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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.


An Efficient Spatial Branch-and-Bound Algorithm for Global Optimization of Gaussian Process Posterior Mean Functions

arXiv.org Machine Learning

We study the deterministic global optimization of trained Gaussian process posterior mean functions over hyperrectangular domains. Although the posterior mean function has a compact closed-form representation, its global optimization is challenging because it remains nonlinear and nonconvex. Existing exact deterministic approaches become increasingly difficult to scale as the number of training data points grows, leading to approximation-based methods that improve tractability by optimizing a modified (inexact) objective. In this work, we propose PALM-Mean, a piecewise-analytic lower-bounding framework embedded in reduced-space spatial branch-and-bound. At each node, kernel terms that are locally important are replaced by a sign-aware piecewise-linear relaxation in an appropriate scalar distance variable, while the remaining terms are bounded analytically in closed form. We show this hybrid approach yields a valid lower bound for the posterior mean, while limiting the size of the branch-and-bound subproblems. We establish validity of the node lower bounds and $\varepsilon$-global convergence of the resulting algorithm. Computational results on synthetic benchmarks and real-world application problems show that PALM-Mean improves scalability relative to representative general-purpose deterministic global solvers, particularly as the number of training data points increases.


Robust volatility updates for Hierarchical Gaussian Filtering

arXiv.org Machine Learning

Hierarchical Gaussian Filtering (HGF) networks allow for efficient updating of posterior distributions (beliefs) about hidden states of an agent's environment. HGF parent nodes can target the mean or variance of their children. New information entering at input nodes leads to a cascade of belief updates across the network according to one-step update equations for each node's mean and precision (inverse variance). However, the original form of the update equations for variance-targeting parents(volatility coupling) can in some regions of parameter space lead to negative posterior precision, a logical impossibility which causes the updating algorithm to terminate with an error. In this report, we introduce a modified quadratic approximation to the variational energy of volatility-coupled nodes that avoids negative posterior precision. The key idea is to interpolate between two quadratic expansions of the variational energy: one at the prior prediction and one at a second mode whose location is obtained in closed form via the Lambert W function. The resulting update equations are robust across the entire parameter space and faithfully track the variational posterior even for large prediction errors.


Self-Normalized Martingales and Uniform Regret Bounds for Linear Regression

arXiv.org Machine Learning

Self-normalized martingale inequalities lie at the heart of confidence ellipsoids for online least squares and, more broadly, many bandit and reinforcement-learning results. Yet existing vector and scalar results typically rely on bounded covariates and an explicit regularization matrix, producing bounds that are \emph{not scale-invariant}: although the self-normalized quantity is scale-invariant by definition, its standard upper bounds are not. We characterize when scale-invariant upper bounds on self-normalized martingales are possible. Without further assumptions, we prove that nontrivial scale-invariant bounds exist only in dimension $d=1$; moreover, in $d=1$ we obtain $O(\log T)$ scale-invariant self-normalized bounds without any assumptions on the covariates. In contrast, for $d>1$ we show that no nontrivial scale-invariant bound can hold in full generality. We then connect this dichotomy to \emph{doubly-uniform} regret in online linear regression (i.e., regret bounds that are simultaneously independent of the covariate scale and the comparator norm) and use it to resolve the open question of Gaillard, Gerchinovitz, Huard, and Stoltz, \emph{``Uniform regret bounds over $\mathbb{R}^d$ for the sequential linear regression problem with the square loss''} (ALT 2019): in $d=1$ we give an explicit algorithm with $O(\log T)$ doubly-uniform regret, whereas for $d>1$ sublinear doubly-uniform regret is impossible. Finally, under a natural \emph{smoothness} condition (bounded Radon--Nikodym derivatives of the conditional covariate laws with respect to a fixed base measure), we recover sublinear regret for $d>1$ without bounded covariates and derive a self-normalized concentration inequality free of the usual regularization penalties, yielding arguably a first natural scale-invariant bound for adaptive, non-i.i.d. vector martingales.


Stable Blanket with Hidden Variables and Cycles

arXiv.org Machine Learning

Stabilized regression aims to identify a set of predictors whose conditional relationship with a response variable remains invariant across different environments. Existing graphical characterizations of the stable blanket are mainly developed for structural causal models (SCMs) without hidden variables or causal cycles. However, latent variables and feedback relationships naturally arise in many applications, and they can change both the Markov blanket and the set of predictors that remain stable under interventions. This paper studies stable blankets in graphical causal models with hidden variables, causal cycles, and both features simultaneously. For models with hidden variables, we use acyclic directed mixed graphs (ADMGs) and $m$-separation to characterize the Markov blanket and to construct intervention-stable predictor sets. We introduce the notion of an intervened sub-district and use it to describe how interventions may affect districts connected to the response. For models with cycles, we work with directed graphs (DGs) and directed mixed graphs (DMGs) together with $ฯƒ$-separation, treating strongly connected components (SCCs) as the basic graphical units. We then combine these ideas to analyze models with both hidden variables and cycles. The main results give graphical characterizations of Markov blankets, stable frontiers, and stable blankets in these generalized settings. In particular, we identify conditions under which the response is conditionally independent of intervention variables given a suitable predictor set, and we describe when such sets are minimal or unique. These results extend the graphical interpretation of stabilized regression beyond acyclic fully observed models.


Extrapolation in Statistical Learning with Extreme Value Theory

arXiv.org Machine Learning

Extreme value theory provides rigorous theory and statistical tools for extrapolation in machine learning, particularly in settings where traditional methods struggle due to data scarcity in the tails. A broad range of tasks benefit from these advances, including regression and classification beyond the training data, extreme quantile regression, supervised and unsupervised dimension reduction, generative artificial intelligence and anomaly detection. This review synthesizes recent developments in these fields at the intersection of statistical learning and extreme value theory, with a focus on principled methods based on asymptotically motivated representations of the tail of univariate and multivariate distributions. We consider different theoretical frameworks for both asymptotically dependent and independent data and discuss how they translate into efficient statistical methods for extrapolation to extreme regions. By addressing both theoretical and practical aspects, we offer a comprehensive overview of the state-of-the-art in this quickly evolving field, and identify promising directions for future research.


Large margin classifier with graph-based adaptive regularization

arXiv.org Machine Learning

This paper introduces the use of per-class regularization hyperparameters in Gabriel graph-based binary classifiers. We demonstrate how the quality index used for regularization behaves both in the margin region and in the presence of outliers, and how incorporating this regularization flexibility can lead to solutions that effectively eliminate outliers while training the classifier. We also show how it can address class imbalance by generating higher and lower thresholds for the majority and minority classes, respectively. Thus, rather than having a single solution based on fixed thresholds, flexible thresholds expand the solution space and can be optimized through hyperparameter tuning algorithms. Friedman test shows that flexible thresholds are capable of improving Gabriel graph-based classifiers.


Middle-mile logistics through the lens of goal-conditioned reinforcement learning

arXiv.org Machine Learning

Middle-mile logistics describes the problem of routing parcels through a network of hubs, which are linked by a fixed set of trucks. The main challenge comes from the finite capacity of the trucks. The decision to allocate a parcel to a specific truck might block another parcel from using the same truck. It is thus necessary to solve for all parcel routes simultaneously. Exact solution methods scale poorly with the problem size and real-world instances are intractable.


Black-box optimization of noisy functions with unknown smoothness

arXiv.org Machine Learning

We study the problem of black-box optimization of a function f of any dimension, given function evaluations perturbed by noise. The function is assumed to be locally smooth around one of its global optima, but this smoothness is unknown. Our contribution is an adaptive optimization algorithm, POO or parallel optimistic optimization, that is able to deal with this setting. POO performs almost as well as the best known algorithms requiring the knowledge of the smoothness. Furthermore, POO works for a larger class of functions than what was previously considered, especially for functions that are difficult to optimize, in a very precise sense. We provide a finite-time analysis of POO's performance, which shows that its error after n evaluations is at most a factor of sqrt(ln n) away from the error of the best known optimization algorithms using the knowledge of the smoothness.


Online Generalised Predictive Coding

arXiv.org Machine Learning

Despite being confined within the interior darkness of the skull, the human brain possesses a remarkable ability to interpret, understand and analyse the world out there, plan for unseen futures, and make decisions that can alter the course of events. This extraordinary capability is conjectured to come from the brain's function as a predictive machine, constantly inferring the hidden causes of its sensory inputs to maintain a coherent model of its environment. This view, which dates back to Helmholtz's idea of "perception as unconscious inference" (von Helmholtz, 1866)--evolving into the "Bayesian brain" hypothesis (Doya et al., 2007)--suggests that the brain operates as a constructive statistical organ. It updates its beliefs about the external world based on incoming sensory data under a generative model (GM). The GM furnishes the brain with a structured representation that supports probabilistic beliefs over both the latent dynamical states of the external world, corresponding to the generative process (GP), as well as the observation mappings through which these states give rise to sensory signals. Essentially, the brain continually refines its probabilistic beliefs about both the latent states and the causal mechanisms of the world through a process of online triple estimation, jointly optimising beliefs over: hidden states, model parameters, and their associated uncertainties in accordance with the principles of Bayesian inference (Eells, 2004; Parr et al., 2022). More technically, given a sensory observation yt at time t, perception can be formulated as an online triple estimation scheme, whose three components are: 1) online hidden state inference, 2) online parameter learning, and 3) online uncertainty estimation, all three of which are the core components of our proposed online generalised PC scheme and are elaborated in Section.