Local Flow Matching Generative Models

Flow Matching (FM) is a simulation-free method for learning a continuous and invertible flow to interpolate between two distributions, and in particular to generate data from noise in generative modeling. In this paper, we introduce Local Flow Matching (LFM), which learns a sequence of FM sub-models and each matches a diffusion process up to the time of the step size in the data-to-noise direction. In each step, the two distributions to be interpolated by the sub-model are closer to each other than data vs. noise, and this enables the use of smaller models with faster training. The stepwise structure of LFM is natural to be distilled and different distillation techniques can be adopted to speed up generation. Theoretically, we prove a generation guarantee of the proposed flow model in terms of the $\chi^2$-divergence between the generated and true data distributions. In experiments, we demonstrate the improved training efficiency and competitive generative performance of LFM compared to FM on the unconditional generation of tabular data and image datasets, and also on the conditional generation of robotic manipulation policies.

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.

Annealing Flow Generative Model Towards Sampling High-Dimensional and Multi-Modal Distributions

Sampling from high-dimensional, multi-modal distributions remains a fundamental challenge across domains such as statistical Bayesian inference and physics-based machine learning. In this paper, we propose Annealing Flow (AF), a continuous normalizing flow-based approach designed to sample from high-dimensional and multi-modal distributions. The key idea is to learn a continuous normalizing flow-based transport map, guided by annealing, to transition samples from an easy-to-sample distribution to the target distribution, facilitating effective exploration of modes in high-dimensional spaces. Unlike many existing methods, AF training does not rely on samples from the target distribution. AF ensures effective and balanced mode exploration, achieves linear complexity in sample size and dimensions, and circumvents inefficient mixing times. We demonstrate the superior performance of AF compared to state-of-the-art methods through extensive experiments on various challenging distributions and real-world datasets, particularly in high-dimensional and multi-modal settings. We also highlight the potential of AF for sampling the least favorable distributions.

Regularization for Adversarial Robust Learning

Despite the growing prevalence of artificial neural networks in real-world applications, their vulnerability to adversarial attacks remains a significant concern, which motivates us to investigate the robustness of machine learning models. While various heuristics aim to optimize the distributionally robust risk using the $\infty$-Wasserstein metric, such a notion of robustness frequently encounters computation intractability. To tackle the computational challenge, we develop a novel approach to adversarial training that integrates $\phi$-divergence regularization into the distributionally robust risk function. This regularization brings a notable improvement in computation compared with the original formulation. We develop stochastic gradient methods with biased oracles to solve this problem efficiently, achieving the near-optimal sample complexity. Moreover, we establish its regularization effects and demonstrate it is asymptotic equivalence to a regularized empirical risk minimization framework, by considering various scaling regimes of the regularization parameter and robustness level. These regimes yield gradient norm regularization, variance regularization, or a smoothed gradient norm regularization that interpolates between these extremes. We numerically validate our proposed method in supervised learning, reinforcement learning, and contextual learning and showcase its state-of-the-art performance against various adversarial attacks.

Nonlinear time-series embedding by monotone variational inequality

In the wild, we often encounter collections of sequential data such as electrocardiograms, motion capture, genomes, and natural language, and sequences may be multichannel or symbolic with nonlinear dynamics. We introduce a new method to learn low-dimensional representations of nonlinear time series without supervision and can have provable recovery guarantees. The learned representation can be used for downstream machine-learning tasks such as clustering and classification. The method is based on the assumption that the observed sequences arise from a common domain, but each sequence obeys its own autoregressive models that are related to each other through low-rank regularization. We cast the problem as a computationally efficient convex matrix parameter recovery problem using monotone Variational Inequality and encode the common domain assumption via low-rank constraint across the learned representations, which can learn the geometry for the entire domain as well as faithful representations for the dynamics of each individual sequence using the domain information in totality. We show the competitive performance of our method on real-world time-series data with the baselines and demonstrate its effectiveness for symbolic text modeling and RNA sequence clustering.

Transformer Conformal Prediction for Time Series

We present a conformal prediction method for time series using the Transformer architecture to capture long-memory and long-range dependencies. Specifically, we use the Transformer decoder as a conditional quantile estimator to predict the quantiles of prediction residuals, which are used to estimate the prediction interval. We hypothesize that the Transformer decoder benefits the estimation of the prediction interval by learning temporal dependencies across past prediction residuals. Our comprehensive experiments using simulated and real data empirically demonstrate the superiority of the proposed method compared to the existing state-of-the-art conformal prediction methods.

Kernel-based optimally weighted conformal prediction intervals

Conformal prediction has been a popular distribution-free framework for uncertainty quantification. In this paper, we present a novel conformal prediction method for time-series, which we call Kernel-based Optimally Weighted Conformal Prediction Intervals (KOWCPI). Specifically, KOWCPI adapts the classic Reweighted Nadaraya-Watson (RNW) estimator for quantile regression on dependent data and learns optimal data-adaptive weights. Theoretically, we tackle the challenge of establishing a conditional coverage guarantee for non-exchangeable data under strong mixing conditions on the non-conformity scores. We demonstrate the superior performance of KOWCPI on real time-series against state-of-the-art methods, where KOWCPI achieves narrower confidence intervals without losing coverage.

Non-Convex Robust Hypothesis Testing using Sinkhorn Uncertainty Sets

We present a new framework to address the non-convex robust hypothesis testing problem, wherein the goal is to seek the optimal detector that minimizes the maximum of worst-case type-I and type-II risk functions. The distributional uncertainty sets are constructed to center around the empirical distribution derived from samples based on Sinkhorn discrepancy. Given that the objective involves non-convex, non-smooth probabilistic functions that are often intractable to optimize, existing methods resort to approximations rather than exact solutions. To tackle the challenge, we introduce an exact mixed-integer exponential conic reformulation of the problem, which can be solved into a global optimum with a moderate amount of input data. Subsequently, we propose a convex approximation, demonstrating its superiority over current state-of-the-art methodologies in literature. Furthermore, we establish connections between robust hypothesis testing and regularized formulations of non-robust risk functions, offering insightful interpretations. Our numerical study highlights the satisfactory testing performance and computational efficiency of the proposed framework.

Conformal prediction for multi-dimensional time series by ellipsoidal sets

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 regions for a multivariate response, especially in the context of multivariate time series, which are not exchangeable. Theoretically, we estimate 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.

Detecting algorithmic bias in medical AI-models

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. 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.