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In this work we study systems consisting of a group of moving particles. In such systems, often some important parameters are unknown and have to be estimated from observed data. Such parameter estimation problems can often be solved via a Bayesian inference framework. However in many practical problems, only data at the aggregate level is available and as a result the likelihood function is not available, which poses challenge for Bayesian methods. In particular, we consider the situation where the distributions of the particles are observed. We propose a Wasserstein distance based sequential Monte Carlo sampler to solve the problem: the Wasserstein distance is used to measure the similarity between the observed and the simulated particle distributions and the sequential Monte Carlo samplers is used to deal with the sequentially available observations. Two real-world examples are provided to demonstrate the performance of the proposed method.

The Markov property is widely imposed in analysis of time series data. Correspondingly, testing the Markov property, and relatedly, inferring the order of a Markov model, are of paramount importance. In this article, we propose a nonparametric test for the Markov property in high-dimensional time series via deep conditional generative learning. We also apply the test sequentially to determine the order of the Markov model. We show that the test controls the type-I error asymptotically, and has the power approaching one. Our proposal makes novel contributions in several ways. We utilize and extend state-of-the-art deep generative learning to estimate the conditional density functions, and establish a sharp upper bound on the approximation error of the estimators. We derive a doubly robust test statistic, which employs a nonparametric estimation but achieves a parametric convergence rate. We further adopt sample splitting and cross-fitting to minimize the conditions required to ensure the consistency of the test. We demonstrate the efficacy of the test through both simulations and the three data applications.

Normalizing flows are powerful non-parametric statistical models that function as a hybrid between density estimators and generative models. Current learning algorithms for normalizing flows assume that data points are sampled independently, an assumption that is frequently violated in practice, which may lead to erroneous density estimation and data generation. We propose a likelihood objective of normalizing flows incorporating dependencies between the data points, for which we derive a flexible and efficient learning algorithm suitable for different dependency structures. We show that respecting dependencies between observations can improve empirical results on both synthetic and real-world data, and leads to higher statistical power in a downstream application to genome-wide association studies.

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.

Solving partial differential equations (PDEs) is a central task in scientific computing. Recently, neural network approximation of PDEs has received increasing attention due to its flexible meshless discretization and its potential for high-dimensional problems. One fundamental numerical difficulty is that random samples in the training set introduce statistical errors into the discretization of loss functional which may become the dominant error in the final approximation, and therefore overshadow the modeling capability of the neural network. In this work, we propose a new minmax formulation to optimize simultaneously the approximate solution, given by a neural network model, and the random samples in the training set, provided by a deep generative model. The key idea is to use a deep generative model to adjust random samples in the training set such that the residual induced by the approximate PDE solution can maintain a smooth profile when it is being minimized. Such an idea is achieved by implicitly embedding the Wasserstein distance between the residual-induced distribution and the uniform distribution into the loss, which is then minimized together with the residual. A nearly uniform residual profile means that its variance is small for any normalized weight function such that the Monte Carlo approximation error of the loss functional is reduced significantly for a certain sample size. The adversarial adaptive sampling (AAS) approach proposed in this work is the first attempt to formulate two essential components, minimizing the residual and seeking the optimal training set, into one minmax objective functional for the neural network approximation of PDEs.

We have developed a statistical inference method applicable to a broad range of generalized linear models (GLMs) in high-dimensional settings, where the number of unknown coefficients scales proportionally with the sample size. Although a pioneering method has been developed for logistic regression, which is a specific instance of GLMs, its direct applicability to other GLMs remains limited. In this study, we address this limitation by developing a new inference method designed for a class of GLMs with asymmetric link functions. More precisely, we first introduce a novel convex loss-based estimator and its associated system, which are essential components for the inference. We next devise a methodology for identifying parameters of the system required within the method. Consequently, we construct confidence intervals for GLMs in the high-dimensional regime. We prove that our proposal has desirable theoretical properties, such as strong consistency and exact coverage probability. Finally, we confirm the validity in experiments.

It is well known that Empirical Risk Minimization (ERM) with squared loss may attain minimax suboptimal error rates (Birg\'e and Massart, 1993). The key message of this paper is that, under mild assumptions, the suboptimality of ERM must be due to large bias rather than variance. More precisely, in the bias-variance decomposition of the squared error of the ERM, the variance term necessarily enjoys the minimax rate. In the case of fixed design, we provide an elementary proof of this fact using the probabilistic method. Then, we prove this result for various models in the random design setting. In addition, we provide a simple proof of Chatterjee's admissibility theorem (Chatterjee, 2014, Theorem 1.4), which states that ERM cannot be ruled out as an optimal method, in the fixed design setting, and extend this result to the random design setting. We also show that our estimates imply stability of ERM, complementing the main result of Caponnetto and Rakhlin (2006) for non-Donsker classes. Finally, we show that for non-Donsker classes, there are functions close to the ERM, yet far from being almost-minimizers of the empirical loss, highlighting the somewhat irregular nature of the loss landscape.

Interactions between road agents present a significant challenge in trajectory prediction, especially in cases involving multiple agents. Because existing diversity-aware predictors do not account for the interactive nature of multi-agent predictions, they may miss these important interaction outcomes. In this paper, we propose GAME-UP, a framework for trajectory prediction that leverages game-theoretic inverse reinforcement learning to improve coverage of multi-modal predictions. We use a training-time game-theoretic numerical analysis as an auxiliary loss resulting in improved coverage and accuracy without presuming a taxonomy of actions for the agents. We demonstrate our approach on the interactive subset of Waymo Open Motion Dataset, including three subsets involving scenarios with high interaction complexity. Experiment results show that our predictor produces accurate predictions while covering twice as many possible interactions versus a baseline model.

Generative data augmentation, which scales datasets by obtaining fake labeled examples from a trained conditional generative model, boosts classification performance in various learning tasks including (semi-)supervised learning, few-shot learning, and adversarially robust learning. However, little work has theoretically investigated the effect of generative data augmentation. To fill this gap, we establish a general stability bound in this not independently and identically distributed (non-i.i.d.) setting, where the learned distribution is dependent on the original train set and generally not the same as the true distribution. Our theoretical result includes the divergence between the learned distribution and the true distribution. It shows that generative data augmentation can enjoy a faster learning rate when the order of divergence term is $o(\max\left( \log(m)\beta_m, 1 / \sqrt{m})\right)$, where $m$ is the train set size and $\beta_m$ is the corresponding stability constant. We further specify the learning setup to the Gaussian mixture model and generative adversarial nets. We prove that in both cases, though generative data augmentation does not enjoy a faster learning rate, it can improve the learning guarantees at a constant level when the train set is small, which is significant when the awful overfitting occurs. Simulation results on the Gaussian mixture model and empirical results on generative adversarial nets support our theoretical conclusions. Our code is available at //github.com/ML-GSAI/Understanding-GDA.

We introduce Lagrangian Flow Networks (LFlows) for modeling fluid densities and velocities continuously in space and time. The proposed LFlows satisfy by construction the continuity equation, a PDE describing mass conservation in its differentiable form. Our model is based on the insight that solutions to the continuity equation can be expressed as time-dependent density transformations via differentiable and invertible maps. This follows from classical theory of existence and uniqueness of Lagrangian flows for smooth vector fields. Hence, we model fluid densities by transforming a base density with parameterized diffeomorphisms conditioned on time. The key benefit compared to methods relying on Neural-ODE or PINNs is that the analytic expression of the velocity is always consistent with the density. Furthermore, there is no need for expensive numerical solvers, nor for enforcing the PDE with penalty methods. Lagrangian Flow Networks show improved predictive accuracy on synthetic density modeling tasks compared to competing models in both 2D and 3D. We conclude with a real-world application of modeling bird migration based on sparse weather radar measurements.