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Statistical Convergence of Spherical First Hitting Diffusion Models

arXiv.org Machine Learning

Denoising diffusion models have evolved into a state-of-the-art method for tasks in various fields, such as denoising and generation of images, text generation, or generation of synthetic data for training of other machine learning models. First hitting diffusion models (FHDM) are a particular class of denoising diffusion models with \textit{random} adaptive generation time tailored to generate data on a known manifold. Building on the conditioning framework of Doob's $h$-transform these models leverage the given information on the target data manifold to demonstrate strong performance across tasks while offering distinct features such as time-homogeneous dynamics of the generating process and a reduced average simulation time. Even though the theoretical investigation of standard forward-backward diffusion models has attracted much attention in the recent past, the statistical convergence properties of FHDMs are not yet understood. In this work, we show that, up to logarithmic factors, FHDMs achieve the minimax optimal convergence rate in total variation for spherically supported Sobolev smooth data distributions. In particular, this is the first statistical optimality result for denoising diffusion modelling with random generation time.




Diffusion Transformers for Imputation: Statistical Efficiency and Uncertainty Quantification

arXiv.org Machine Learning

Imputation methods play a critical role in enhancing the quality of practical time-series data, which often suffer from pervasive missing values. Recently, diffusion-based generative imputation methods have demonstrated remarkable success compared to autoregressive and conventional statistical approaches. Despite their empirical success, the theoretical understanding of how well diffusion-based models capture complex spatial and temporal dependencies between the missing values and observed ones remains limited. Our work addresses this gap by investigating the statistical efficiency of conditional diffusion transformers for imputation and quantifying the uncertainty in missing values. Specifically, we derive statistical sample complexity bounds based on a novel approximation theory for conditional score functions using transformers, and, through this, construct tight confidence regions for missing values. Our findings also reveal that the efficiency and accuracy of imputation are significantly influenced by the missing patterns. Furthermore, we validate these theoretical insights through simulation and propose a mixed-masking training strategy to enhance the imputation performance.


Multimodal Transformers are Hierarchical Modal-wise Heterogeneous Graphs

arXiv.org Artificial Intelligence

Multimodal Sentiment Analysis (MSA) is a rapidly developing field that integrates multimodal information to recognize sentiments, and existing models have made significant progress in this area. The central challenge in MSA is multimodal fusion, which is predominantly addressed by Multimodal Transformers (MulTs). Although act as the paradigm, MulTs suffer from efficiency concerns. In this work, from the perspective of efficiency optimization, we propose and prove that MulTs are hierarchical modal-wise heterogeneous graphs (HMHGs), and we introduce the graph-structured representation pattern of MulTs. Based on this pattern, we propose an Interlaced Mask (IM) mechanism to design the Graph-Structured and Interlaced-Masked Multimodal Transformer (GsiT). It is formally equivalent to MulTs which achieves an efficient weight-sharing mechanism without information disorder through IM, enabling All-Modal-In-One fusion with only 1/3 of the parameters of pure MulTs. A Triton kernel called Decomposition is implemented to ensure avoiding additional computational overhead. Moreover, it achieves significantly higher performance than traditional MulTs. To further validate the effectiveness of GsiT itself and the HMHG concept, we integrate them into multiple state-of-the-art models and demonstrate notable performance improvements and parameter reduction on widely used MSA datasets.


e3: Learning to Explore Enables Extrapolation of Test-Time Compute for LLMs

arXiv.org Artificial Intelligence

Test-time scaling offers a promising path to improve LLM reasoning by utilizing more compute at inference time; however, the true promise of this paradigm lies in extrapolation (i.e., improvement in performance on hard problems as LLMs keep "thinking" for longer, beyond the maximum token budget they were trained on). Surprisingly, we find that most existing reasoning models do not extrapolate well. We show that one way to enable extrapolation is by training the LLM to perform in-context exploration: training the LLM to effectively spend its test time budget by chaining operations (such as generation, verification, refinement, etc.), or testing multiple hypotheses before it commits to an answer. To enable in-context exploration, we identify three key ingredients as part of our recipe e3: (1) chaining skills that the base LLM has asymmetric competence in, e.g., chaining verification (easy) with generation (hard), as a way to implement in-context search; (2) leveraging "negative" gradients from incorrect traces to amplify exploration during RL, resulting in longer search traces that chains additional asymmetries; and (3) coupling task difficulty with training token budget during training via a specifically-designed curriculum to structure in-context exploration. Our recipe e3 produces the best known 1.7B model according to AIME'25 and HMMT'25 scores, and extrapolates to 2x the training token budget. Our e3-1.7B model not only attains high pass@1 scores, but also improves pass@k over the base model.


ChronosX: Adapting Pretrained Time Series Models with Exogenous Variables

arXiv.org Artificial Intelligence

Covariates provide valuable information on external factors that influence time series and are critical in many real-world time series forecasting tasks. For example, in retail, covariates may indicate promotions or peak dates such as holiday seasons that heavily influence demand forecasts. Recent advances in pretraining large language model architectures for time series forecasting have led to highly accurate forecasters. However, the majority of these models do not readily use covariates as they are often specific to a certain task or domain. This paper introduces a new method to incorporate covariates into pretrained time series forecasting models. Our proposed approach incorporates covariate information into pretrained forecasting models through modular blocks that inject past and future covariate information, without necessarily modifying the pretrained model in consideration. In order to evaluate our approach, we introduce a benchmark composed of 32 different synthetic datasets with varying dynamics to evaluate the effectivity of forecasting models with covariates. Extensive evaluations on both synthetic and real datasets show that our approach effectively incorporates covariate information into pretrained models, outperforming existing baselines.


Generalization error bound for denoising score matching under relaxed manifold assumption

arXiv.org Machine Learning

We examine theoretical properties of the denoising score matching estimate. We model the density of observations with a nonparametric Gaussian mixture. We significantly relax the standard manifold assumption allowing the samples step away from the manifold. At the same time, we are still able to leverage a nice distribution structure. We derive non-asymptotic bounds on the approximation and generalization errors of the denoising score matching estimate. The rates of convergence are determined by the intrinsic dimension. Furthermore, our bounds remain valid even if we allow the ambient dimension grow polynomially with the sample size.


Dense ReLU Neural Networks for Temporal-spatial Model

arXiv.org Machine Learning

In this paper, we focus on fully connected deep neural networks utilizing the Rectified Linear Unit (ReLU) activation function for nonparametric estimation. We derive non-asymptotic bounds that lead to convergence rates, addressing both temporal and spatial dependence in the observed measurements. By accounting for dependencies across time and space, our models better reflect the complexities of real-world data, enhancing both predictive performance and theoretical robustness. We also tackle the curse of dimensionality by modeling the data on a manifold, exploring the intrinsic dimensionality of high-dimensional data. We broaden existing theoretical findings of temporal-spatial analysis by applying them to neural networks in more general contexts and demonstrate that our proof techniques are effective for models with short-range dependence. Our empirical simulations across various synthetic response functions underscore the superior performance of our method, outperforming established approaches in the existing literature. These findings provide valuable insights into the strong capabilities of dense neural networks (Dense NN) for temporal-spatial modeling across a broad range of function classes.


Nonparametric estimation of a factorizable density using diffusion models

arXiv.org Machine Learning

In recent years, diffusion models, and more generally score-based deep generative models, have achieved remarkable success in various applications, including image and audio generation. In this paper, we view diffusion models as an implicit approach to nonparametric density estimation and study them within a statistical framework to analyze their surprising performance. A key challenge in high-dimensional statistical inference is leveraging low-dimensional structures inherent in the data to mitigate the curse of dimensionality. We assume that the underlying density exhibits a low-dimensional structure by factorizing into low-dimensional components, a property common in examples such as Bayesian networks and Markov random fields. Under suitable assumptions, we demonstrate that an implicit density estimator constructed from diffusion models adapts to the factorization structure and achieves the minimax optimal rate with respect to the total variation distance. In constructing the estimator, we design a sparse weight-sharing neural network architecture, where sparsity and weight-sharing are key features of practical architectures such as convolutional neural networks and recurrent neural networks.