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Uniform-in-time Propagation-of-Chaos for Stein Variational Gradient Descent

arXiv.org Machine Learning

We study uniform-in-time propagation-of-chaos for continuous-time Stein Variational Gradient Descent (SVGD). Classical finite-time propagation-of-chaos estimates for mean-field systems typically deteriorate rapidly with time and therefore do not directly explain the long-time relation between the finite-particle system and its mean-field limit. We obtain two complementary classes of uniform-in-time propagation-of-chaos results. For broad distributional metrics, we introduce a cutoff strategy which combines finite-time propagation-of-chaos estimates up to an $N$-dependent horizon with independent quantitative long-time convergence estimates for the finite-particle and mean-field SVGD flows. This yields uniform-in-averaging-time propagation-of-chaos bounds in Langevin kernel Stein discrepancy, Wasserstein-1 distance, and Wasserstein-2 distance, with logarithmic or iterated-logarithmic rates depending on the metric, target and kernel class. We also develop a finite-dimensional theory for matrix-valued finite-rank kernels. For Gaussian targets with bilinear kernels, the SVGD dynamics close exactly on first and second moments, yielding genuine uniform-in-physical-time parametric propagation-of-chaos rates in finite-dimensional Stein-feature metrics. We then prove a conjugacy principle showing that these feature-level estimates transfer to conjugate target-kernel pairs under orientation-preserving diffeomorphisms, thereby extending the theory to broad classes of nonlinear, including multimodal, targets. Together, these results highlight the contrast between generic distributional metrics, for which our general approach yields logarithmic rates, and closed finite-dimensional Stein observables, for which parametric $N^{-1/2}$ propagation-of-chaos rates persist uniformly in time.


Accelerating Conformal Prediction via Approximate Leave-One-Out

arXiv.org Machine Learning

While conformal prediction provides a general framework for uncertainty quantification in predictive inference, its application is often limited by computational cost. Recent methods, including Jackknife+ and Jackknife-minmax, achieve faster computation by trading a slight loss of efficiency relative to full conformal prediction, but still requires computing leave-one-out refits for all observations. In this paper, we further accelerate conformal prediction by incorporating approximate leave-one-out (ALO) estimators, and establish asymptotic coverage and efficiency. While our proof draws on methods developed for analyzing the consistency of ALO cross-validation risk estimators in high-dimensional statistics, it requires adaptations to handle conformal prediction, where leave-$i$-out residuals are needed for predictions at $x_{n+1}$ rather than just at the training covariate $x_i$. Simulation results validate our theoretical findings, showing that the ALO-based methods achieve coverage and efficiency comparable to the exact methods, while significantly reducing the runtime.


Bayesian Best-Arm Identification with Abstention: A Polynomial-to-Exponential Phase Transition

arXiv.org Machine Learning

We study the Bayesian fixed-budget best-arm identification problem in which a learner can abstain from making a terminal recommendation. Subject to an abstention budget $ฮฑ$, we analyze the probability of undetected error--the risk of recommending a suboptimal arm without abstaining. Our central finding is that abstention induces a phase transition: without abstention, the error probability decays polynomially in the sampling budget $T$; in contrast, introducing any small positive abstention budget shifts this to an exponential decay. For Gaussian priors and rewards, in the regime $T\to\infty$ followed by $ฮฑ\downarrow0$, we establish exact matching information-theoretic lower bounds and algorithmic upper bounds on the optimal error exponent, which takes the form $\exp(-\frac{ฮฑ^{2}T}{8ฮบ_ฮฝ^{2}})$. The hardness parameter $ฮบ_ฮฝ$ represents the prior density of the top-two gap at zero, highlighting that nearly tied instances drive the fundamental error. We introduce an adaptive algorithm, PGWS, that successfully achieves this optimal exponent by expending its abstention budget on statistically ambiguous instances. We further demonstrate that this polynomial-to-exponential improvement is exclusively a Bayesian phenomenon--in the frequentist setting, abstention only affects lower-order exponent terms. We also extend our results beyond the Gaussian model.


Learning Counterfactual Outcomes Under Rank Preservation

Neural Information Processing Systems

Counterfactual inference aims to estimate the counterfactual outcome at the individual level given knowledge of an observed treatment and the factual outcome, with broad applications in fields such as epidemiology, econometrics, and management science. Previous methods rely on a known structural causal model (SCM) or assume the homogeneity of the exogenous variable and strict monotonicity between the outcome and exogenous variable. In this paper, we propose a principled approach for identifying and estimating the counterfactual outcome. We first introduce a simple and intuitive rank preservation assumption to identify the counterfactual outcome without relying on a known structural causal model. Building on this, we propose a novel ideal loss for theoretically unbiased learning of the counterfactual outcome and further develop a kernel-based estimator for its empirical estimation. Our theoretical analysis shows that the rank preservation assumption is not stronger than the homogeneity and strict monotonicity assumptions, and shows that the proposed ideal loss is convex, and the proposed estimator is unbiased. Extensive semi-synthetic and real-world experiments are conducted to demonstrate the effectiveness of the proposed method.


Kernel of Partition Paths: A Unified Representation for Tree Ensembles

arXiv.org Machine Learning

A recent line of work has reframed individual decision trees as linear models on engineered features associated with their splits, opening routes for oracle inequalities and featureimportance reinterpretation, but leaving open the question of what unified geometric object a forest induces when one indexes its feature map by nodes rather than by splits. The present paper studies that object. KPP indexes the feature map by the nodes of the forest, weighted by a path metric that turns each coordinate into a component of a squared-Euclidean pathisometric embedding. KPP unifies four pillars under a single node-indexed representation whose Gram is non-diagonal and carries a metric: prediction, exact additive attribution, deterministic Lipschitz robust radius in the KPP metric, and uniform Rademacher risk bounds for regression and classification under fixed, honest, or cross-fit conditioning. All probabilistic guarantees are conditional on the representation and are stated under three explicit conditioning regimes; the robust-radius guarantee is deterministic in the KPP metric rather than in a norm on the raw input. Conjectured fast-rate refinements for both regression and classification are stated as open problems and are not claimed as theorems.


Subsampling for supervised learning in reproducing kernel Hilbert spaces

arXiv.org Machine Learning

In the era of big data, subsampling became a common practice in statistical learning. By selecting a subgroup of individuals based on which the learner is trained, subsampling aims at reducing the computational cost and time of the estimation step, and ideally leads to a decrease of its energy consumption and carbon footprint. This work focuses on a nonparametric setting, in which the hypotheses set lies in a reproducing kernel Hilbert space, and the estimator is a minimizer of an empirical risk reweighted ร  la Horvitz-Thompson. By studying the asymptotic properties of this estimator, we reveal an optimal subsampling scheme (regarding the trace of the covariance operator) and show that it can be used via plug-in. A numerical study on synthetic and real-world datasets shows the practicability and the benefit of the proposed approach.


Planning and Learning in Average Risk-aware MDPs

Neural Information Processing Systems

For continuing tasks, average cost Markov decision processes have welldocumented value and can be solved using efficient algorithms. However, it explicitly assumes that the agent is risk-neutral. In this work, we extend risk-neutral algorithms to accommodate the more general class of dynamic risk measures. Specifically, we propose a relative value iteration (RVI) algorithm for planning and design two model-free Q-learning algorithms, namely a generic algorithm based on the multi-level Monte Carlo (MLMC) method, and an off-policy algorithm dedicated to utility-based shortfall risk measures. Both the RVI and MLMC-based Qlearning algorithms are proven to converge to optimality. Numerical experiments validate our analysis, confirm empirically the convergence of the off-policy algorithm, and demonstrate that our approach enables the identification of policies that are finely tuned to the intricate risk-awareness of the agent that they serve.


Streaming Federated Learning with Markovian Data

Neural Information Processing Systems

Federated learning (FL) is now recognized as a key framework for communicationefficient collaborative learning. Most theoretical and empirical studies, however, rely on the assumption that clients have access to pre-collected data sets, with limited investigation into scenarios where clients continuously collect data. In many real-world applications, particularly when data is generated by physical or biological processes, client data streams are often modeled by non-stationary Markov processes.


Benign Overfitting in Single-Head Attention

Neural Information Processing Systems

The phenomenon of benign overfitting, where a trained neural network perfectly fits noisy training data but still achieves near-optimal test performance, has been extensively studied in recent years for linear models and fully-connected/convolutional networks. In this work, we study benign overfitting in a single-head softmax attention model, which is the fundamental building block of Transformers. We prove that under appropriate conditions, the model exhibits benign overfitting in a classification setting already after two steps of gradient descent. Moreover, we show conditions where a minimum-norm/maximum-margin interpolator exhibits benign overfitting. We study how the overfitting behavior depends on the signalto-noise ratio (SNR) of the data distribution, namely, the ratio between norms of signal and noise tokens, and prove that a sufficiently large SNR is both necessary and sufficient for benign overfitting.


Discretization-free Multicalibration through Loss Minimization over Tree Ensembles

Neural Information Processing Systems

In recent years, multicalibration has emerged as a desirable learning objective for ensuring that a predictor is calibrated across a rich collection of overlapping subpopulations. Existing approaches typically achieve multicalibration by discretizing the predictor's output space and iteratively adjusting its output values. However, this discretization approach departs from the standard empirical risk minimization (ERM) pipeline, introduces rounding error and an additional sensitive hyperparameter, and may distort the predictor's outputs in ways that hinder downstream decision-making. In this work, we propose a discretization-free multicalibration method that directly optimizes an empirical risk objective over an ensemble of depth-two decision trees. Our ERM approach can be implemented using off-the-shelf tree ensemble learning methods such as LightGBM. Our algorithm provably achieves multicalibration, provided that the data distribution satisfies a technical condition we term as loss saturation. Across multiple datasets, our empirical evaluation shows that this condition is always met in practice. Our discretization-free algorithm consistently matches or outperforms existing multicalibration approaches-- even when evaluated using a discretization-based multicalibration metric that shares its discretization granularity with the baselines. Code to replicate the results in this work is available at https://github.com/hjenryin/