Bayesian Additive Regression Trees (BART) have shown state-of-the-art performance in both prediction and causal inference problems. Previous theoretical work has attempted to explain BART's superior performance by establishing posterior contraction rates for standard BART models, but these rates depend strongly on the number of covariates. Here, we take a different approach and study the behavior of BART as the number of trees grows towards infinity. We show that in this regime, BART converges to a Gaussian process (GP) with a particular kernel. The kernel and its corresponding reproducing kernel Hilbert space (RKHS) have favorable inferential properties that help explain BART's excellent performance. We introduce random tree features as an approximation to this limiting GP, and establish minimax-optimal learning rates for ridge regression on these random features that depend only logarithmically on dimension. In addition to providing insight into the empirical success of BART, random tree features offer a computational benefit over traditional MCMC estimation. The random-features approximation also allows practitioners to easily incorporate BART into any model which has a linear predictor, expanding the applicability and flexibility of BART.
Zongren Zou, Théo Bourdais, Ricardo Baptista +1cs.CE cs.LG physics.comp-ph
Digital twin modeling, including control and data assimilation under model uncertainty, often faces an open-ended fidelity problem: adding variables, data streams, and time scales can indefinitely increase model complexity, ultimately producing systems that are difficult to maintain, validate, interpret, and use for stress or safety testing. As an alternative, one can seek parsimonious stochastic surrogate models built only on the variables needed to describe the relevant quantities of interest. We introduce a framework for discovering such variables from observational data by identifying which candidate inputs influence the full conditional law of a target quantity, rather than only its conditional mean. This distinction is essential in stochastic, coarse-grained, or partially observed systems, where dependencies may appear through changes in variability, tail behavior, multimodality, or uncertainty rather than through deterministic functional relationships. The framework couples conditional generative modeling, which learns the conditional distribution of the target given candidate inputs, with Gaussian-process-based analysis of variance (through kernel mode decomposition), which enables iterative pruning of non-influential inputs and interpretable structure discovery. In control settings, the resulting surrogate can be interpreted as a learned Markov decision process: the method identifies not only a transition model, but also the state, action, and memory variables needed to make the learned dynamics effectively Markovian. Across examples involving stochastic dynamical systems, missing variables, PDE control, reinforcement learning, and economic data, the discovered structures yield interpretable stochastic surrogates whose downstream performance is comparable to models trained on the full variable set.
Yilin Zheng, Haowei Wang, Szu Hui Ng +1stat.ML cs.LG
Bayesian optimization (BO) is a widely used approach for black-box optimization that uses a Gaussian process (GP) as a surrogate and guides sequential evaluations via an acquisition function, with the ultimate goal of locating the global optimum $\mathbf{x}^{\star}$. To align with this goal, information-based acquisition functions such as Predictive Entropy Search (PES) model $\mathbf{x}^{\star}$ as a random variable and reduce the entropy of its distribution, but approximating this distribution via traditional GP posterior sampling is computationally expensive. To address this limitation, we leverage Conditional Diffusion Models (CDMs) to efficiently approximate the distribution of $\mathbf{x}^{\star}$ and develop BO-inherent training strategies for CDMs. Motivated by the structural properties of the CDM-learned distribution, we further develop an acquisition strategy termed Diffusion-based Mode Seeking (DMS) to guide the sequential evaluation. We establish a sub-optimality guarantee for the CDM-learned distribution and demonstrate through extensive experiments that DMS outperforms standard BO baselines.
Vessel trajectory prediction from Automatic Identification System (AIS) data is essential for maritime situational awareness, yet it remains challenging due to irregular sampling, missing reports, and complex dynamics. Beyond accurate point forecasts, maritime applications also demand well-calibrated uncertainty estimates for reliable decision-making. Bayesian Neural Ordinary Differential Equations (ODEs) offer a principled framework for continuous-time trajectory modeling with uncertainty quantification by placing a prior over the neural vector field parameters. However, the commonly used isotropic Gaussian weight prior fails to encode informative structural properties of vessel dynamics, such as smoothness and locality. Existing function-space Bayesian neural network methods address this limitation for static mappings, but do not transfer directly to Neural ODEs, where the primary quantity of interest is the trajectory rather than the vector field itself. In principle, one could place a Gaussian process (GP) prior directly over ODE solutions, but this requires propagating distributions through a nonlinear ODE solver, which is analytically intractable. To address this challenge, we adopt a practical approach that imposes a GP-kernel-based prior directly on the vector field evaluated at a finite set of measurement points. Specifically, we augment the standard weight-space variational objective with a kernel-based regularizer that penalizes deviations of the vector field from the structure implied by a GP prior. To handle long and irregular AIS trajectories, we further combine this function-space regularization with probabilistic multiple shooting, which decouples inference across temporal segments while maintaining global consistency.
Training robust multivariate time series forecasting models requires large, diverse corpora, yet many real-world domains provide only a handful of observed sequences. Existing generators fail to resolve this mismatch: prior-based approaches (e.g., CauKer, TimePFN) produce domain-agnostic samples, while data-driven methods (e.g., TimeGAN) treat references as black-box supervision, forfeiting explicit control over periodic structure, local variability, and cross-variable dynamics. We propose ReGeN, a reference-guided generative pipeline that treats observed sequences not as examples to imitate, but as structural scaffolds for controllable synthesis. ReGeN decomposes each reference into three interpretable components: a phase-aligned periodic backbone capturing dominant domain morphology; per-variable stochastic residuals modeled with a deep-kernel Gaussian process; and lag-aware cross-variable dependencies injected through a structural causal model with fitted coupling coefficients. Sampling these components at controllable temperature broadens distributional coverage while preserving domain-grounded structure. We show that ReGeN-generated data consistently substitutes for real sibling data with minimal forecasting degradation, and in strongly periodic domains such as traffic, can outperform the real source itself. We further show that a foundation model pretrained on ReGeN corpora outperforms those pretrained on prior-based and data-driven synthetic alternatives. This suggests that in low-data regimes, how reference data is structurally exploited can matter as much as how much data is available.
Evaluating large language models across many benchmarks is expensive, yet many benchmarks are highly correlated. We formalize the selection of a small, informative subset as submodular maximization under a multivariate Gaussian model. Entropy (log-determinant covariance) and mutual information between selected and remaining benchmarks arise as natural objectives. Both are submodular; entropy selection coincides with pivoted Cholesky and has spectral residual bounds, while mutual information is non-monotone in general but empirically monotone for small subsets, so we optimize it greedily. Experiments on three matrices from ten public leaderboards show that mutual information selection outperforms entropy for imputation at small subsets.