(r(x))\,β(x)$, where $β(x)=\nabla \log (p(x)/q(x))$ is shared across objectives and $w$ is determined solely by the choice of divergence. This decomposition shows that standard f-divergence drifts share the same asymptotic target distribution $p$ and differ primarily in how they redistribute transient repair effort across under-covered regions. To formalize this distinction, we derive a one-step regional-response theory for a soft under-coverage functional and obtain a compression--elasticity identity that links divergence choice to the geometry of mass transport into under-covered regions. We further extend the framework beyond the f-divergence family to the Log-Variance (LV) divergence, analyze how the reference distribution alters the resulting drift structure, and motivate a practical LV-inspired surrogate for data-free training. Based on this theory, we instantiate the framework with a KDE-based implementation and describe a complementary normalizing-flow route, enabling one-step inference after training. Experiments on multimodal Gaussian-mixture benchmarks are consistent with the theoretical predictions and demonstrate effective one-step sampling on these targets.