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Coupling-Informed Transport Maps for Bayesian Filtering in Nonlinear Dynamical Systems

arXiv.org Machine Learning

A likelihood-free transport filtering method is proposed based on the couplings between state and observation variables. By exploiting a block-triangular structure in the transport map, the analysis step of filtering is reformulated as the minimization of the maximum mean discrepancy (MMD) between the true joint measure and its transport-based approximation. To circumvent the non-convexity in the MMD optimization, we introduce a training-free transport filter method via gradient flows, which leads to an analytic computation for the transport map that implies the steepest descent direction of the MMD. The proposed approach accurately approximates non-Gaussian filtering posteriors and avoids particle collapse. We provide a convergence analysis for the expectation of the MMD between the approximated posterior and the truth posterior. Finally, we extend the method to high-dimensional problems through domain localization. Numerical examples demonstrate the superior performance of our approach over conventional filtering methods in nonlinear, non-Gaussian scenarios.


A Continuous-Time Ensemble Kalman-Bucy Smoother for Causal Inference and Model Discovery

arXiv.org Machine Learning

Data assimilation (DA) integrates observational information with model predictions to improve state estimation in complex systems. While filtering provides the basis for online forecasts by using only past and present observations, it can exhibit delays and biases when the underlying dynamics evolve rapidly or undergo regime transitions. Smoothing, which additionally incorporates future observations, provides a natural pipeline for hindcasting and reanalysis that yields an uncertainty reduction beyond the filter. This paper introduces an ensemble Kalman-Bucy smoother (EnKBS) for continuous-time DA of nonlinear dynamical systems, where the smoother's conditional distributions are reconstructed using ensemble moments. The result is a derivative-free framework that does not require explicit computation of tangent-linear or adjoint models, which converges to the exact smoother solution at the infinite-ensemble limit for a wide class of complex systems. Incorporating standard regularization techniques for high-dimensional systems, such as covariance localization and inflation, the skill of the EnKBS is demonstrated in various important scientific problems. By integrating future observations, which reveal the underlying causal mechanisms for retrospective state updates, the EnKBS is used for Bayesian-based inference of causal relationships and their temporal influence range in a dyadic trigger-feedback model and the development of a causality-driven iterative learning algorithm that identifies the structure and recovers the hidden parameters of a nonlinear reduced-order model mimicking midlatitude atmospheric circulation. Notably, both tasks remain effective with an ensemble size of $O(10)$ under partial observations, suggesting that EnKBS can support the instantaneous discovery of high-dimensional complex systems over time.


ASimple Decentralized Cross-Entropy Method

Neural Information Processing Systems

Cross-Entropy Method (CEM) is commonly used for planning in model-based reinforcement learning (MBRL) where a centralized approach is typically utilized to update the sampling distribution based on only the top-k operations' results on samples. In this paper, we show that such a centralized approach makes CEM vulnerable to local optima, thus impairing its sample efficiency. To tackle this issue, we propose Decentralized CEM (DecentCEM), a simple but effective improvement over classical CEM, by using an ensemble of CEM instances running independently from one another, and each performing a local improvement of its own sampling distribution. We provide both theoretical and empirical analysis to demonstrate the effectiveness of this simple decentralized approach. We empirically show that, compared to the classical centralized approach using either a single or even a mixture of Gaussian distributions, our DecentCEM finds the global optimum much more consistently thus improves the sample efficiency. Furthermore, we plug in our DecentCEM in the planning problem of MBRL, and evaluate our approach in several continuous control environments, with comparison to the stateof-art CEM based MBRL approaches (PETS and POPLIN). Results show sample efficiency improvement by simply replacing the classical CEM module with our DecentCEM module, while only sacrificing a reasonable amount of computational cost. Lastly, we conduct ablation studies for more in-depth analysis.




Ensemble-Based Dirichlet Modeling for Predictive Uncertainty and Selective Classification

arXiv.org Machine Learning

Neural network classifiers trained with cross-entropy loss achieve strong predictive accuracy but lack the capability to provide inherent predictive uncertainty estimates, thus requiring external techniques to obtain these estimates. In addition, softmax scores for the true class can vary substantially across independent training runs, which limits the reliability of uncertainty-based decisions in downstream tasks. Evidential Deep Learning aims to address these limitations by producing uncertainty estimates in a single pass, but evidential training is highly sensitive to design choices including loss formulation, prior regularization, and activation functions. Therefore, this work introduces an alternative Dirichlet parameter estimation strategy by applying a method of moments estimator to ensembles of softmax outputs, with an optional maximum-likelihood refinement step. This ensemble-based construction decouples uncertainty estimation from the fragile evidential loss design while also mitigating the variability of single-run cross-entropy training, producing explicit Dirichlet predictive distributions. Across multiple datasets, we show that the improved stability and predictive uncertainty behavior of these ensemble-derived Dirichlet estimates translate into stronger performance in downstream uncertainty-guided applications such as prediction confidence scoring and selective classification.


Closed-form conditional diffusion models for data assimilation

arXiv.org Machine Learning

We propose closed-form conditional diffusion models for data assimilation. Diffusion models use data to learn the score function (defined as the gradient of the log-probability density of a data distribution), allowing them to generate new samples from the data distribution by reversing a noise injection process. While it is common to train neural networks to approximate the score function, we leverage the analytical tractability of the score function to assimilate the states of a system with measurements. To enable the efficient evaluation of the score function, we use kernel density estimation to model the joint distribution of the states and their corresponding measurements. The proposed approach also inherits the capability of conditional diffusion models of operating in black-box settings, i.e., the proposed data assimilation approach can accommodate systems and measurement processes without their explicit knowledge. The ability to accommodate black-box systems combined with the superior capabilities of diffusion models in approximating complex, non-Gaussian probability distributions means that the proposed approach offers advantages over many widely used filtering methods. We evaluate the proposed method on nonlinear data assimilation problems based on the Lorenz-63 and Lorenz-96 systems of moderate dimensionality and nonlinear measurement models. Results show the proposed approach outperforms the widely used ensemble Kalman and particle filters when small to moderate ensemble sizes are used.