Yao Xie

Chen Xu, Xiuyuan Cheng, Yao Xie · gatech

Normalizing flow is a class of deep generative models for efficient sampling and likelihood estimation, which achieves attractive performance, particularly in high dimensions. The flow is often implemented using a sequence of invertible residual blocks. Existing works adopt special network architectures and regularization of flow trajectories. In this paper, we develop a neural ODE flow network called JKO-iFlow, inspired by the Jordan-Kinderleherer-Otto (JKO) scheme, which unfolds the discrete-time dynamic of the Wasserstein gradient flow. The proposed method stacks residual blocks one after another, allowing efficient block-wise training of the residual blocks, avoiding sampling SDE trajectories and score matching or variational learning, thus reducing the memory load and difficulty in end-to-end training. We also develop adaptive time reparameterization of the flow network with a progressive refinement of the induced trajectory in probability space to improve the model accuracy further. Experiments with synthetic and real data show that the proposed JKO-iFlow network achieves competitive performance compared with existing flow and diffusion models at a significantly reduced computational and memory cost.

Anatoli Juditsky, Arkadi Nemirovski, Yao Xie et al. · gatech

We introduce a new computational framework for estimating parameters in generalized generalized linear models (GGLM), a class of models that extends the popular generalized linear models (GLM) to account for dependencies among observations in spatio-temporal data. The proposed approach uses a monotone operator-based variational inequality method to overcome non-convexity in parameter estimation and provide guarantees for parameter recovery. The results can be applied to GLM and GGLM, focusing on spatio-temporal models. We also present online instance-based bounds using martingale concentrations inequalities. Finally, we demonstrate the performance of the algorithm using numerical simulations and a real data example for wildfire incidents.

Chen Xu, Xiuyuan Cheng, Yao Xie · gatech

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop \textit{invertible graph neural network} (iGNN), a deep generative model to tackle the inverse prediction problem on graphs by casting it as a conditional generative task. The proposed model consists of an invertible sub-network that maps one-to-one from data to an intermediate encoded feature, which allows forward prediction by a linear classification sub-network as well as efficient generation from output labels via a parametric mixture model. The invertibility of the encoding sub-network is ensured by a Wasserstein-2 regularization which allows free-form layers in the residual blocks. The model is scalable to large graphs by a factorized parametric mixture model of the encoded feature and is computationally scalable by using GNN layers. The existence of invertible flow mapping is backed by theories of optimal transport and diffusion process, and we prove the expressiveness of graph convolution layers to approximate the theoretical flows of graph data. The proposed iGNN model is experimentally examined on synthetic data, including the example on large graphs, and the empirical advantage is also demonstrated on real-application datasets of solar ramping event data and traffic flow anomaly detection.

Chen Xu, Yao Xie · gatech

We present a new distribution-free conformal prediction algorithm for sequential data (e.g., time series), called the \textit{sequential predictive conformal inference} (\texttt{SPCI}). We specifically account for the nature that time series data are non-exchangeable, and thus many existing conformal prediction algorithms are not applicable. The main idea is to adaptively re-estimate the conditional quantile of non-conformity scores (e.g., prediction residuals), upon exploiting the temporal dependence among them. More precisely, we cast the problem of conformal prediction interval as predicting the quantile of a future residual, given a user-specified point prediction algorithm. Theoretically, we establish asymptotic valid conditional coverage upon extending consistency analyses in quantile regression. Using simulation and real-data experiments, we demonstrate a significant reduction in interval width of \texttt{SPCI} compared to other existing methods under the desired empirical coverage.

Chen Xu, Yao Xie · gatech

When building either prediction intervals for regression (with real-valued response) or prediction sets for classification (with categorical responses), uncertainty quantification is essential to studying complex machine learning methods. In this paper, we develop Ensemble Regularized Adaptive Prediction Set (ERAPS) to construct prediction sets for time-series (with categorical responses), based on the prior work of [Xu and Xie, 2021]. In particular, we allow unknown dependencies to exist within features and responses that arrive in sequence. Method-wise, ERAPS is a distribution-free and ensemble-based framework that is applicable for arbitrary classifiers. Theoretically, we bound the coverage gap without assuming data exchangeability and show asymptotic set convergence. Empirically, we demonstrate valid marginal and conditional coverage by ERAPS, which also tends to yield smaller prediction sets than competing methods.

Chen Xu, Jonghyeok Lee, Xiuyuan Cheng et al. · gatech

We present a computationally efficient framework, called $\texttt{FlowDRO}$, for solving flow-based distributionally robust optimization (DRO) problems with Wasserstein uncertainty sets while aiming to find continuous worst-case distribution (also called the Least Favorable Distribution, LFD) and sample from it. The requirement for LFD to be continuous is so that the algorithm can be scalable to problems with larger sample sizes and achieve better generalization capability for the induced robust algorithms. To tackle the computationally challenging infinitely dimensional optimization problem, we leverage flow-based models and continuous-time invertible transport maps between the data distribution and the target distribution and develop a Wasserstein proximal gradient flow type algorithm. In theory, we establish the equivalence of the solution by optimal transport map to the original formulation, as well as the dual form of the problem through Wasserstein calculus and Brenier theorem. In practice, we parameterize the transport maps by a sequence of neural networks progressively trained in blocks by gradient descent. We demonstrate its usage in adversarial learning, distributionally robust hypothesis testing, and a new mechanism for data-driven distribution perturbation differential privacy, where the proposed method gives strong empirical performance on high-dimensional real data.

Khurram Yamin, Haoyun Wang, Benoit Montreuil et al.

In this paper, we attempt to detect an inflection or change-point resulting from the Covid-19 pandemic on supply chain data received from a large furniture company. To accomplish this, we utilize a modified CUSUM (Cumulative Sum) procedure on the company's spatial-temporal order data as well as a GLR (Generalized Likelihood Ratio) based method. We model the order data using the Hawkes Process Network, a multi-dimensional self and mutually exciting point process, by discretizing the spatial data and treating each order as an event that has a corresponding node and time. We apply the methodologies on the company's most ordered item on a national scale and perform a deep dive into a single state. Because the item was ordered infrequently in the state compared to the nation, this approach allows us to show efficacy upon different degrees of data sparsity. Furthermore, it showcases use potential across differing levels of spatial detail.

Wenjian Yao, Jiajun Bai, Wei Liao et al.

Medical image segmentation is an important step in medical image analysis, especially as a crucial prerequisite for efficient disease diagnosis and treatment. The use of deep learning for image segmentation has become a prevalent trend. The widely adopted approach currently is U-Net and its variants. Additionally, with the remarkable success of pre-trained models in natural language processing tasks, transformer-based models like TransUNet have achieved desirable performance on multiple medical image segmentation datasets. In this paper, we conduct a survey of the most representative four medical image segmentation models in recent years. We theoretically analyze the characteristics of these models and quantitatively evaluate their performance on two benchmark datasets (i.e., Tuberculosis Chest X-rays and ovarian tumors). Finally, we discuss the main challenges and future trends in medical image segmentation. Our work can assist researchers in the related field to quickly establish medical segmentation models tailored to specific regions.

Jie Wang, Minshuo Chen, Tuo Zhao et al.

Two-sample tests are important areas aiming to determine whether two collections of observations follow the same distribution or not. We propose two-sample tests based on integral probability metric (IPM) for high-dimensional samples supported on a low-dimensional manifold. We characterize the properties of proposed tests with respect to the number of samples $n$ and the structure of the manifold with intrinsic dimension $d$. When an atlas is given, we propose two-step test to identify the difference between general distributions, which achieves the type-II risk in the order of $n^{-1/\max\{d,2\}}$. When an atlas is not given, we propose Hölder IPM test that applies for data distributions with $(s,β)$-Hölder densities, which achieves the type-II risk in the order of $n^{-(s+β)/d}$. To mitigate the heavy computation burden of evaluating the Hölder IPM, we approximate the Hölder function class using neural networks. Based on the approximation theory of neural networks, we show that the neural network IPM test has the type-II risk in the order of $n^{-(s+β)/d}$, which is in the same order of the type-II risk as the Hölder IPM test. Our proposed tests are adaptive to low-dimensional geometric structure because their performance crucially depends on the intrinsic dimension instead of the data dimension.

Zheng Dong, Xiuyuan Cheng, Yao Xie

Point process data are becoming ubiquitous in modern applications, such as social networks, health care, and finance. Despite the powerful expressiveness of the popular recurrent neural network (RNN) models for point process data, they may not successfully capture sophisticated non-stationary dependencies in the data due to their recurrent structures. Another popular type of deep model for point process data is based on representing the influence kernel (rather than the intensity function) by neural networks. We take the latter approach and develop a new deep non-stationary influence kernel that can model non-stationary spatio-temporal point processes. The main idea is to approximate the influence kernel with a novel and general low-rank decomposition, enabling efficient representation through deep neural networks and computational efficiency and better performance. We also take a new approach to maintain the non-negativity constraint of the conditional intensity by introducing a log-barrier penalty. We demonstrate our proposed method's good performance and computational efficiency compared with the state-of-the-art on simulated and real data.

Matthew Repasky, Xiuyuan Cheng, Yao Xie

Learning to differentiate model distributions from observed data is a fundamental problem in statistics and machine learning, and high-dimensional data remains a challenging setting for such problems. Metrics that quantify the disparity in probability distributions, such as the Stein discrepancy, play an important role in high-dimensional statistical testing. In this paper, we investigate the role of $L^2$ regularization in training a neural network Stein critic so as to distinguish between data sampled from an unknown probability distribution and a nominal model distribution. Making a connection to the Neural Tangent Kernel (NTK) theory, we develop a novel staging procedure for the weight of regularization over training time, which leverages the advantages of highly-regularized training at early times. Theoretically, we prove the approximation of the training dynamic by the kernel optimization, namely the ``lazy training'', when the $L^2$ regularization weight is large, and training on $n$ samples converge at a rate of ${O}(n^{-1/2})$ up to a log factor. The result guarantees learning the optimal critic assuming sufficient alignment with the leading eigen-modes of the zero-time NTK. The benefit of the staged $L^2$ regularization is demonstrated on simulated high dimensional data and an application to evaluating generative models of image data.

Jingge Wang, Liyan Xie, Yao Xie et al.

Domain generalization aims at learning a universal model that performs well on unseen target domains, incorporating knowledge from multiple source domains. In this research, we consider the scenario where different domain shifts occur among conditional distributions of different classes across domains. When labeled samples in the source domains are limited, existing approaches are not sufficiently robust. To address this problem, we propose a novel domain generalization framework called {Wasserstein Distributionally Robust Domain Generalization} (WDRDG), inspired by the concept of distributionally robust optimization. We encourage robustness over conditional distributions within class-specific Wasserstein uncertainty sets and optimize the worst-case performance of a classifier over these uncertainty sets. We further develop a test-time adaptation module leveraging optimal transport to quantify the relationship between the unseen target domain and source domains to make adaptive inference for target data. Experiments on the Rotated MNIST, PACS and the VLCS datasets demonstrate that our method could effectively balance the robustness and discriminability in challenging generalization scenarios.

Song Wei, Yao Xie

Structural learning, which aims to learn directed acyclic graphs (DAGs) from observational data, is foundational to causal reasoning and scientific discovery. Recent advancements formulate structural learning into a continuous optimization problem; however, DAG learning remains a highly non-convex problem, and there has not been much work on leveraging well-developed convex optimization techniques for causal structural learning. We fill this gap by proposing a data-adaptive linear approach for causal structural learning from time series data, which can be conveniently cast into a convex optimization problem using a recently developed monotone operator variational inequality (VI) formulation. Furthermore, we establish non-asymptotic recovery guarantee of the VI-based approach and show the superior performance of our proposed method on structure recovery over existing methods via extensive numerical experiments.

Khurram Yamin, Nima Jadali, Dima Nazzal et al.

In this paper, we propose a robust election simulation model and independently developed election anomaly detection algorithm that demonstrates the simulation's utility. The simulation generates artificial elections with similar properties and trends as elections from the real world, while giving users control and knowledge over all the important components of the elections. We generate a clean election results dataset without fraud as well as datasets with varying degrees of fraud. We then measure how well the algorithm is able to successfully detect the level of fraud present. The algorithm determines how similar actual election results are as compared to the predicted results from polling and a regression model of other regions that have similar demographics. We use k-means to partition electoral regions into clusters such that demographic homogeneity is maximized among clusters. We then use a novelty detection algorithm implemented as a one-class Support Vector Machine where the clean data is provided in the form of polling predictions and regression predictions. The regression predictions are built from the actual data in such a way that the data supervises itself. We show both the effectiveness of the simulation technique and the machine learning model in its success in identifying fraudulent regions.

Tingnan Gong, Junghwan Lee, Xiuyuan Cheng et al.

Change-point detection, detecting an abrupt change in the data distribution from sequential data, is a fundamental problem in statistics and machine learning. CUSUM is a popular statistical method for online change-point detection due to its efficiency from recursive computation and constant memory requirement, and it enjoys statistical optimality. CUSUM requires knowing the precise pre- and post-change distribution. However, post-change distribution is usually unknown a priori since it represents anomaly and novelty. Classic CUSUM can perform poorly when there is a model mismatch with actual data. While likelihood ratio-based methods encounter challenges facing high dimensional data, neural networks have become an emerging tool for change-point detection with computational efficiency and scalability. In this paper, we introduce a neural network CUSUM (NN-CUSUM) for online change-point detection. We also present a general theoretical condition when the trained neural networks can perform change-point detection and what losses can achieve our goal. We further extend our analysis by combining it with the Neural Tangent Kernel theory to establish learning guarantees for the standard performance metrics, including the average run length (ARL) and expected detection delay (EDD). The strong performance of NN-CUSUM is demonstrated in detecting change-point in high-dimensional data using both synthetic and real-world data.

Xiuyuan Cheng, Jianfeng Lu, Yixin Tan et al.

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.

Song Wei, Yao Xie, Christopher S. Josef et al.

We present a generalized linear structural causal model, coupled with a novel data-adaptive linear regularization, to recover causal directed acyclic graphs (DAGs) from time series. By leveraging a recently developed stochastic monotone Variational Inequality (VI) formulation, we cast the causal discovery problem as a general convex optimization. Furthermore, we develop a non-asymptotic recovery guarantee and quantifiable uncertainty by solving a linear program to establish confidence intervals for a wide range of non-linear monotone link functions. We validate our theoretical results and show the competitive performance of our method via extensive numerical experiments. Most importantly, we demonstrate the effectiveness of our approach in recovering highly interpretable causal DAGs over Sepsis Associated Derangements (SADs) while achieving comparable prediction performance to powerful ``black-box'' models such as XGBoost. Thus, the future adoption of our proposed method to conduct continuous surveillance of high-risk patients by clinicians is much more likely.

Jiajia Yu, Junghwan Lee, Yao Xie et al.

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.

Chen Xu, Hanyang Jiang, Yao Xie · gatech

Conformal prediction (CP) has been a popular method for uncertainty quantification because it is distribution-free, model-agnostic, and theoretically sound. For forecasting problems in supervised learning, most CP methods focus on building prediction intervals for univariate responses. In this work, we develop a sequential CP method called $\texttt{MultiDimSPCI}$ that builds prediction $\textit{regions}$ for a multivariate response, especially in the context of multivariate time series, which are not exchangeable. Theoretically, we estimate $\textit{finite-sample}$ high-probability bounds on the conditional coverage gap. Empirically, we demonstrate that $\texttt{MultiDimSPCI}$ maintains valid coverage on a wide range of multivariate time series while producing smaller prediction regions than CP and non-CP baselines.

Yao Xie, Xiuyuan Cheng

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.

Hanyang Jiang, Yao Xie

Reliable uncertainty quantification at unobserved spatial locations, especially in the presence of complex and heterogeneous datasets, remains a core challenge in spatial statistics. Traditional approaches like Kriging rely heavily on assumptions such as normality, which often break down in large-scale, diverse datasets, leading to unreliable prediction intervals. While machine learning methods have emerged as powerful alternatives, they primarily focus on point predictions and provide limited mechanisms for uncertainty quantification. Conformal prediction, a distribution-free framework, offers valid prediction intervals without relying on parametric assumptions. However, existing conformal prediction methods are either not tailored for spatial settings, or existing ones for spatial data have relied on rather restrictive i.i.d. assumptions. In this paper, we propose Localized Spatial Conformal Prediction (LSCP), a conformal prediction method designed specifically for spatial data. LSCP leverages localized quantile regression to construct prediction intervals. Instead of i.i.d. assumptions, our theoretical analysis builds on weaker conditions of stationarity and spatial mixing, which is natural for spatial data, providing finite-sample bounds on the conditional coverage gap and establishing asymptotic guarantees for conditional coverage. We present experiments on both synthetic and real-world datasets to demonstrate that LSCP achieves accurate coverage with significantly tighter and more consistent prediction intervals across the spatial domain compared to existing methods.

Jie Wang, March Boedihardjo, Yao Xie

Optimal transport has been very successful for various machine learning tasks; however, it is known to suffer from the curse of dimensionality. Hence, dimensionality reduction is desirable when applied to high-dimensional data with low-dimensional structures. The kernel max-sliced (KMS) Wasserstein distance is developed for this purpose by finding an optimal nonlinear mapping that reduces data into $1$ dimension before computing the Wasserstein distance. However, its theoretical properties have not yet been fully developed. In this paper, we provide sharp finite-sample guarantees under milder technical assumptions compared with state-of-the-art for the KMS $p$-Wasserstein distance between two empirical distributions with $n$ samples for general $p\in[1,\infty)$. Algorithm-wise, we show that computing the KMS $2$-Wasserstein distance is NP-hard, and then we further propose a semidefinite relaxation (SDR) formulation (which can be solved efficiently in polynomial time) and provide a relaxation gap for the obtained solution. We provide numerical examples to demonstrate the good performance of our scheme for high-dimensional two-sample testing.

Jeffrey Smith, Andre Holder, Rishikesan Kamaleswaran et al.

With the growing prevalence of machine learning and artificial intelligence-based medical decision support systems, it is equally important to ensure that these systems provide patient outcomes in a fair and equitable fashion. This paper presents an innovative framework for detecting areas of algorithmic bias in medical-AI decision support systems. Our approach efficiently identifies potential biases in medical-AI models, specifically in the context of sepsis prediction, by employing the Classification and Regression Trees (CART) algorithm with conformity scores. We verify our methodology by conducting a series of synthetic data experiments, showcasing its ability to estimate areas of bias in controlled settings precisely. The effectiveness of the concept is further validated by experiments using electronic medical records from Grady Memorial Hospital in Atlanta, Georgia. These tests demonstrate the practical implementation of our strategy in a clinical environment, where it can function as a vital instrument for guaranteeing fairness and equity in AI-based medical decisions.

Yunqin Zhu, Henry Shaowu Yuchi, Yao Xie

Kernels are key to encoding prior beliefs and data structures in Gaussian process (GP) models. The design of expressive and scalable kernels has garnered significant research attention. Deep kernel learning enhances kernel flexibility by feeding inputs through a neural network before applying a standard parametric form. However, this approach remains limited by the choice of base kernels, inherits high inference costs, and often demands sparse approximations. Drawing on Mercer's theorem, we introduce a fully data-driven, scalable deep kernel representation where a neural network directly represents a low-rank kernel through a small set of basis functions. This construction enables highly efficient exact GP inference in linear time and memory without invoking inducing points. It also supports scalable mini-batch training based on a principled variational inference framework. We further propose a simple variance correction procedure to guard against overconfidence in uncertainty estimates. Experiments on synthetic and real-world data demonstrate the advantages of our deep kernel GP in terms of predictive accuracy, uncertainty quantification, and computational efficiency.

Hanyang Jiang, Yao Xie, Feng Qiu

In recent years, increasingly unpredictable and severe global weather patterns have frequently caused long-lasting power outages. Building resilience, the ability to withstand, adapt to, and recover from major disruptions, has become crucial for the power industry. To enable rapid recovery, accurately predicting future outage numbers is essential. Rather than relying on simple point estimates, we analyze extensive quarter-hourly outage data and develop a graph conformal prediction method that delivers accurate prediction regions for outage numbers across the states for a time period. We demonstrate the effectiveness of this method through extensive numerical experiments in several states affected by extreme weather events that led to widespread outages.

Hanyang Jiang, Elizabeth Belding, Ellen Zegure et al.

In this paper, we address the problem of uncertainty quantification for cellular network speed. It is a well-known fact that the actual internet speed experienced by a mobile phone can fluctuate significantly, even when remaining in a single location. This high degree of variability underscores that mere point estimation of network speed is insufficient. Rather, it is advantageous to establish a prediction interval that can encompass the expected range of speed variations. In order to build an accurate network estimation map, numerous mobile data need to be collected at different locations. Currently, public datasets rely on users to upload data through apps. Although massive data has been collected, the datasets suffer from significant noise due to the nature of cellular networks and various other factors. Additionally, the uneven distribution of population density affects the spatial consistency of data collection, leading to substantial uncertainty in the network quality maps derived from this data. We focus our analysis on large-scale internet-quality datasets provided by Ookla to construct an estimated map of connection quality. To improve the reliability of this map, we introduce a novel conformal prediction technique to build an uncertainty map. We identify regions with heightened uncertainty to prioritize targeted, manual data collection. In addition, the uncertainty map quantifies how reliable the prediction is in different areas. Our method also leads to a sampling strategy that guides researchers to selectively gather high-quality data that best complement the current dataset to improve the overall accuracy of the prediction model.

Chen Xu, Xiuyuan Cheng, Yao Xie

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.

Song Wei, Hanyu Zhang, Ronald Moore et al.

We present a Transfer Causal Learning (TCL) framework when target and source domains share the same covariate/feature spaces, aiming to improve causal effect estimation accuracy in limited data. Limited data is very common in medical applications, where some rare medical conditions, such as sepsis, are of interest. Our proposed method, named \texttt{$\ell_1$-TCL}, incorporates $\ell_1$ regularized TL for nuisance models (e.g., propensity score model); the TL estimator of the nuisance parameters is plugged into downstream average causal/treatment effect estimators (e.g., inverse probability weighted estimator). We establish non-asymptotic recovery guarantees for the \texttt{$\ell_1$-TCL} with generalized linear model (GLM) under the sparsity assumption in the high-dimensional setting, and demonstrate the empirical benefits of \texttt{$\ell_1$-TCL} through extensive numerical simulation for GLM and recent neural network nuisance models. Our method is subsequently extended to real data and generates meaningful insights consistent with medical literature, a case where all baseline methods fail.

Chen Xu, Xiuyuan Cheng, Yao Xie

We propose an alternative approach to neural network training using the monotone vector field, an idea inspired by the seminal work of Juditsky and Nemirovski [Juditsky & Nemirovsky, 2019] developed originally to solve parameter estimation problems for generalized linear models (GLM) by reducing the original non-convex problem to a convex problem of solving a monotone variational inequality (VI). Our approach leads to computationally efficient procedures that converge fast and offer guarantee in some special cases, such as training a single-layer neural network or fine-tuning the last layer of the pre-trained model. Our approach can be used for more efficient fine-tuning of a pre-trained model while freezing the bottom layers, an essential step for deploying many machine learning models such as large language models (LLM). We demonstrate its applicability in training fully-connected (FC) neural networks, graph neural networks (GNN), and convolutional neural networks (CNN) and show the competitive or better performance of our approach compared to stochastic gradient descent methods on both synthetic and real network data prediction tasks regarding various performance metrics.

Jie Wang, Yao Xie

Hypothesis testing for small-sample scenarios is a practically important problem. In this paper, we investigate the robust hypothesis testing problem in a data-driven manner, where we seek the worst-case detector over distributional uncertainty sets centered around the empirical distribution from samples using Sinkhorn distance. Compared with the Wasserstein robust test, the corresponding least favorable distributions are supported beyond the training samples, which provides a more flexible detector. Various numerical experiments are conducted on both synthetic and real datasets to validate the competitive performances of our proposed method.

Jonathan Zhou, Sarah Huestis-Mitchell, Xiuyuan Cheng et al.

We present a method to capture groupings of similar calls and determine their relative spatial distribution from a collection of crime record narratives. We first obtain a topic distribution for each narrative, and then propose a nearest neighbors relative density estimation (kNN-RDE) approach to obtain spatial relative densities per topic. Experiments over a large corpus ($n=475,019$) of narrative documents from the Atlanta Police Department demonstrate the viability of our method in capturing geographic hot-spot trends which call dispatchers do not initially pick up on and which go unnoticed due to conflation with elevated event density in general.

Nauman Ahad, Eva L. Dyer, Keith B. Hengen et al.

Many modern applications require detecting change points in complex sequential data. Most existing methods for change point detection are unsupervised and, as a consequence, lack any information regarding what kind of changes we want to detect or if some kinds of changes are safe to ignore. This often results in poor change detection performance. We present a novel change point detection framework that uses true change point instances as supervision for learning a ground metric such that Sinkhorn divergences can be then used in two-sample tests on sliding windows to detect change points in an online manner. Our method can be used to learn a sparse metric which can be useful for both feature selection and interpretation in high-dimensional change point detection settings. Experiments on simulated as well as real world sequences show that our proposed method can substantially improve change point detection performance over existing unsupervised change point detection methods using only few labeled change point instances.

Song Wei, Yao Xie, Christopher S. Josef et al.

We present a generalized linear structural causal model, coupled with a novel data-adaptive linear regularization, to recover causal directed acyclic graphs (DAGs) from time series. By leveraging a recently developed stochastic monotone Variational Inequality (VI) formulation, we cast the causal discovery problem as a general convex optimization. Furthermore, we develop a non-asymptotic recovery guarantee and quantifiable uncertainty by solving a linear program to establish confidence intervals for a wide range of non-linear monotone link functions. We validate our theoretical results and show the competitive performance of our method via extensive numerical experiments. Most importantly, we demonstrate the effectiveness of our approach in recovering highly interpretable causal DAGs over Sepsis Associated Derangements (SADs) while achieving comparable prediction performance to powerful ``black-box'' models such as XGBoost. Thus, the future adoption of our proposed method to conduct continuous surveillance of high-risk patients by clinicians is much more likely.

Xiuyuan Cheng, Yao Xie

We present a study of a kernel-based two-sample test statistic related to the Maximum Mean Discrepancy (MMD) in the manifold data setting, assuming that high-dimensional observations are close to a low-dimensional manifold. We characterize the test level and power in relation to the kernel bandwidth, the number of samples, and the intrinsic dimensionality of the manifold. Specifically, when data densities $p$ and $q$ are supported on a $d$-dimensional sub-manifold ${M}$ embedded in an $m$-dimensional space and are Hölder with order $β$ (up to 2) on ${M}$, we prove a guarantee of the test power for finite sample size $n$ that exceeds a threshold depending on $d$, $β$, and $Δ_2$ the squared $L^2$-divergence between $p$ and $q$ on the manifold, and with a properly chosen kernel bandwidth $γ$. For small density departures, we show that with large $n$ they can be detected by the kernel test when $Δ_2$ is greater than $n^{- { 2 β/( d + 4 β) }}$ up to a certain constant and $γ$ scales as $n^{-1/(d+4β)}$. The analysis extends to cases where the manifold has a boundary and the data samples contain high-dimensional additive noise. Our results indicate that the kernel two-sample test has no curse-of-dimensionality when the data lie on or near a low-dimensional manifold. We validate our theory and the properties of the kernel test for manifold data through a series of numerical experiments.

Shixiang Zhu, He Wang, Yao Xie

We present a data-driven optimization framework for redesigning police patrol zones in an urban environment. The objectives are to rebalance police workload among geographical areas and to reduce response time to emergency calls. We develop a stochastic model for police emergency response by integrating multiple data sources, including police incidents reports, demographic surveys, and traffic data. Using this stochastic model, we optimize zone redesign plans using mixed-integer linear programming. Our proposed design was implemented by the Atlanta Police Department in March 2019. By analyzing data before and after the zone redesign, we show that the new design has reduced the response time to high priority 911 calls by 5.8\% and the imbalance of police workload among different zones by 43\%.

Minghe Zhang, Chen Xu, Andy Sun et al.

Modeling and predicting solar events, particularly the solar ramping event, is critical for improving situational awareness for solar power generation systems. It has been acknowledged that weather conditions such as temperature, humidity, and cloud density can significantly impact the emergence and position of solar ramping events. As a result, modeling these events with complex spatio-temporal correlations is highly challenging. To tackle the question, we adopt a novel spatio-temporal categorical point process model, which intuitively and effectively addresses correlation and interaction among ramping events. We demonstrate the interpretability and predictive power of our model on extensive real-data experiments.

Chen Xu, Yao Xie

We develop a general framework for constructing distribution-free prediction intervals for time series. Theoretically, we establish explicit bounds on conditional and marginal coverage gaps of estimated prediction intervals, which asymptotically converge to zero under additional assumptions. We obtain similar bounds on the size of set differences between oracle and estimated prediction intervals. Methodologically, we introduce a computationally efficient algorithm called \texttt{EnbPI} that wraps around ensemble predictors, which is closely related to conformal prediction (CP) but does not require data exchangeability. \texttt{EnbPI} avoids data-splitting and is computationally efficient by avoiding retraining and thus scalable to sequentially producing prediction intervals. We perform extensive simulation and real-data analyses to demonstrate its effectiveness compared with existing methods. We also discuss the extension of \texttt{EnbPI} on various other applications.

Minghe Zhang, Liyan Xie, Yao Xie

Detecting abrupt changes in the community structure of a network from noisy observations is a fundamental problem in statistics and machine learning. This paper presents an online change detection algorithm called Spectral-CUSUM to detect unknown network structure changes through a generalized likelihood ratio statistic. We characterize the average run length (ARL) and the expected detection delay (EDD) of the Spectral-CUSUM procedure and prove its asymptotic optimality. Finally, we demonstrate the good performance of the Spectral-CUSUM procedure and compare it with several baseline methods using simulations and real data examples on seismic event detection using sensor network data.