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Masaaki Imaizumi

Publications and source records attributed to Masaaki Imaizumi.

At least 37 records · Page 2Linked to original sources

Infinite-Width Limit of a Single Attention Layer: Analysis via Tensor Programs

In modern theoretical analyses of neural networks, the infinite-width limit is often invoked to justify Gaussian approximations of neuron preactivations (e.g., via neural network Gaussian processes or Tensor Programs). However, these Gaussian-based asymptotic theories have so far been unable to capture the behavior of attention layers, except under special regimes such as infinitely many heads or tailored scaling schemes. In this paper, leveraging the Tensor Programs framework, we rigorously identify the infinite-width limit distribution of variables within a single attention layer under realistic architectural dimensionality and standard $1/\sqrt{n}$-scaling with $n$ dimensionality. We derive the exact form of this limit law without resorting to infinite-head approximations or tailored scalings, demonstrating that it departs fundamentally from Gaussianity. This limiting distribution exhibits non-Gaussianity from a hierarchical structure, being Gaussian conditional on the random similarity scores. Numerical experiments validate our theoretical predictions, confirming the effectiveness of our theory at finite width and accurate description of finite-head attentions. Beyond characterizing a standalone attention layer, our findings lay the groundwork for developing a unified theory of deep Transformer architectures in the infinite-width regime.

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Minimax Rates of Estimation for Optimal Transport Map between Infinite-Dimensional Spaces

We investigate the estimation of an optimal transport map between probability measures on an infinite-dimensional space and reveal its minimax optimal rate. Optimal transport theory defines distances within a space of probability measures, utilizing an optimal transport map as its key component. Estimating the optimal transport map from samples finds several applications, such as simulating dynamics between probability measures and functional data analysis. However, some transport maps on infinite-dimensional spaces require exponential-order data for estimation, which undermines their applicability. In this paper, we investigate the estimation of an optimal transport map between infinite-dimensional spaces, focusing on optimal transport maps characterized by the notion of $γ$-smoothness. Consequently, we show that the order of the minimax risk is polynomial rate in the sample size even in the infinite-dimensional setup. We also develop an estimator whose estimation error matches the minimax optimal rate. With these results, we obtain a class of reasonably estimable optimal transport maps on infinite-dimensional spaces and a method for their estimation. Our experiments validate the theory and practical utility of our approach with application to functional data analysis.

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Zero Generalization Error Theorem for Random Interpolators via Algebraic Geometry

We theoretically demonstrate that the generalization error of interpolators for machine learning models under teacher-student settings becomes 0 once the number of training samples exceeds a certain threshold. Understanding the high generalization ability of large-scale models such as deep neural networks (DNNs) remains one of the central open problems in machine learning theory. While recent theoretical studies have attributed this phenomenon to the implicit bias of stochastic gradient descent (SGD) toward well-generalizing solutions, empirical evidences indicate that it primarily stems from properties of the model itself. Specifically, even randomly sampled interpolators, which are parameters that achieve zero training error, have been observed to generalize effectively. In this study, under a teacher-student framework, we prove that the generalization error of randomly sampled interpolators becomes exactly zero once the number of training samples exceeds a threshold determined by the geometric structure of the interpolator set in parameter space. As a proof technique, we leverage tools from algebraic geometry to mathematically characterize this geometric structure.

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Fast Escape, Slow Convergence: Learning Dynamics of Phase Retrieval under Power-Law Data

Scaling laws describe how learning performance improves with data, compute, or training time, and have become a central theme in modern deep learning. We study this phenomenon in a canonical nonlinear model: phase retrieval with anisotropic Gaussian inputs whose covariance spectrum follows a power law. Unlike the isotropic case, where dynamics collapse to a two-dimensional system, anisotropy yields a qualitatively new regime in which an infinite hierarchy of coupled equations governs the evolution of the summary statistics. We develop a tractable reduction that reveals a three-phase trajectory: (i) fast escape from low alignment, (ii) slow convergence of the summary statistics, and (iii) spectral-tail learning in low-variance directions. From this decomposition, we derive explicit scaling laws for the mean-squared error, showing how spectral decay dictates convergence times and error curves. Experiments confirm the predicted phases and exponents. These results provide the first rigorous characterization of scaling laws in nonlinear regression with anisotropic data, highlighting how anisotropy reshapes learning dynamics.

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Optimal Dynamic Regret by Transformers for Non-Stationary Reinforcement Learning

Transformers have demonstrated exceptional performance across a wide range of domains. While their ability to perform reinforcement learning in-context has been established both theoretically and empirically, their behavior in non-stationary environments remains less understood. In this study, we address this gap by showing that transformers can achieve nearly optimal dynamic regret bounds in non-stationary settings. We prove that transformers are capable of approximating strategies used to handle non-stationary environments and can learn the approximator in the in-context learning setup. Our experiments further show that transformers can match or even outperform existing expert algorithms in such environments.

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Universality of estimators for high-dimensional linear models with block dependency

We study the universality property of estimators for high-dimensional linear models, which implies that the distribution of estimators is independent of whether the covariates follow a Gaussian distribution. Recent developments in high-dimensional statistics typically require covariates to strictly follow a Gaussian distribution to precisely characterize the properties of estimators. To relax this Gaussianity requirement, the existing literature has examined conditions under which estimators achieve universality. In particular, independence among the elements of the high-dimensional covariates has played a critical role. In this study, we focus on high-dimensional linear models with covariates exhibiting block dependence, where covariate elements can only be dependent within each block, and show that estimators for such models retain universality. Specifically, we prove that the distribution of estimators with Gaussian covariates can be approximated by the distribution of estimators with non-Gaussian covariates having the same moments under block dependence. To establish this result, we develop a generalized Lindeberg principle suitable for handling block dependencies and derive new error bounds for correlated covariate elements. We further demonstrate the universality result across several different estimators.

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SONA: Learning Conditional, Unconditional, and Mismatching-Aware Discriminator

Deep generative models have made significant advances in generating complex content, yet conditional generation remains a fundamental challenge. Existing conditional generative adversarial networks often struggle to balance the dual objectives of assessing authenticity and conditional alignment of input samples within their conditional discriminators. To address this, we propose a novel discriminator design that integrates three key capabilities: unconditional discrimination, matching-aware supervision to enhance alignment sensitivity, and adaptive weighting to dynamically balance all objectives. Specifically, we introduce Sum of Naturalness and Alignment (SONA), which employs separate projections for naturalness (authenticity) and alignment in the final layer with an inductive bias, supported by dedicated objective functions and an adaptive weighting mechanism. Extensive experiments on class-conditional generation tasks show that \ours achieves superior sample quality and conditional alignment compared to state-of-the-art methods. Furthermore, we demonstrate its effectiveness in text-to-image generation, confirming the versatility and robustness of our approach.

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Effect of Random Learning Rate: Theoretical Analysis of SGD Dynamics in Non-Convex Optimization via Stationary Distribution

We consider a variant of the stochastic gradient descent (SGD) with a random learning rate and reveal its convergence properties. SGD is a widely used stochastic optimization algorithm in machine learning, especially deep learning. Numerous studies reveal the convergence properties of SGD and its theoretically favorable variants. Among these, the analysis of convergence using a stationary distribution of updated parameters provides generalizable results. However, to obtain a stationary distribution, the update direction of the parameters must not degenerate, which limits the applicable variants of SGD. In this study, we consider a novel SGD variant, Poisson SGD, which has degenerated parameter update directions and instead utilizes a random learning rate. Consequently, we demonstrate that a distribution of a parameter updated by Poisson SGD converges to a stationary distribution under weak assumptions on a loss function. Based on this, we further show that Poisson SGD finds global minima in non-convex optimization problems and also evaluate the generalization error using this method. As a proof technique, we approximate the distribution by Poisson SGD with that of the bouncy particle sampler (BPS) and derive its stationary distribution, using the theoretical advance of the piece-wise deterministic Markov process (PDMP).

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On Gaussian Approximation for M-Estimator

This study develops a non-asymptotic Gaussian approximation theory for distributions of M-estimators, which are defined as maximizers of empirical criterion functions. In existing mathematical statistics literature, numerous studies have focused on approximating the distributions of the M-estimators for statistical inference. In contrast to the existing approaches, which mainly focus on limiting behaviors, this study employs a non-asymptotic approach, establishes abstract Gaussian approximation results for maximizers of empirical criteria, and proposes a Gaussian multiplier bootstrap approximation method. Our developments can be considered as extensions of the seminal works (Chernozhukov, Chetverikov and Kato (2013, 2014, 2015)) on the approximation theory for distributions of suprema of empirical processes toward their maximizers. Through this work, we shed new lights on the statistical theory of M-estimators. Our theory covers not only regular estimators, such as the least absolute deviations, but also some non-regular cases where it is difficult to derive or to approximate numerically the limiting distributions such as non-Donsker classes and cube root estimators.

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Dimension-free Bounds for Sum of Dependent Matrices and Operators with Heavy-Tailed Distribution

We prove deviation inequalities for sums of high-dimensional random matrices and operators with dependence and {\rc heavy tails}. Estimation of high-dimensional matrices is a concern for numerous modern applications. However, most results are stated for independent observations. Therefore, it is critical to derive results for dependent and heavy-tailed matrices. In this paper, we derive a dimension-free upper bound on the deviation of the sums. Thus, the bound does not depend explicitly on the dimension of the matrices but rather on their effective rank. Our result generalizes several existing studies on the deviation of sums of matrices. It relies on two techniques: (i) a variational approximation of the dual of moment generating functions, and (ii) robustification through the truncation of the eigenvalues of the matrices. We reveal that our results are applicable to several problems, such as covariance matrix estimation, hidden Markov models, and overparameterized linear regression. At the beginning, we have attached a corrigendum of the original paper. We correct Theorem 4 of the original paper by introducing a log-Sobolev inequality in place of the boundedness condition. We show that the examples discussed in the original paper can be recovered under new conditions. The original paper, uncorrected version -- which includes the aforementioned error -- is appended after this corrigendum for transparency and comparison.

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High-dimensional Contextual Bandit Problem without Sparsity

In this research, we investigate the high-dimensional linear contextual bandit problem where the number of features $p$ is greater than the budget $T$, or it may even be infinite. Differing from the majority of previous works in this field, we do not impose sparsity on the regression coefficients. Instead, we rely on recent findings on overparameterized models, which enables us to analyze the performance of the minimum-norm interpolating estimator when data distributions have small effective ranks. We propose an explore-then-commit (EtC) algorithm to address this problem and examine its performance. Through our analysis, we derive the optimal rate of the ETC algorithm in terms of $T$ and show that this rate can be achieved by balancing exploration and exploitation. Moreover, we introduce an adaptive explore-then-commit (AEtC) algorithm that adaptively finds the optimal balance. We assess the performance of the proposed algorithms through a series of simulations.

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Wasserstein $k$-Centers Clustering for Distributional Data

We develop a novel clustering method for distributional data, where each data point is regarded as a probability distribution on the real line. For distributional data, it has been challenging to develop a clustering method that utilizes modes of variation of the data because the space of probability distributions lacks a vector space structure, preventing the application of existing methods devised for functional data. Our clustering method for distributional data takes account of the differences in both means and modes of variation of clusters, in the spirit of the $k$-centers clustering approach proposed for functional data. Specifically, we consider the space of distributions equipped with the Wasserstein metric and define geodesic modes of variation of distributional data using the notion of geodesic principal component analysis. Then, we utilize geodesic modes of clusters to predict the cluster membership of each distribution. We theoretically show the validity of the proposed clustering criterion by studying the probability of correct membership. Through a simulation study and real data application, we demonstrate that the proposed distributional clustering method can improve the quality of the cluster compared to conventional clustering algorithms.

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High-dimensional Nonparametric Contextual Bandit Problem

We consider the kernelized contextual bandit problem with a large feature space. This problem involves $K$ arms, and the goal of the forecaster is to maximize the cumulative rewards through learning the relationship between the contexts and the rewards. It serves as a general framework for various decision-making scenarios, such as personalized online advertising and recommendation systems. Kernelized contextual bandits generalize the linear contextual bandit problem and offers a greater modeling flexibility. Existing methods, when applied to Gaussian kernels, yield a trivial bound of $O(T)$ when we consider $Ω(\log T)$ feature dimensions. To address this, we introduce stochastic assumptions on the context distribution and show that no-regret learning is achievable even when the number of dimensions grows up to the number of samples. Furthermore, we analyze lenient regret, which allows a per-round regret of at most $Δ> 0$. We derive the rate of lenient regret in terms of $Δ$.

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Distillation of Discrete Diffusion through Dimensional Correlations

Diffusion models have demonstrated exceptional performances in various fields of generative modeling, but suffer from slow sampling speed due to their iterative nature. While this issue is being addressed in continuous domains, discrete diffusion models face unique challenges, particularly in capturing dependencies between elements (e.g., pixel relationships in image, sequential dependencies in language) mainly due to the computational cost of processing high-dimensional joint distributions. In this paper, (i) we propose "mixture" models for discrete diffusion that are capable of treating dimensional correlations while remaining scalable, and (ii) we provide a set of loss functions for distilling the iterations of existing models. Two primary theoretical insights underpin our approach: First, conventional models with element-wise independence can well approximate the data distribution, but essentially require {\it many sampling steps}. Second, our loss functions enable the mixture models to distill such many-step conventional models into just a few steps by learning the dimensional correlations. Our experimental results show the effectiveness of the proposed method in distilling pretrained discrete diffusion models across image and language domains. The code used in the paper is available at https://github.com/sony/di4c .

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Precise gradient descent training dynamics for finite-width multi-layer neural networks

In this paper, we provide the first precise distributional characterization of gradient descent iterates for general multi-layer neural networks under the canonical single-index regression model, in the `finite-width proportional regime' where the sample size and feature dimension grow proportionally while the network width and depth remain bounded. Our non-asymptotic state evolution theory captures Gaussian fluctuations in first-layer weights and concentration in deeper-layer weights, and remains valid for non-Gaussian features. Our theory differs from existing neural tangent kernel (NTK), mean-field (MF) theories and tensor program (TP) in several key aspects. First, our theory operates in the finite-width regime whereas these existing theories are fundamentally infinite-width. Second, our theory allows weights to evolve from individual initializations beyond the lazy training regime, whereas NTK and MF are either frozen at or only weakly sensitive to initialization, and TP relies on special initialization schemes. Third, our theory characterizes both training and generalization errors for general multi-layer neural networks beyond the uniform convergence regime, whereas existing theories study generalization almost exclusively in two-layer settings. As a statistical application, we show that vanilla gradient descent can be augmented to yield consistent estimates of the generalization error at each iteration, which can be used to guide early stopping and hyperparameter tuning. As a further theoretical implication, we show that despite model misspecification, the model learned by gradient descent retains the structure of a single-index function with an effective signal determined by a linear combination of the true signal and the initialization.

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Bayesian Analysis for Over-parameterized Linear Model via Effective Spectra

In high-dimensional Bayesian statistics, various methods have been developed, including prior distributions that induce parameter sparsity to handle many parameters. Yet, these approaches often overlook the rich spectral structure of the covariate matrix, which can be crucial when true signals are not sparse. To address this gap, we introduce a data-adaptive Gaussian prior whose covariance is aligned with the leading eigenvectors of the sample covariance. This prior design targets the data's intrinsic complexity rather than its ambient dimension by concentrating the parameter search along principal data directions. We establish contraction rates of the corresponding posterior distribution, which reveal how the mass in the spectrum affects the prediction error bounds. Furthermore, we derive a truncated Gaussian approximation to the posterior (i.e., a Bernstein-von Mises-type result), which allows for uncertainty quantification with a reduced computational burden. Our findings demonstrate that Bayesian methods leveraging spectral information of the data are effective for estimation in non-sparse, high-dimensional settings.

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Learning a Single Index Model from Anisotropic Data with vanilla Stochastic Gradient Descent

We investigate the problem of learning a Single Index Model (SIM)- a popular model for studying the ability of neural networks to learn features - from anisotropic Gaussian inputs by training a neuron using vanilla Stochastic Gradient Descent (SGD). While the isotropic case has been extensively studied, the anisotropic case has received less attention and the impact of the covariance matrix on the learning dynamics remains unclear. For instance, Mousavi-Hosseini et al. (2023b) proposed a spherical SGD that requires a separate estimation of the data covariance matrix, thereby oversimplifying the influence of covariance. In this study, we analyze the learning dynamics of vanilla SGD under the SIM with anisotropic input data, demonstrating that vanilla SGD automatically adapts to the data's covariance structure. Leveraging these results, we derive upper and lower bounds on the sample complexity using a notion of effective dimension that is determined by the structure of the covariance matrix instead of the input data dimension.

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Benign Overfitting in Time Series Linear Models with Over-Parameterization

The success of large-scale models in recent years has increased the importance of statistical models with numerous parameters. Several studies have analyzed over-parameterized linear models with high-dimensional data, which may not be sparse; however, existing results rely on the assumption of sample independence. In this study, we analyze a linear regression model with dependent time-series data in an over-parameterized setting. We consider an estimator using interpolation and develop a theory for the excess risk of the estimator. Then, we derive non-asymptotic risk bounds for the estimator for cases with dependent data. This analysis reveals that the coherence of the temporal covariance plays a key role; the risk bound is influenced by the product of temporal covariance matrices at different time steps. Moreover, we show the convergence rate of the risk bound and demonstrate that it is also influenced by the coherence of the temporal covariance. Finally, we provide several examples of specific dependent processes applicable to our setting.

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