An Overview of Diffusion Models: Applications, Guided Generation, Statistical Rates and Optimization

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible high-dimensional data modeling, and act as a sampler for generating new samples under active guidance towards task-desired properties. Despite the significant empirical success, theory of diffusion models is very limited, potentially slowing down principled methodological innovations for further harnessing and improving diffusion models. In this paper, we review emerging applications of diffusion models, understanding their sample generation under various controls. Next, we overview the existing theories of diffusion models, covering their statistical properties and sampling capabilities. We adopt a progressive routine, beginning with unconditional diffusion models and connecting to conditional counterparts. Further, we review a new avenue in high-dimensional structured optimization through conditional diffusion models, where searching for solutions is reformulated as a conditional sampling problem and solved by diffusion models. Lastly, we discuss future directions about diffusion models. The purpose of this paper is to provide a well-rounded theoretical exposure for stimulating forward-looking theories and methods of diffusion models.

A general theory for robust clustering via trimmed mean

Clustering is a fundamental tool in statistical machine learning in the presence of heterogeneous data. Many recent results focus primarily on optimal mislabeling guarantees, when data are distributed around centroids with sub-Gaussian errors. Yet, the restrictive sub-Gaussian model is often invalid in practice, since various real-world applications exhibit heavy tail distributions around the centroids or suffer from possible adversarial attacks that call for robust clustering with a robust data-driven initialization. In this paper, we introduce a hybrid clustering technique with a novel multivariate trimmed mean type centroid estimate to produce mislabeling guarantees under a weak initialization condition for general error distributions around the centroids. A matching lower bound is derived, up to factors depending on the number of clusters. In addition, our approach also produces the optimal mislabeling even in the presence of adversarial outliers. Our results reduce to the sub-Gaussian case when errors follow sub-Gaussian distributions. To solve the problem thoroughly, we also present novel data-driven robust initialization techniques and show that, with probabilities approaching one, these initial centroid estimates are sufficiently good for the subsequent clustering algorithm to achieve the optimal mislabeling rates. Furthermore, we demonstrate that the Lloyd algorithm is suboptimal for more than two clusters even when errors are Gaussian, and for two clusters when errors distributions have heavy tails. Both simulated data and real data examples lend further support to both of our robust initialization procedure and clustering algorithm.

Structured Matrix Learning under Arbitrary Entrywise Dependence and Estimation of Markov Transition Kernel

The problem of structured matrix estimation has been studied mostly under strong noise dependence assumptions. This paper considers a general framework of noisy low-rank-plus-sparse matrix recovery, where the noise matrix may come from any joint distribution with arbitrary dependence across entries. We propose an incoherent-constrained least-square estimator and prove its tightness both in the sense of deterministic lower bound and matching minimax risks under various noise distributions. To attain this, we establish a novel result asserting that the difference between two arbitrary low-rank incoherent matrices must spread energy out across its entries, in other words cannot be too sparse, which sheds light on the structure of incoherent low-rank matrices and may be of independent interest. We then showcase the applications of our framework to several important statistical machine learning problems. In the problem of estimating a structured Markov transition kernel, the proposed method achieves the minimax optimality and the result can be extended to estimating the conditional mean operator, a crucial component in reinforcement learning. The applications to multitask regression and structured covariance estimation are also presented. We propose an alternating minimization algorithm to approximately solve the potentially hard optimization problem. Numerical results corroborate the effectiveness of our method which typically converges in a few steps.

Maximum Likelihood Estimation is All You Need for Well-Specified Covariate Shift

A key challenge of modern machine learning systems is to achieve Out-of-Distribution (OOD) generalization -- generalizing to target data whose distribution differs from that of source data. Despite its significant importance, the fundamental question of ``what are the most effective algorithms for OOD generalization'' remains open even under the standard setting of covariate shift. This paper addresses this fundamental question by proving that, surprisingly, classical Maximum Likelihood Estimation (MLE) purely using source data (without any modification) achieves the minimax optimality for covariate shift under the well-specified setting. That is, no algorithm performs better than MLE in this setting (up to a constant factor), justifying MLE is all you need. Our result holds for a very rich class of parametric models, and does not require any boundedness condition on the density ratio. We illustrate the wide applicability of our framework by instantiating it to three concrete examples -- linear regression, logistic regression, and phase retrieval. This paper further complement the study by proving that, under the misspecified setting, MLE is no longer the optimal choice, whereas Maximum Weighted Likelihood Estimator (MWLE) emerges as minimax optimal in certain scenarios.

Provably Efficient High-Dimensional Bandit Learning with Batched Feedbacks

We study high-dimensional multi-armed contextual bandits with batched feedback where the $T$ steps of online interactions are divided into $L$ batches. In specific, each batch collects data according to a policy that depends on previous batches and the rewards are revealed only at the end of the batch. Such a feedback structure is popular in applications such as personalized medicine and online advertisement, where the online data often do not arrive in a fully serial manner. We consider high-dimensional and linear settings where the reward function of the bandit model admits either a sparse or low-rank structure and ask how small a number of batches are needed for a comparable performance with fully dynamic data in which $L = T$. For these settings, we design a provably sample-efficient algorithm which achieves a $ \mathcal{\tilde O}(s_0^2 \log^2 T)$ regret in the sparse case and $ \mathcal{\tilde O} ( r ^2 \log^2 T)$ regret in the low-rank case, using only $L = \mathcal{O}( \log T)$ batches. Here $s_0$ and $r$ are the sparsity and rank of the reward parameter in sparse and low-rank cases, respectively, and $ \mathcal{\tilde O}(\cdot)$ omits logarithmic factors involving the feature dimensions. In other words, our algorithm achieves regret bounds comparable to those in fully sequential setting with only $\mathcal{O}( \log T)$ batches. Our algorithm features a novel batch allocation method that adjusts the batch sizes according to the estimation accuracy within each batch and cumulative regret. Furthermore, we also conduct experiments with synthetic and real-world data to validate our theory.

Robust Transfer Learning with Unreliable Source Data

This paper addresses challenges in robust transfer learning stemming from ambiguity in Bayes classifiers and weak transferable signals between the target and source distribution. We introduce a novel quantity called the ''ambiguity level'' that measures the discrepancy between the target and source regression functions, propose a simple transfer learning procedure, and establish a general theorem that shows how this new quantity is related to the transferability of learning in terms of risk improvements. Our proposed ''Transfer Around Boundary'' (TAB) model, with a threshold balancing the performance of target and source data, is shown to be both efficient and robust, improving classification while avoiding negative transfer. Moreover, we demonstrate the effectiveness of the TAB model on non-parametric classification and logistic regression tasks, achieving upper bounds which are optimal up to logarithmic factors. Simulation studies lend further support to the effectiveness of TAB. We also provide simple approaches to bound the excess misclassification error without the need for specialized knowledge in transfer learning.

Inferences on Mixing Probabilities and Ranking in Mixed-Membership Models

Network data is prevalent in numerous big data applications including economics and health networks where it is of prime importance to understand the latent structure of network. In this paper, we model the network using the Degree-Corrected Mixed Membership (DCMM) model. In DCMM model, for each node $i$, there exists a membership vector $\boldsymbol{\pi}_ i = (\boldsymbol{\pi}_i(1), \boldsymbol{\pi}_i(2),\ldots, \boldsymbol{\pi}_i(K))$, where $\boldsymbol{\pi}_i(k)$ denotes the weight that node $i$ puts in community $k$. We derive novel finite-sample expansion for the $\boldsymbol{\pi}_i(k)$s which allows us to obtain asymptotic distributions and confidence interval of the membership mixing probabilities and other related population quantities. This fills an important gap on uncertainty quantification on the membership profile. We further develop a ranking scheme of the vertices based on the membership mixing probabilities on certain communities and perform relevant statistical inferences. A multiplier bootstrap method is proposed for ranking inference of individual member's profile with respect to a given community. The validity of our theoretical results is further demonstrated by via numerical experiments in both real and synthetic data examples.

Spectral Ranking Inferences based on General Multiway Comparisons

This paper studies the performance of the spectral method in the estimation and uncertainty quantification of the unobserved preference scores of compared entities in a very general and more realistic setup in which the comparison graph consists of hyper-edges of possible heterogeneous sizes and the number of comparisons can be as low as one for a given hyper-edge. Such a setting is pervasive in real applications, circumventing the need to specify the graph randomness and the restrictive homogeneous sampling assumption imposed in the commonly-used Bradley-Terry-Luce (BTL) or Plackett-Luce (PL) models. Furthermore, in the scenarios when the BTL or PL models are appropriate, we unravel the relationship between the spectral estimator and the Maximum Likelihood Estimator (MLE). We discover that a two-step spectral method, where we apply the optimal weighting estimated from the equal weighting vanilla spectral method, can achieve the same asymptotic efficiency as the MLE. Given the asymptotic distributions of the estimated preference scores, we also introduce a comprehensive framework to carry out both one-sample and two-sample ranking inferences, applicable to both fixed and random graph settings. It is noteworthy that it is the first time effective two-sample rank testing methods are proposed. Finally, we substantiate our findings via comprehensive numerical simulations and subsequently apply our developed methodologies to perform statistical inferences on statistics journals and movie rankings.

UTOPIA: Universally Trainable Optimal Prediction Intervals Aggregation

Uncertainty quantification for prediction is an intriguing problem with significant applications in various fields, such as biomedical science, economic studies, and weather forecasts. Numerous methods are available for constructing prediction intervals, such as quantile regression and conformal predictions, among others. Nevertheless, model misspecification (especially in high-dimension) or sub-optimal constructions can frequently result in biased or unnecessarily-wide prediction intervals. In this paper, we propose a novel and widely applicable technique for aggregating multiple prediction intervals to minimize the average width of the prediction band along with coverage guarantee, called Universally Trainable Optimal Predictive Intervals Aggregation (UTOPIA). The method also allows us to directly construct predictive bands based on elementary basis functions. Our approach is based on linear or convex programming which is easy to implement. All of our proposed methodologies are supported by theoretical guarantees on the coverage probability and optimal average length, which are detailed in this paper. The effectiveness of our approach is convincingly demonstrated by applying it to synthetic data and two real datasets on finance and macroeconomics.