Changxiao Cai

Jingda Wu, Changxiao Cai

Score-based diffusion models have demonstrated remarkable empirical success in learning high-dimensional distributions, particularly those exhibiting low-dimensional and multi-modal structures. However, theoretical understanding of their statistical efficiency remains limited. Existing theories typically rely on strong regularity assumptions, such as uniformly bounded densities or globally smooth score functions, which fail to capture such intrinsic structures. In this work, we study the sample complexity of diffusion models for learning distributions supported on a union of low-dimensional subspaces. Assuming that the data distribution within each subspace is subgaussian, we show that diffusion models require at most $\widetilde{O}(\varepsilon^{-k \vee 2})$ samples to achieve $\varepsilon$ error in 1-Wasserstein distance, where $k$ is the intrinsic dimension. This near-optimal convergence rate depends only on the intrinsic dimension and significantly improves upon prior theoretical guarantees that suffer from the curse of dimensionality. Notably, our analysis applies to a broad collection of distributions without imposing smoothness, bounded-density, or log-concavity assumptions. Overall, our results show that diffusion models can statistically adapt to intrinsic low-dimensional structure while naturally accommodating multi-modal data, offering a rigorous theoretical justification for their success in complex high-dimensional learning tasks.

Changxiao Cai, T. Tony Cai, Hongzhe Li

Motivated by a range of applications, we study in this paper the problem of transfer learning for nonparametric contextual multi-armed bandits under the covariate shift model, where we have data collected on source bandits before the start of the target bandit learning. The minimax rate of convergence for the cumulative regret is established and a novel transfer learning algorithm that attains the minimax regret is proposed. The results quantify the contribution of the data from the source domains for learning in the target domain in the context of nonparametric contextual multi-armed bandits. In view of the general impossibility of adaptation to unknown smoothness, we develop a data-driven algorithm that achieves near-optimal statistical guarantees (up to a logarithmic factor) while automatically adapting to the unknown parameters over a large collection of parameter spaces under an additional self-similarity assumption. A simulation study is carried out to illustrate the benefits of utilizing the data from the auxiliary source domains for learning in the target domain.

Yunxiao Zhao, Changxiao Cai

Diffusion language models (DLMs) have recently emerged as a promising alternative to autoregressive (AR) approaches, enabling parallel token generation beyond a rigid left-to-right order. Despite growing empirical success, the theoretical understanding of how unmasking schedules -- which specify the order and size of unmasked tokens during sampling -- affect generation quality remains limited. In this work, we introduce a distribution-agnostic unmasking schedule for DLMs that adapts to the (unknown) dependence structure of the target data distribution, without requiring any prior knowledge or hyperparameter tuning. In contrast to prior deterministic procedures that fix unmasking sizes, our method randomizes the number of tokens revealed at each iteration. We show that, for two specific parameter choices, the sampling convergence guarantees -- measured by Kullback-Leibler (KL) divergence -- scale as $\widetilde O(\mathsf{TC}/K)$ and $\widetilde O(\mathsf{DTC}/K)$ respectively. Here, $K$ is the number of iterations, and $\mathsf{TC}$ and $\mathsf{DTC}$ are the total correlation and dual total correlation of the target distribution, capturing the intrinsic dependence structure underlying the data. Importantly, our guarantees hold in the practically relevant parallel-sampling regime $K<L$ where $L$ is the token sequence length. These results significantly improve upon prior convergence theories and yield substantial sampling acceleration for low-complexity distributions. Overall, our findings unveil the adaptivity of DLMs to intrinsic data structures and shed light on the benefit of randomized unmasking sizes in inference schedule design.

Yuchen Jiao, Na Li, Changxiao Cai et al.

Higher-order ODE solvers have become a standard tool for accelerating diffusion probabilistic model (DPM) sampling, motivating the widespread view that first-order methods are inherently slower and that increasing discretization order is the primary path to faster generation. This paper challenges this belief and revisits acceleration from a complementary angle: beyond solver order, the placement of DPM evaluations along the reverse-time dynamics can substantially affect sampling accuracy in the low-neural function evaluation (NFE) regime. We propose a novel training-free, first-order sampler whose leading discretization error has the opposite sign to that of DDIM. Algorithmically, the method approximates the forward-value evaluation via a cheap one-step lookahead predictor. We provide theoretical guarantees showing that the resulting sampler provably approximates the ideal forward-value trajectory while retaining first-order convergence. Empirically, across standard image generation benchmarks (CIFAR-10, ImageNet, FFHQ, and LSUN), the proposed sampler consistently improves sample quality under the same NFE budget and can be competitive with, and sometimes outperform, state-of-the-art higher-order samplers. Overall, the results suggest that the placement of DPM evaluations provides an additional and largely independent design angle for accelerating diffusion sampling.

Gen Li, Changxiao Cai

Score-based diffusion models, while achieving minimax optimality for sampling, are often hampered by slow sampling speeds due to the high computational burden of score function evaluations. Despite the recent remarkable empirical advances in speeding up the score-based samplers, theoretical understanding of acceleration techniques remains largely limited. To bridge this gap, we propose a novel training-free acceleration scheme for stochastic samplers. Under minimal assumptions -- namely, $L^2$-accurate score estimates and a finite second-moment condition on the target distribution -- our accelerated sampler provably achieves $\varepsilon$-accuracy in total variation within $\widetilde{O}(d^{5/4}/\sqrt{\varepsilon})$ iterations, thereby significantly improving upon the $\widetilde{O}(d/\varepsilon)$ iteration complexity of standard score-based samplers for $\varepsilon\leq 1/\sqrt{d}$. Notably, our convergence theory does not rely on restrictive assumptions on the target distribution or higher-order score estimation guarantees.

Gen Li, Changxiao Cai

Diffusion models have emerged as a powerful paradigm for modern generative modeling, demonstrating strong potential for large language models (LLMs). Unlike conventional autoregressive (AR) models that generate tokens sequentially, diffusion models enable parallel token sampling, leading to faster generation and eliminating left-to-right generation constraints. Despite their empirical success, the theoretical understanding of diffusion model approaches remains underdeveloped. In this work, we develop convergence guarantees for diffusion language models from an information-theoretic perspective. Our analysis demonstrates that the sampling error, measured by the Kullback-Leibler (KL) divergence, decays inversely with the number of iterations $T$ and scales linearly with the mutual information between tokens in the target text sequence. In particular, we establish matching upper and lower bounds, up to some constant factor, to demonstrate the tightness of our convergence analysis. These results offer novel theoretical insights into the practical effectiveness of diffusion language models.

Changxiao Cai, Gen Li

Score-based diffusion models have become a foundational paradigm for modern generative modeling, demonstrating exceptional capability in generating samples from complex high-dimensional distributions. Despite the dominant adoption of probability flow ODE-based samplers in practice due to their superior sampling efficiency and precision, rigorous statistical guarantees for these methods have remained elusive in the literature. This work develops the first end-to-end theoretical framework for deterministic ODE-based samplers that establishes near-minimax optimal guarantees under mild assumptions on target data distributions. Specifically, focusing on subgaussian distributions with $β$-Hölder smooth densities for $β\leq 2$, we propose a smooth regularized score estimator that simultaneously controls both the $L^2$ score error and the associated mean Jacobian error. Leveraging this estimator within a refined convergence analysis of the ODE-based sampling process, we demonstrate that the resulting sampler achieves the minimax rate in total variation distance, modulo logarithmic factors. Notably, our theory comprehensively accounts for all sources of error in the sampling process and does not require strong structural conditions such as density lower bounds or Lipschitz/smooth scores on target distributions, thereby covering a broad range of practical data distributions.

Gen Li, Changxiao Cai, Yuting Wei

Diffusion models are distinguished by their exceptional generative performance, particularly in producing high-quality samples through iterative denoising. While current theory suggests that the number of denoising steps required for accurate sample generation should scale linearly with data dimension, this does not reflect the practical efficiency of widely used algorithms like Denoising Diffusion Probabilistic Models (DDPMs). This paper investigates the effectiveness of diffusion models in sampling from complex high-dimensional distributions that can be well-approximated by Gaussian Mixture Models (GMMs). For these distributions, our main result shows that DDPM takes at most $\widetilde{O}(1/\varepsilon)$ iterations to attain an $\varepsilon$-accurate distribution in total variation (TV) distance, independent of both the ambient dimension $d$ and the number of components $K$, up to logarithmic factors. Furthermore, this result remains robust to score estimation errors. These findings highlight the remarkable effectiveness of diffusion models in high-dimensional settings given the universal approximation capability of GMMs, and provide theoretical insights into their practical success.

Changxiao Cai, Gen Li

Diffusion language models (DLMs) have emerged as a promising alternative to autoregressive (AR) models for language modeling, allowing flexible generation order and parallel generation of multiple tokens. However, this flexibility introduces a challenge absent in AR models: the \emph{decoding strategy} -- which determines the order and number of tokens generated at each iteration -- critically affects sampling efficiency. Among decoding strategies explored in practice, confidence-based methods, which adaptively select which and how many tokens to unmask based on prediction confidence, have shown strong empirical performance. Despite this success, our theoretical understanding of confidence-based decoding remains limited. In this work, we develop the first theoretical analysis framework for confidence-based decoding in DLMs. We focus on an entropy sum-based strategy that continues unmasking tokens within each iteration until the cumulative entropy exceeds a threshold, and show that it achieves $\varepsilon$-accurate sampling in KL divergence with an expected number of iterations $\widetilde O(H(X_0)/\varepsilon)$, where $H(X_0)$ denotes the entropy of the target data distribution. Notably, this strategy yields substantial sampling acceleration when the data distribution has low entropy relative to the sequence length, while automatically adapting to the intrinsic complexity of data without requiring prior knowledge or hyperparameter tuning. Overall, our results provide a theoretical foundation for confidence-based decoding and may inform the design of more efficient decoding strategies for DLMs.

Gen Li, Changxiao Cai, H. Vincent Poor et al.

Eigenvector perturbation analysis plays a vital role in various data science applications. A large body of prior works, however, focused on establishing $\ell_{2}$ eigenvector perturbation bounds, which are often highly inadequate in addressing tasks that rely on fine-grained behavior of an eigenvector. This paper makes progress on this by studying the perturbation of linear functions of an unknown eigenvector. Focusing on two fundamental problems -- matrix denoising and principal component analysis -- in the presence of Gaussian noise, we develop a suite of statistical theory that characterizes the perturbation of arbitrary linear functions of an unknown eigenvector. In order to mitigate a non-negligible bias issue inherent to the natural ``plug-in'' estimator, we develop de-biased estimators that (1) achieve minimax lower bounds for a family of scenarios (modulo some logarithmic factor), and (2) can be computed in a data-driven manner without sample splitting. Noteworthily, the proposed estimators are nearly minimax optimal even when the associated eigen-gap is {\em substantially smaller} than what is required in prior statistical theory.

Gen Li, Changxiao Cai, Yuxin Chen et al.

Q-learning, which seeks to learn the optimal Q-function of a Markov decision process (MDP) in a model-free fashion, lies at the heart of reinforcement learning. When it comes to the synchronous setting (such that independent samples for all state-action pairs are drawn from a generative model in each iteration), substantial progress has been made towards understanding the sample efficiency of Q-learning. Consider a $γ$-discounted infinite-horizon MDP with state space $\mathcal{S}$ and action space $\mathcal{A}$: to yield an entrywise $\varepsilon$-approximation of the optimal Q-function, state-of-the-art theory for Q-learning requires a sample size exceeding the order of $\frac{|\mathcal{S}||\mathcal{A}|}{(1-γ)^5\varepsilon^{2}}$, which fails to match existing minimax lower bounds. This gives rise to natural questions: what is the sharp sample complexity of Q-learning? Is Q-learning provably sub-optimal? This paper addresses these questions for the synchronous setting: (1) when $|\mathcal{A}|=1$ (so that Q-learning reduces to TD learning), we prove that the sample complexity of TD learning is minimax optimal and scales as $\frac{|\mathcal{S}|}{(1-γ)^3\varepsilon^2}$ (up to log factor); (2) when $|\mathcal{A}|\geq 2$, we settle the sample complexity of Q-learning to be on the order of $\frac{|\mathcal{S}||\mathcal{A}|}{(1-γ)^4\varepsilon^2}$ (up to log factor). Our theory unveils the strict sub-optimality of Q-learning when $|\mathcal{A}|\geq 2$, and rigorizes the negative impact of over-estimation in Q-learning. Finally, we extend our analysis to accommodate asynchronous Q-learning (i.e., the case with Markovian samples), sharpening the horizon dependency of its sample complexity to be $\frac{1}{(1-γ)^4}$.

Changxiao Cai, H. Vincent Poor, Yuxin Chen

We study the distribution and uncertainty of nonconvex optimization for noisy tensor completion -- the problem of estimating a low-rank tensor given incomplete and corrupted observations of its entries. Focusing on a two-stage estimation algorithm proposed by Cai et al. (2019), we characterize the distribution of this nonconvex estimator down to fine scales. This distributional theory in turn allows one to construct valid and short confidence intervals for both the unseen tensor entries and the unknown tensor factors. The proposed inferential procedure enjoys several important features: (1) it is fully adaptive to noise heteroscedasticity, and (2) it is data-driven and automatically adapts to unknown noise distributions. Furthermore, our findings unveil the statistical optimality of nonconvex tensor completion: it attains un-improvable $\ell_{2}$ accuracy -- including both the rates and the pre-constants -- when estimating both the unknown tensor and the underlying tensor factors.

Changxiao Cai, Gen Li, H. Vincent Poor et al.

We study a noisy tensor completion problem of broad practical interest, namely, the reconstruction of a low-rank tensor from highly incomplete and randomly corrupted observations of its entries. While a variety of prior work has been dedicated to this problem, prior algorithms either are computationally too expensive for large-scale applications, or come with sub-optimal statistical guarantees. Focusing on "incoherent" and well-conditioned tensors of a constant CP rank, we propose a two-stage nonconvex algorithm -- (vanilla) gradient descent following a rough initialization -- that achieves the best of both worlds. Specifically, the proposed nonconvex algorithm faithfully completes the tensor and retrieves all individual tensor factors within nearly linear time, while at the same time enjoying near-optimal statistical guarantees (i.e. minimal sample complexity and optimal estimation accuracy). The estimation errors are evenly spread out across all entries, thus achieving optimal $\ell_{\infty}$ statistical accuracy. We have also discussed how to extend our approach to accommodate asymmetric tensors. The insight conveyed through our analysis of nonconvex optimization might have implications for other tensor estimation problems.

Changxiao Cai, Gen Li, Yuejie Chi et al.

This paper is concerned with estimating the column space of an unknown low-rank matrix $\boldsymbol{A}^{\star}\in\mathbb{R}^{d_{1}\times d_{2}}$, given noisy and partial observations of its entries. There is no shortage of scenarios where the observations -- while being too noisy to support faithful recovery of the entire matrix -- still convey sufficient information to enable reliable estimation of the column space of interest. This is particularly evident and crucial for the highly unbalanced case where the column dimension $d_{2}$ far exceeds the row dimension $d_{1}$, which is the focal point of the current paper. We investigate an efficient spectral method, which operates upon the sample Gram matrix with diagonal deletion. While this algorithmic idea has been studied before, we establish new statistical guarantees for this method in terms of both $\ell_{2}$ and $\ell_{2,\infty}$ estimation accuracy, which improve upon prior results if $d_{2}$ is substantially larger than $d_{1}$. To illustrate the effectiveness of our findings, we derive matching minimax lower bounds with respect to the noise levels, and develop consequences of our general theory for three applications of practical importance: (1) tensor completion from noisy data, (2) covariance estimation / principal component analysis with missing data, and (3) community recovery in bipartite graphs. Our theory leads to improved performance guarantees for all three cases.