arXiv subjects

Xiuyuan Cheng

Publications and source records attributed to Xiuyuan Cheng.

At least 19 recordsLinked to original sources

arXiv2026

Learning manifold diffusion semigroups from graph transition matrices

We consider graph diffusion processes constructed from finite i.i.d. samples drawn from an unknown manifold embedded in ambient Euclidean space, where the graph affinity is defined by an ambient Gaussian kernel matrix. We show that the manifold heat semigroup $Q_t = e^{t\Delta}$ can be approximated directly by iterating the graph transition matrix $P$, under only low regularity assumptions on the test function $f$, including the case $f \in L^\infty$. We bound $\| P^n f - Q_t f \|$ in $\infty$-norm, with the operator application to $f$ properly defined, and we recover the classical graph-Laplacian pointwise rate $O(N^{-2/(d+6)})$ up to logarithmic factors, for diffusion times $t $ up to $O(1)$ and longer. The rate holds for in-sample error as well as out-of-sample generalization, where the estimator of $Q_t f$ at a new point is defined via kernel convolution. To handle non-uniform sampling densities on the manifold, we introduce a right-normalization of the graph transition matrix; under the assumption that the sampling density $p$ is $C^3$ and bounded away from zero, the same convergence rates hold. We numerically demonstrate the performance of the proposed estimator on simulated data.

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arXiv2026

Generative models for decision-making under distributional shift

Many data-driven decision problems are formulated using a nominal distribution estimated from historical data, while performance is ultimately determined by a deployment distribution that may be shifted, context-dependent, partially observed, or stress-induced. This tutorial presents modern generative models, particularly flow- and score-based methods, as mathematical tools for constructing decision-relevant distributions. From an operations research perspective, their primary value lies not in unconstrained sample synthesis but in representing and transforming distributions through transport maps, velocity fields, score fields, and guided stochastic dynamics. We present a unified framework based on pushforward maps, continuity, Fokker-Planck equations, Wasserstein geometry, and optimization in probability space. Within this framework, generative models can be used to learn nominal uncertainty, construct stressed or least-favorable distributions for robustness, and produce conditional or posterior distributions under side information and partial observation. We also highlight representative theoretical guarantees, including forward-reverse convergence for iterative flow models, first-order minimax analysis in transport-map space, and error-transfer bounds for posterior sampling with generative priors. The tutorial provides a principled introduction to using generative models for scenario generation, robust decision-making, uncertainty quantification, and related problems under distributional shift.

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arXiv2026

Point processes with event time uncertainty

Point processes are widely used statistical models for continuous-time discrete event data, such as medical records, crime reports, and social network interactions, to capture the influence of historical events on future occurrences. In many applications, however, event times are not observed exactly, motivating the need to incorporate time uncertainty into point process modeling. In this work, we introduce a framework for modeling time-uncertain self-exciting point processes, known as Hawkes processes, possibly defined over a network. We begin by formulating the model in continuous time under assumptions motivated by real-world scenarios. By imposing a time grid, we obtain a discrete-time model that facilitates inference and enables computation via first-order optimization methods such as gradient descent and variational inequality (VI). We establish a parameter recovery guarantee for VI inference with an $O(1/k)$ convergence rate using $k$ steps. Our framework accommodates non-stationary processes by representing the influence kernel as a matrix (or tensor on a network), while also encompassing stationary processes, such as the classical Hawkes process, as a special case. Empirically, we demonstrate that the proposed approach outperforms existing baselines on both simulated and real-world datasets, including the sepsis-associated derangement prediction challenge and the Atlanta Police Crime Dataset.

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arXiv2025

Worst-case generation via minimax optimization in Wasserstein space

Worst-case generation plays a critical role in evaluating robustness and stress-testing systems under distribution shifts, in applications ranging from machine learning models to power grids and medical prediction systems. We develop a generative modeling framework for worst-case generation for a pre-specified risk, based on min-max optimization over continuous probability distributions, namely the Wasserstein space. Unlike traditional discrete distributionally robust optimization approaches, which often suffer from scalability issues, limited generalization, and costly worst-case inference, our framework exploits the Brenier theorem to characterize the least favorable (worst-case) distribution as the pushforward of a transport map from a continuous reference measure, enabling a continuous and expressive notion of risk-induced generation beyond classical discrete DRO formulations. Based on the min-max formulation, we propose a Gradient Descent Ascent (GDA)-type scheme that updates the decision model and the transport map in a single loop, establishing global convergence guarantees under mild regularity assumptions and possibly without convexity-concavity. We also propose to parameterize the transport map using a neural network that can be trained simultaneously with the GDA iterations by matching the transported training samples, thereby achieving a simulation-free approach. The efficiency of the proposed method as a risk-induced worst-case generator is validated by numerical experiments on synthetic and image data.

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arXiv2025

High-dimensional Mean-Field Games by Particle-based Flow Matching

Mean-field games (MFGs) study the Nash equilibrium of systems with a continuum of interacting agents, which can be formulated as the fixed-point of optimal control problems. They provide a unified framework for a variety of applications, including optimal transport (OT) and generative models. Despite their broad applicability, solving high-dimensional MFGs remains a significant challenge due to fundamental computational and analytical obstacles. In this work, we propose a particle-based deep Flow Matching (FM) method to tackle high-dimensional MFG computation. In each iteration of our proximal fixed-point scheme, particles are updated using first-order information, and a flow neural network is trained to match the velocity of the sample trajectories in a simulation-free manner. Theoretically, in the optimal control setting, we prove that our scheme converges to a stationary point sublinearly, and upgrade to linear (exponential) convergence under additional convexity assumptions. Our proof uses FM to induce an Eulerian coordinate (density-based) from a Lagrangian one (particle-based), and this also leads to certain equivalence results between the two formulations for MFGs when the Eulerian solution is sufficiently regular. Our method demonstrates promising performance on non-potential MFGs and high-dimensional OT problems cast as MFGs through a relaxed terminal-cost formulation.

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arXiv2025

Eigen-convergence of Gaussian kernelized graph Laplacian by manifold heat interpolation

This work studies the spectral convergence of graph Laplacian to the Laplace-Beltrami operator when the graph affinity matrix is constructed from $N$ random samples on a $d$-dimensional manifold embedded in a possibly high dimensional space. By analyzing Dirichlet form convergence and constructing candidate approximate eigenfunctions via convolution with manifold heat kernel, we prove that, with Gaussian kernel, one can set the kernel bandwidth parameter $ε\sim (\log N/ N)^{1/(d/2+2)}$ such that the eigenvalue convergence rate is $N^{-1/(d/2+2)}$ and the eigenvector convergence in 2-norm has rate $N^{-1/(d+4)}$; When $ε\sim (\log N/N)^{1/(d/2+3)}$, both eigenvalue and eigenvector rates are $N^{-1/(d/2+3)}$. These rates are up to a $\log N$ factor and proved for finitely many low-lying eigenvalues. The result holds for un-normalized and random-walk graph Laplacians when data are uniformly sampled on the manifold, as well as the density-corrected graph Laplacian (where the affinity matrix is normalized by the degree matrix from both sides) with non-uniformly sampled data. As an intermediate result, we prove new point-wise and Dirichlet form convergence rates for the density-corrected graph Laplacian. Numerical results are provided to verify the theory.

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arXiv2025

Flow-based generative models as iterative algorithms in probability space

Generative AI (GenAI) has revolutionized data-driven modeling by enabling the synthesis of high-dimensional data across various applications, including image generation, language modeling, biomedical signal processing, and anomaly detection. Flow-based generative models provide a powerful framework for capturing complex probability distributions, offering exact likelihood estimation, efficient sampling, and deterministic transformations between distributions. These models leverage invertible mappings governed by Ordinary Differential Equations (ODEs), enabling precise density estimation and likelihood evaluation. This tutorial presents an intuitive mathematical framework for flow-based generative models, formulating them as neural network-based representations of continuous probability densities. We explore key theoretical principles, including the Wasserstein metric, gradient flows, and density evolution governed by ODEs, to establish convergence guarantees and bridge empirical advancements with theoretical insights. By providing a rigorous yet accessible treatment, we aim to equip researchers and practitioners with the necessary tools to effectively apply flow-based generative models in signal processing and machine learning.

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arXiv2025

Deep spatio-temporal point processes: Advances and new directions

Spatio-temporal point processes (STPPs) model discrete events distributed in time and space, with important applications in areas such as criminology, seismology, epidemiology, and social networks. Traditional models often rely on parametric kernels, limiting their ability to capture heterogeneous, nonstationary dynamics. Recent innovations integrate deep neural architectures -- either by modeling the conditional intensity function directly or by learning flexible, data-driven influence kernels, substantially broadening their expressive power. This article reviews the development of the deep influence kernel approach, which enjoys statistical explainability, since the influence kernel remains in the model to capture the spatiotemporal propagation of event influence and its impact on future events, while also possessing strong expressive power, thereby benefiting from both worlds. We explain the main components in developing deep kernel point processes, leveraging tools such as functional basis decomposition and graph neural networks to encode complex spatial or network structures, as well as estimation using both likelihood-based and likelihood-free methods, and address computational scalability for large-scale data. We also discuss the theoretical foundation of kernel identifiability. Simulated and real-data examples highlight applications to crime analysis, earthquake aftershock prediction, and sepsis prediction modeling, and we conclude by discussing promising directions for the field.

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arXiv2025

Convergence Analysis and Acceleration of Fictitious Play for General Mean-Field Games via the Best Response

A mean-field game (MFG) seeks the Nash Equilibrium of a game involving a continuum of players, where the Nash Equilibrium corresponds to a fixed point of the best-response mapping. However, simple fixed-point iterations do not always guarantee convergence. Fictitious play is an iterative algorithm that leverages a best-response mapping combined with a weighted average. Through a thorough study of the best-response mapping, this paper develops a simple and unified convergence analysis, providing the first explicit convergence rate for the fictitious play algorithm in MFGs of general types, especially non-potential MFGs. We demonstrate that the convergence and rate can be controlled through the weighting parameter in the algorithm, with linear convergence achievable under a general assumption. Building on this analysis, we propose two strategies to accelerate fictitious play. The first uses a backtracking line search to optimize the weighting parameter, while the second employs a hierarchical grid strategy to enhance stability and computational efficiency. We demonstrate the effectiveness of these acceleration techniques and validate our convergence rate analysis with various numerical examples.

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arXiv2025

Adaptive Bayesian Regression on Data with Low Intrinsic Dimensionality

We study how the posterior contraction rate under a Gaussian process (GP) prior depends on the intrinsic dimension of the predictors and the smoothness of the regression function. An open question is whether a generic GP prior that does not incorporate knowledge of the intrinsic lower-dimensional structure of the predictors can attain an adaptive rate for a broad class of such structures. We show that this is indeed the case, establishing conditions under which the posterior contraction rates become adaptive to the intrinsic dimension in terms of the covering number of the data domain (the Minkowski dimension) and prove the nonparametric posterior contraction rate, up to a logarithmic factor. When the domain is a compact manifold, we prove the RKHS approximation to intrinsically defined Hölder functions on the manifold of any order of smoothness by a novel analysis, leading to the optimal adaptive posterior contraction rate. We propose an empirical Bayes prior on the kernel bandwidth using kernel affinity and $k$-nearest neighbor statistics, bypassing explicit estimation of the intrinsic dimension. The efficiency of the proposed Bayesian regression approach is demonstrated in various numerical experiments.

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arXiv2025

Computing high-dimensional optimal transport by flow neural networks

Computing optimal transport (OT) for general high-dimensional data has been a long-standing challenge. Despite much progress, most of the efforts including neural network methods have been focused on the static formulation of the OT problem. The current work proposes to compute the dynamic OT between two arbitrary distributions $P$ and $Q$ by optimizing a flow model, where both distributions are only accessible via finite samples. Our method learns the dynamic OT by finding an invertible flow that minimizes the transport cost. The trained optimal transport flow subsequently allows for performing many downstream tasks, including infinitesimal density ratio estimation (DRE) and domain adaptation by interpolating distributions in the latent space. The effectiveness of the proposed model on high-dimensional data is demonstrated by strong empirical performance on OT baselines, image-to-image translation, and high-dimensional DRE.

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arXiv2024

Improved convergence rate of kNN graph Laplacians: differentiable self-tuned affinity

In graph-based data analysis, $k$-nearest neighbor ($k$NN) graphs are widely used due to their adaptivity to local data densities. Allowing weighted edges in the graph, the kernelized graph affinity provides a more general type of $k$NN graph where the $k$NN distance is used to set the kernel bandwidth adaptively. In this work, we consider a general class of $k$NN graph where the graph affinity is $W_{ij} = \epsilon^{-d/2} k_0 ( \| x_i - x_j \|^2 / \epsilon \phi( \hat \rho(x_i), \hat \rho(x_j) )^2 ) $, with $\hat{\rho}(x)$ being the (rescaled) $k$NN distance at the point $x$, $\phi$ a symmetric bi-variate function, and $k_0$ a non-negative function on $[0,\infty)$. Under the manifold data setting, where $N$ i.i.d. samples $x_i$ are drawn from a density $p$ on a $d$-dimensional unknown manifold embedded in a high dimensional Euclidean space, we prove the operator pointwise convergence of the $k$NN graph Laplacian to the limiting manifold operator (depending on $p$) at the rate of $O(N^{-2/(d+6)})$, up to a log factor, when $k_0$ and $\phi$ have $C^3$ regularity and satisfy other technical conditions. This is obtained when $\epsilon \sim N^{-2/(d+6)}$ and $k \sim N^{6/(d+6)}$, both at the optimal order to balance the theoretical bias and variance errors. Our improved convergence rate is based on a refined analysis of the $k$NN estimator, which can be of independent interest. We validate our theory by numerical experiments on simulated data.

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arXiv2024

Local Flow Matching Generative Models

Flow Matching (FM) is a simulation-free method for learning a continuous, invertible flow that interpolates between two distributions, and in particular generates data from noise. Inspired by the variational nature of the diffusion process as a gradient flow, we introduce a stepwise FM model, Local Flow Matching (LFM), which sequentially learns a sequence of FM submodels, each matching a diffusion process up to the time-step size in the data-to-noise direction. In each step, the two distributions to be interpolated by the sub-flow model are closer than those in the full-flow matching model, which interpolates data to noise distributions, enabling smaller models with more efficient training. This variational perspective also allows us to prove a theoretical generation guarantee for the proposed flow model in terms of the $\chi^2$-divergence between the generated and true data distributions, leveraging the contraction property of the diffusion process. In practice, the stepwise structure of LFM is naturally amenable to model distillation, and various distillation techniques can be applied to accelerate generation. We empirically demonstrate that LFM achieves competitive generative performance compared to FM on unconditional generation of tabular and image datasets, and on conditional generation of robotic manipulation policies.

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arXiv2024

Posterior sampling via Langevin dynamics based on generative priors

Posterior sampling in high-dimensional spaces using generative models holds significant promise for various applications, including but not limited to inverse problems and guided generation tasks. Despite many recent developments, generating diverse posterior samples remains a challenge, as existing methods require restarting the entire generative process for each new sample, making the procedure computationally expensive. In this work, we propose efficient posterior sampling by simulating Langevin dynamics in the noise space of a pre-trained generative model. By exploiting the mapping between the noise and data spaces which can be provided by distilled flows or consistency models, our method enables seamless exploration of the posterior without the need to re-run the full sampling chain, drastically reducing computational overhead. Theoretically, we prove a guarantee for the proposed noise-space Langevin dynamics to approximate the posterior, assuming that the generative model sufficiently approximates the prior distribution. Our framework is experimentally validated on image restoration tasks involving noisy linear and nonlinear forward operators applied to LSUN-Bedroom (256 x 256) and ImageNet (64 x 64) datasets. The results demonstrate that our approach generates high-fidelity samples with enhanced semantic diversity even under a limited number of function evaluations, offering superior efficiency and performance compared to existing diffusion-based posterior sampling techniques.

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arXiv2024

G-invariant diffusion maps

The diffusion maps embedding of data lying on a manifold has shown success in tasks such as dimensionality reduction, clustering, and data visualization. In this work, we consider embedding data sets that were sampled from a manifold which is closed under the action of a continuous matrix group. An example of such a data set is images whose planar rotations are arbitrary. The G-invariant graph Laplacian, introduced in Part I of this work, admits eigenfunctions in the form of tensor products between the elements of the irreducible unitary representations of the group and eigenvectors of certain matrices. We employ these eigenfunctions to derive diffusion maps that intrinsically account for the group action on the data. In particular, we construct both equivariant and invariant embeddings, which can be used to cluster and align the data points. We demonstrate the utility of our construction in the problem of random computerized tomography.

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arXiv2024

Bi-stochastically normalized graph Laplacian: convergence to manifold Laplacian and robustness to outlier noise

Bi-stochastic normalization provides an alternative normalization of graph Laplacians in graph-based data analysis and can be computed efficiently by Sinkhorn-Knopp (SK) iterations. This paper proves the convergence of bi-stochastically normalized graph Laplacian to manifold (weighted-)Laplacian with rates, when $n$ data points are i.i.d. sampled from a general $d$-dimensional manifold embedded in a possibly high-dimensional space. Under certain joint limit of $n \to \infty$ and kernel bandwidth $ε\to 0$, the point-wise convergence rate of the graph Laplacian operator (under 2-norm) is proved to be $ O( n^{-1/(d/2+3)})$ at finite large $n$ up to log factors, achieved at the scaling of $ε\sim n^{-1/(d/2+3)} $. When the manifold data are corrupted by outlier noise, we theoretically prove the graph Laplacian point-wise consistency which matches the rate for clean manifold data plus an additional term proportional to the boundedness of the inner-products of the noise vectors among themselves and with data vectors. Motivated by our analysis, which suggests that not exact bi-stochastic normalization but an approximate one will achieve the same consistency rate, we propose an approximate and constrained matrix scaling problem that can be solved by SK iterations with early termination. Numerical experiments support our theoretical results and show the robustness of bi-stochastically normalized graph Laplacian to high-dimensional outlier noise.

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arXiv2024

Training Guarantees of Neural Network Classification Two-Sample Tests by Kernel Analysis

We construct and analyze a neural network two-sample test to determine whether two datasets came from the same distribution (null hypothesis) or not (alternative hypothesis). We perform time-analysis on a neural tangent kernel (NTK) two-sample test. In particular, we derive the theoretical minimum training time needed to ensure the NTK two-sample test detects a deviation-level between the datasets. Similarly, we derive the theoretical maximum training time before the NTK two-sample test detects a deviation-level. By approximating the neural network dynamics with the NTK dynamics, we extend this time-analysis to the realistic neural network two-sample test generated from time-varying training dynamics and finite training samples. A similar extension is done for the neural network two-sample test generated from time-varying training dynamics but trained on the population. To give statistical guarantees, we show that the statistical power associated with the neural network two-sample test goes to 1 as the neural network training samples and test evaluation samples go to infinity. Additionally, we prove that the training times needed to detect the same deviation-level in the null and alternative hypothesis scenarios are well-separated. Finally, we run some experiments showcasing a two-layer neural network two-sample test on a hard two-sample test problem and plot a heatmap of the statistical power of the two-sample test in relation to training time and network complexity.

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arXiv2024

Convergence of flow-based generative models via proximal gradient descent in Wasserstein space

Flow-based generative models enjoy certain advantages in computing the data generation and the likelihood, and have recently shown competitive empirical performance. Compared to the accumulating theoretical studies on related score-based diffusion models, analysis of flow-based models, which are deterministic in both forward (data-to-noise) and reverse (noise-to-data) directions, remain sparse. In this paper, we provide a theoretical guarantee of generating data distribution by a progressive flow model, the so-called JKO flow model, which implements the Jordan-Kinderleherer-Otto (JKO) scheme in a normalizing flow network. Leveraging the exponential convergence of the proximal gradient descent (GD) in Wasserstein space, we prove the Kullback-Leibler (KL) guarantee of data generation by a JKO flow model to be $O(\varepsilon^2)$ when using $N \lesssim \log (1/\varepsilon)$ many JKO steps ($N$ Residual Blocks in the flow) where $\varepsilon $ is the error in the per-step first-order condition. The assumption on data density is merely a finite second moment, and the theory extends to data distributions without density and when there are inversion errors in the reverse process where we obtain KL-$W_2$ mixed error guarantees. The non-asymptotic convergence rate of the JKO-type $W_2$-proximal GD is proved for a general class of convex objective functionals that includes the KL divergence as a special case, which can be of independent interest. The analysis framework can extend to other first-order Wasserstein optimization schemes applied to flow-based generative models.

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