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Ghost in the Kernel: In-Context Learning with Efficient Transformers via Domain Generalization

arXiv.org Machine Learning

Transformer-based large models have demonstrated remarkable generalization abilities across different tasks by leveraging a context-aware attention module for in-context learning. With richer context, transformers adapt more effectively to the current use case without any parameter updates. However, the quadratic computational and memory complexity with respect to context length significantly slows data processing in softmax transformers. Linear transformers were proposed to address this issue by reducing the complexity to linear dependence on context length, but the design and understanding of the feature mapping in linear attention, from a theoretical viewpoint, remain unclear. In this paper, we investigate the approximation and generalization abilities of linear transformers under a two-staged sampling process from domain generalization. We show that linear transformers perform in-context learning as learning a mapping from context distributions to response functions. A dimension-independent convergence rate is obtained for our generalization analysis, which also exhibits the tradeoff between the regularities of data distributions and latent features. Guided by our theoretical framework, we propose a new perspective on activation and loss design for linearizing pretrained softmax large language models.


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.


Asymptotic Signal Subspace Recovery in Softmax Attention Models

arXiv.org Machine Learning

Attention mechanisms have demonstrated remarkable empirical success in identifying relevant information from large collections of tokens, yet the theoretical principles underlying this behavior remain poorly understood. We study a stylized softmax-attention model in which a query vector is learned by stochastic gradient ascent from a collection of informative and nuisance tokens. Exploiting the symmetry of the model, we derive a population objective and characterize the limiting ordinary differential equation governing the learning dynamics. Using tools from stochastic approximation and dynamical systems theory, we establish a rigorous connection between the stochastic learning algorithm and its deterministic limit. Our main result shows that, under suitable high-dimensional scaling assumptions and standard step-size conditions, the learned query converges almost surely to the one-dimensional signal subspace spanned by the latent informative direction. Equivalently, the query asymptotically recovers the latent signal up to the intrinsic sign ambiguity. These results provide a rigorous theoretical foundation for understanding attention mechanisms as signal extraction procedures in high-dimensional noisy environments and offer a dynamical-systems perspective on how attention discovers relevant information in the presence of substantial noise.


Functional data analysis for multivariate distributions through Wasserstein slicing

Neural Information Processing Systems

The modeling of samples of distributions is a major challenge since distributions do not form a vector space. While various approaches exist for univariate distributions, including transformations to a Hilbert space, far less is known about the multivariate case. We utilize a transformation approach to map multivariate distributions to a Hilbert space via a Wasserstein slicing method that is invertible. This approach combines functional data analysis tools, such as functional principal component analysis and modes of variation, with the facility to map back to interpretable distributions. We also provide convergence guarantees for the Hilbert space representations under a broad class of such transforms. The method is illustrated using joint systolic and diastolic blood pressure data.


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 à 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.


Exploring the Noise Robustness of Online Conformal Prediction

Neural Information Processing Systems

Conformal prediction is an emerging technique for uncertainty quantification that constructs prediction sets guaranteed to contain the true label with a predefined probability. Recent work develops online conformal prediction methods that adaptively construct prediction sets to accommodate distribution shifts. However, existing algorithms typically assume perfect label accuracy which rarely holds in practice. In this work, we investigate the robustness of online conformal prediction under uniform label noise with a known noise rate. We show that label noise causes a persistent gap between the actual mis-coverage rate and the desired rate α, leading to either overestimated or underestimated coverage guarantees. To address this issue, we propose a novel loss function robust pinball loss, which provides an unbiased estimate of clean pinball loss without requiring ground-truth labels. Theoretically, we demonstrate that robust pinball loss enables online conformal prediction to eliminate the coverage gap under uniform label noise, achieving a convergence rate of O(T 1/2) for both empirical and expected coverage errors (i.e., absolute deviation of the empirical and expected mis-coverage rate from the target level α). This loss offers a general solution to the uniform label noise, and is complementary to existing online conformal prediction methods. Extensive experiments demonstrate that robust pinball loss enhances the noise robustness of various online conformal prediction methods by achieving a precise coverage guarantee and improved efficiency.


Range Penalization: Theoretical Insights with Applications in Federated Learning

arXiv.org Machine Learning

This paper introduces range regularization for federated learning with linear systematic components to enhance statistical accuracy and induce cross-client regularity conducive to quantization, coding, and resource efficiency. Our approach identifies features with shared weights across different clients and adaptively clusters the weights of personalized features at extreme values, a process we refer to as polar clustering. Theoretical analysis of the associated estimators poses significant challenges due to the seminorm nature and non-decomposability of the regularizer. We develop new proof techniques for the nonasymptotic analysis of statistical accuracy and faithful pattern recovery. Moreover, a fast optimization algorithm that leverages varying degrees of local strong convexity is proposed to reduce iteration complexity. Experiments support the efficacy and efficiency of the proposed approach.


Improved Guarantees for Heterogeneous Treatment-Effect Estimation via Matrix Completion

arXiv.org Machine Learning

A central goal of modern causal inference is estimating heterogeneous treatment effects to answer questions like "how does an intervention affect each unit," rather than only on average. We study this problem with panel-data where we observe $n$ units across $m$ times under unknown, non-uniform treatment assignments. The data in this setting is naturally represented as a matrix of all unit--time treatment effects. Estimating heterogeneous treatment effects can then be expressed as obtaining a good estimation of each row's average in this matrix. This allows us to formulate the problem as matrix completion, which can be solved under natural low-rankness assumptions. However, existing matrix-completion guarantees are not powerful enough to get meaningful bounds for the per-row guarantee required for estimating the heterogeneous treatment effect; roughly speaking, they are only useful for estimating average treatment effect bounds, as also illustrated in a recent line of work. We give a simple, computationally efficient estimator that, without knowledge of the propensities and under standard low-rankness and regularity assumptions, achieves a row-wise $\ell_2$ error of $\tilde{O}(\sqrt{\frac{1}{n} + \frac{n}{m^2}})$. Technically, our analysis establishes the first sharp row-wise $\ell_2$-perturbation bound for low-rank approximation, complementing existing spectral-, Frobenius-, and entrywise perturbation theory.


Debiasing Random Oblique Projections for Subsampled OLS and Fast CUR in High Dimensions

arXiv.org Machine Learning

Random sampling is a fundamental tool in modern machine learning and numerical linear algebra for reducing the computational cost of large-scale matrix problems. Existing analyses, however, rely primarily on subspace embedding guarantees, which do not precisely characterize the statistical bias of nonlinear random oblique projections induced by sampling, which arises ubiquitously in subsampled least squares and fast low-rank approximation methods. Because (pseudo)inversion is nonlinear, these random oblique projections can be systematically biased even when the underlying sketch is unbiased, thereby introducing hidden bias into downstream least squares and low-rank approximation solutions. In this work, we develop a unified non-asymptotic theory for random oblique projections in high dimensions. We show that standard random sampling schemes generally induce a systematic statistical bias overlooked by classical subspace embedding-style analyses, and we propose a principled debiasing framework to correct it. We illustrate the power of the theory through two canonical applications. For subsampled least squares, we obtain sharp bias--variance characterizations, reveal previously unrecognized statistical suboptimality in widely used sampling schemes, and identify when debiasing yields provable improvements. For fast CUR decomposition, we develop a debiased approach with improved approximation accuracy. Numerical experiments further validate our theoretical findings.


Empirical Bayes Rebiasing

arXiv.org Machine Learning

We study methods for simultaneous analysis of many noisy and biased estimates, each paired with an even noisier estimate of its own bias. The analyst's goal is to construct short calibrated intervals for each parameter. The standard debiasing approach, which subtracts the bias estimate from each biased estimate, inflates variance and yields long intervals. In this paper, we propose an empirical Bayes rebiasing strategy that starts from the fully debiased estimates and learns from data how much bias to reintroduce by estimating the unknown bias distribution. We provide convergence rates for the coverage of our intervals when the bias distribution is estimated using nonparametric maximum likelihood. Furthermore, we demonstrate substantial precision gains in prediction-powered inference, including pairwise LLM win-rate evaluations, as well as for inference of direct genetic effects in family-based GWAS.