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 Statistical Learning


SHAP values through General Fourier Representations: Theory and Applications

arXiv.org Machine Learning

This article establishes a rigorous spectral framework for the mathematical analysis of SHAP values. We show that any predictive model defined on a discrete or multi-valued input space admits a generalized Fourier expansion with respect to an orthonormalisation tensor-product basis constructed under a product probability measure. Within this setting, each SHAP attribution can be represented as a linear functional of the model's Fourier coefficients. Two complementary regimes are studied. In the deterministic regime, we derive quantitative stability estimates for SHAP values under Fourier truncation, showing that the attribution map is Lipschitz continuous with respect to the distance between predictors. In the probabilistic regime, we consider neural networks in their infinite-width limit and prove convergence of SHAP values toward those induced by the corresponding Gaussian process prior, with explicit error bounds in expectation and with high probability based on concentration inequalities. We also provide a numerical experiment on a clinical unbalanced dataset to validate the theoretical findings.


Implicit Bias of Per-sample Adam on Separable Data: Departure from the Full-batch Regime

arXiv.org Machine Learning

Adam [Kingma and Ba, 2015] is the de facto optimizer in deep learning, yet its theoretical understanding remains limited. Prior analyses show that Adam favors solutions aligned with $\ell_\infty$-geometry, but these results are restricted to the full-batch regime. In this work, we study the implicit bias of incremental Adam (using one sample per step) for logistic regression on linearly separable data, and we show that its bias can deviate from the full-batch behavior. To illustrate this, we construct a class of structured datasets where incremental Adam provably converges to the $\ell_2$-max-margin classifier, in contrast to the $\ell_\infty$-max-margin bias of full-batch Adam. For general datasets, we develop a proxy algorithm that captures the limiting behavior of incremental Adam as $β_2 \to 1$ and we characterize its convergence direction via a data-dependent dual fixed-point formulation. Finally, we prove that, unlike Adam, Signum [Bernstein et al., 2018] converges to the $\ell_\infty$-max-margin classifier for any batch size by taking $β$ close enough to 1. Overall, our results highlight that the implicit bias of Adam crucially depends on both the batching scheme and the dataset, while Signum remains invariant.


MMbeddings: Parameter-Efficient, Low-Overfitting Probabilistic Embeddings Inspired by Nonlinear Mixed Models

arXiv.org Machine Learning

We present MMbeddings, a probabilistic embedding approach that reinterprets categorical embeddings through the lens of nonlinear mixed models, effectively bridging classical statistical theory with modern deep learning. By treating embeddings as latent random effects within a variational autoencoder framework, our method substantially decreases the number of parameters -- from the conventional embedding approach of cardinality $\times$ embedding dimension, which quickly becomes infeasible with large cardinalities, to a significantly smaller, cardinality-independent number determined primarily by the encoder architecture. This reduction dramatically mitigates overfitting and computational burden in high-cardinality settings. Extensive experiments on simulated and real datasets, encompassing collaborative filtering and tabular regression tasks using varied architectures, demonstrate that MMbeddings consistently outperforms traditional embeddings, underscoring its potential across diverse machine learning applications.


Beyond PCA: Manifold Dimension Estimation via Local Graph Structure

arXiv.org Machine Learning

Local principal component analysis (Local PCA) has proven to be an effective tool for estimating the intrinsic dimension of a manifold. More recently, curvature-adjusted PCA (CA-PCA) has improved upon this approach by explicitly accounting for the curvature of the underlying manifold, rather than assuming local flatness. Building on these insights, we propose a general framework for manifold dimension estimation that captures the manifold's local graph structure by integrating PCA with regression-based techniques. Within this framework, we introduce two representative estimators: quadratic embedding (QE) and total least squares (TLS). Experiments on both synthetic and real-world datasets demonstrate that these methods perform competitively with, and often outperform, state-of-the-art alternatives.


Soft Task-Aware Routing of Experts for Equivariant Representation Learning

arXiv.org Machine Learning

Equivariant representation learning aims to capture variations induced by input transformations in the representation space, whereas invariant representation learning encodes semantic information by disregarding such transformations. Recent studies have shown that jointly learning both types of representations is often beneficial for downstream tasks, typically by employing separate projection heads. However, this design overlooks information shared between invariant and equivariant learning, which leads to redundant feature learning and inefficient use of model capacity. To address this, we introduce Soft Task-Aware Routing (STAR), a routing strategy for projection heads that models them as experts. STAR induces the experts to specialize in capturing either shared or task-specific information, thereby reducing redundant feature learning. We validate this effect by observing lower canonical correlations between invariant and equivariant embeddings. Experimental results show consistent improvements across diverse transfer learning tasks. The code is available at https://github.com/YonseiML/star.


Overspecified Mixture Discriminant Analysis: Exponential Convergence, Statistical Guarantees, and Remote Sensing Applications

arXiv.org Machine Learning

This study explores the classification error of Mixture Discriminant Analysis (MDA) in scenarios where the number of mixture components exceeds those present in the actual data distribution, a condition known as overspecification. We use a two-component Gaussian mixture model within each class to fit data generated from a single Gaussian, analyzing both the algorithmic convergence of the Expectation-Maximization (EM) algorithm and the statistical classification error. We demonstrate that, with suitable initialization, the EM algorithm converges exponentially fast to the Bayes risk at the population level. Further, we extend our results to finite samples, showing that the classification error converges to Bayes risk with a rate $n^{-1/2}$ under mild conditions on the initial parameter estimates and sample size. This work provides a rigorous theoretical framework for understanding the performance of overspecified MDA, which is often used empirically in complex data settings, such as image and text classification. To validate our theory, we conduct experiments on remote sensing datasets.


SLIM: Stochastic Learning and Inference in Overidentified Models

arXiv.org Machine Learning

We propose SLIM (Stochastic Learning and Inference in overidentified Models), a scalable stochastic approximation framework for nonlinear GMM. SLIM forms iterative updates from independent mini-batches of moments and their derivatives, producing unbiased directions that ensure almost-sure convergence. It requires neither a consistent initial estimator nor global convexity and accommodates both fixed-sample and random-sampling asymptotics. We further develop an optional second-order refinement achieving full-sample GMM efficiency and inference procedures based on random scaling and plug-in methods, including plug-in, debiased plug-in, and online versions of the Sargan--Hansen $J$-test tailored to stochastic learning. In Monte Carlo experiments based on a nonlinear demand system with 576 moment conditions, 380 parameters, and $n = 10^5$, SLIM solves the model in under 1.4 hours, whereas full-sample GMM in Stata on a powerful laptop converges only after 18 hours. The debiased plug-in $J$-test delivers satisfactory finite-sample inference, and SLIM scales smoothly to $n = 10^6$.


Decreasing Entropic Regularization Averaged Gradient for Semi-Discrete Optimal Transport

arXiv.org Machine Learning

Adding entropic regularization to Optimal Transport (OT) problems has become a standard approach for designing efficient and scalable solvers. However, regularization introduces a bias from the true solution. To mitigate this bias while still benefiting from the acceleration provided by regularization, a natural solver would adaptively decrease the regularization as it approaches the solution. Although some algorithms heuristically implement this idea, their theoretical guarantees and the extent of their acceleration compared to using a fixed regularization remain largely open. In the setting of semi-discrete OT, where the source measure is continuous and the target is discrete, we prove that decreasing the regularization can indeed accelerate convergence. To this end, we introduce DRAG: Decreasing (entropic) Regularization Averaged Gradient, a stochastic gradient descent algorithm where the regularization decreases with the number of optimization steps. We provide a theoretical analysis showing that DRAG benefits from decreasing regularization compared to a fixed scheme, achieving an unbiased $\mathcal{O}(1/t)$ sample and iteration complexity for both the OT cost and the potential estimation, and a $\mathcal{O}(1/\sqrt{t})$ rate for the OT map. Our theoretical findings are supported by numerical experiments that validate the effectiveness of DRAG and highlight its practical advantages.


Mixture-of-Transformers Learn Faster: A Theoretical Study on Classification Problems

arXiv.org Artificial Intelligence

Mixture-of-Experts (MoE) models improve transformer efficiency but lack a unified theoretical explanation, especially when both feed-forward and attention layers are allowed to specialize. To this end, we study the Mixture-of-Transformers (MoT), a tractable theoretical framework in which each transformer block acts as an expert governed by a continuously trained gating network. This design allows us to isolate and study the core learning dynamics of expert specialization and attention alignment. In particular, we develop a three-stage training algorithm with continuous training of the gating network, and show that each transformer expert specializes in a distinct class of tasks and that the gating network accurately routes data samples to the correct expert. Our analysis shows how expert specialization reduces gradient conflicts and makes each subtask strongly convex. We prove that the training drives the expected prediction loss to near zero in $O(\log(ε^{-1}))$ iteration steps, significantly improving over the $O(ε^{-1})$ rate for a single transformer. We further validate our theoretical findings through extensive real-data experiments, demonstrating the practical effectiveness of MoT. Together, these results offer the first unified theoretical account of transformer-level specialization and learning dynamics, providing practical guidance for designing efficient large-scale models.


Fints: Efficient Inference-Time Personalization for LLMs with Fine-Grained Instance-Tailored Steering

arXiv.org Artificial Intelligence

The rapid evolution of large language models (LLMs) has intensified the demand for effective personalization techniques that can adapt model behavior to individual user preferences. Despite the non-parametric methods utilizing the in-context learning ability of LLMs, recent parametric adaptation methods, including personalized parameter-efficient fine-tuning and reward modeling emerge. However, these methods face limitations in handling dynamic user patterns and high data sparsity scenarios, due to low adaptability and data efficiency. To address these challenges, we propose a fine-grained and instance-tailored steering framework that dynamically generates sample-level interference vectors from user data and injects them into the model's forward pass for personalized adaptation. Our approach introduces two key technical innovations: a fine-grained steering component that captures nuanced signals by hooking activations from attention and MLP layers, and an input-aware aggregation module that synthesizes these signals into contextually relevant enhancements. The method demonstrates high flexibility and data efficiency, excelling in fast-changing distribution and high data sparsity scenarios. In addition, the proposed method is orthogonal to existing methods and operates as a plug-in component compatible with different personalization techniques. Extensive experiments across diverse scenarios--including short-to-long text generation, and web function calling--validate the effectiveness and compatibility of our approach. Results show that our method significantly enhances personalization performance in fast-shifting environments while maintaining robustness across varying interaction modes and context lengths. Implementation is available at https://github.com/KounianhuaDu/Fints.