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 Uncertainty


From Generalist to Specialist Representation

arXiv.org Machine Learning

Given a generalist model, learning a task-relevant specialist representation is fundamental for downstream applications. Identifiability, the asymptotic guarantee of recovering the ground-truth representation, is critical because it sets the ultimate limit of any model, even with infinite data and computation. We study this problem in a completely nonparametric setting, without relying on interventions, parametric forms, or structural constraints. We first prove that the structure between time steps and tasks is identifiable in a fully unsupervised manner, even when sequences lack strict temporal dependence and may exhibit disconnections, and task assignments can follow arbitrarily complex and interleaving structures. We then prove that, within each time step, the task-relevant latent representation can be disentangled from the irrelevant part under a simple sparsity regularization, without any additional information or parametric constraints. Together, these results establish a hierarchical foundation: task structure is identifiable across time steps, and task-relevant latent representations are identifiable within each step. To our knowledge, each result provides a first general nonparametric identifiability guarantee, and together they mark a step toward provably moving from generalist to specialist models.


Enhancing a Risk Model by Adding Transient Statistical Factors

arXiv.org Machine Learning

Estimating the covariance of asset returns, i.e., the risk model, is a key component of financial portfolio construction and evaluation. Most risk modeling approaches produce a factor model that decomposes the asset variability into two components: the first attributed to a small number of factors that are common among the assets and the second attributed to the idiosyncratic behavior of each asset. Third-party providers typically provide risk models to investors, and while these models are typically of high quality, they may fail to capture important information, e.g., changing market regimes and transient factors. To overcome these limitations, we propose a systematic method based on maximum likelihood estimation to enhance an existing factor model by both refining the given model and adding new statistical factors. Our approach relies only on the observed sequence of realized returns and on the choice of two hyperparameters: the number of additional factors and the half-life parameter that determines the weights assigned to returns in the log-likelihood objective. Importantly, our methodology applies to the situation where asset returns may be missing, making it suitable for typical equity datasets. We demonstrate our approach on the Barra short-term US risk model, a high-quality risk model used in practice, for a universe of US high-capitalization equities. We show that the proposed extension captures structure in the returns that is missed by the original model.


Adaptive Kernel Density Estimation with Pre-training

arXiv.org Machine Learning

Density estimation in high-dimensional settings is an important and challenging statistical problem.Traditional methods based on kernel smoothing are inefficient in high dimensions due to the difficulties in specifying appropriate location-adaptive kernels. In this work, we introduce pre-training, a key idea behind many cutting-edge AI technologies, to the context of non-parametric density estimation. By establishing a pre-trained neural network that can recommend an appropriate location-adaptive kernel for each sample point, efficient density estimation with adaptive kernels is achieved in high dimensions. A wide range of numerical experiments show that this strategy is highly effective for improving density-estimation accuracy, when the target distribution is close to the distribution family for pre-training. When the target distribution is substantially different from the pre-training distribution family, the benefit from the proposed pre-training strategy may be diluted, but can be reactivated by an additional fine-tuning procedure.


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.


Interpretable Machine Learning for Spatial Science: A Lie-Algebraic Kernel for Rotationally Anisotropic Gaussian Processes

arXiv.org Machine Learning

Many three-dimensional spatial fields are anisotropic, with directions of rapid and slow variation that need not align with the coordinate axes. Standard Gaussian process kernels with Automatic Relevance Determination (ARD) capture only axis-aligned anisotropy, while generic full symmetric positive definite (SPD) metrics can represent rotated anisotropy but do not parameterise principal length-scales and directions directly. We introduce an interpretable rotationally anisotropic GP kernel that parameterises a three-dimensional SPD covariance metric using three principal length-scales and an explicit SO(3) rotation. The rotation is represented by an axis-angle vector and mapped to SO(3) via the Lie-algebra exponential map, giving unconstrained Euclidean coordinates for inference while always inducing a valid SPD metric. The construction spans the same family of three-dimensional SPD covariance metrics as a generic full-SPD parameterisation, but exposes the geometry differently: length-scales and orientation are explicit, interpretable, and directly available for prior specification and posterior summaries. We perform Bayesian inference on these quantities using Markov Chain Monte Carlo (MCMC), and characterise the resulting symmetries and weakly identified regimes. On synthetic data with rotated anisotropy, the posterior recovers the generating metric and improves prediction relative to an axis-aligned ARD baseline, while matching the predictive performance of a generic full SPD baseline. When the ground truth is axis-aligned, posterior mass concentrates near the identity rotation and predictive performance matches ARD. On a material-density dataset from a laboratory-fabricated nano-brick, the inferred metric reveals rotated anisotropy that is not captured by axis-aligned kernels.


Causal Algorithmic Recourse: Foundations and Methods

arXiv.org Machine Learning

The trustworthiness of AI decision-making systems is increasingly important. A key feature of such systems is the ability to provide recommendations for how an individual may reverse a negative decision, a problem known as algorithmic recourse. Existing approaches treat recourse outcomes as counterfactuals of a fixed unit, ignoring that real-world recourse involves repeated decisions on the same individual under possibly different latent conditions. We develop a causal framework that models recourse as a process over pre- and post-intervention outcomes, allowing for partial stability and resampling of latent variables. We introduce post-recourse stability conditions that enable reasoning about recourse from observational data alone, and develop a copula-based algorithm for inferring the effects of recourse under these conditions. For settings where paired observations of the same individual before and after intervention are available (called recourse data), we develop methods for inferring copula parameters and performing goodness-of-fit testing. When the copula model is rejected, we provide a distribution-free algorithm for learning recourse effects directly from recourse data. We demonstrate the value of the proposed methods on real and semi-synthetic datasets.


Posterior Contraction Rates for Sparse Kolmogorov-Arnold Networks in Anisotropic Besov Spaces

arXiv.org Machine Learning

We study posterior contraction rates for sparse Bayesian Kolmogorov-Arnold networks (KANs) over anisotropic Besov spaces, providing a statistical foundation of KANs from a Bayesian point of view. We show that sparse Bayesian KANs equipped with spike-and-slab-type sparsity priors attain the near-minimax posterior contraction. In particular, the contraction rate depends on the intrinsic anisotropic smoothness of the underlying function. Moreover, by placing a hyperprior on a single model-size parameter, the resulting posterior adapts to unknown anisotropic smoothness and still achieves the corresponding near-minimax rate. A distinctive feature of our results, compared with those for standard sparse MLP-based models, is that the KAN depth can be kept fixed: owing to the flexibility of learnable spline edge functions, the required approximation complexity is controlled through the network width, spline-grid range and size, and parameter sparsity. Our analysis develops theoretical tools tailored to sparse spline-edge architectures, including approximation and complexity bounds for Bayesian KANs. We then extend to compositional Besov spaces and show that the contraction rates depend on layerwise smoothness and effective dimension of the underlying compositional structure, thereby effectively avoiding the curse of dimensionality. Together, the developed tools and findings advance the theoretical understanding of Bayesian neural networks and provide rigorous statistical foundations for KANs.


Self-Supervised Laplace Approximation for Bayesian Uncertainty Quantification

arXiv.org Machine Learning

Approximate Bayesian inference typically revolves around computing the posterior parameter distribution. In practice, however, the main object of interest is often a model's predictions rather than its parameters. In this work, we propose to bypass the parameter posterior and focus directly on approximating the posterior predictive distribution. We achieve this by drawing inspiration from self-training within self-supervised and semi-supervised learning. Essentially, we quantify a Bayesian model's predictive uncertainty by refitting on self-predicted data. The idea is strikingly simple: If a model assigns high likelihood to self-predicted data, these predictions are of low uncertainty, and vice versa. This yields a deterministic, sampling-free approximation of the posterior predictive. The modular structure of our Self-Supervised Laplace Approximation (SSLA) further allows us to plug in different prior specifications, enabling classical Bayesian sensitivity (w.r.t. prior choice) analysis. In order to bypass expensive refitting, we further introduce an approximate version of SSLA, called ASSLA. We study (A)SSLA both theoretically and empirically in regression models ranging from Bayesian linear models to Bayesian neural networks. Across a wide array of regression tasks with simulated and real-world datasets, our methods outperform classical Laplace approximations in predictive calibration while remaining computationally efficient.


A proximal gradient algorithm for composite log-concave sampling

arXiv.org Machine Learning

We propose an algorithm to sample from composite log-concave distributions over $\mathbb{R}^d$, i.e., densities of the form $π\propto e^{-f-g}$, assuming access to gradient evaluations of $f$ and a restricted Gaussian oracle (RGO) for $g$. The latter requirement means that we can easily sample from the density $\text{RGO}_{g,h,y}(x) \propto \exp(-g(x) -\frac{1}{2h}||y-x||^2)$, which is the sampling analogue of the proximal operator for $g$. If $f + g$ is $α$-strongly convex and $f$ is $β$-smooth, our sampler achieves $\varepsilon$ error in total variation distance in $\widetilde{\mathcal O}(κ\sqrt d \log^4(1/\varepsilon))$ iterations where $κ:= β/α$, which matches prior state-of-the-art results for the case $g=0$. We further extend our results to cases where (1) $π$ is non-log-concave but satisfies a Poincaré or log-Sobolev inequality, and (2) $f$ is non-smooth but Lipschitz.


Fourier Feature Methods for Nonlinear Causal Discovery: FFML Scoring, TRFF Scoring, and FFCI Testing in Mixed Data

arXiv.org Machine Learning

Gaussian process (GP) marginal likelihood scores and kernel conditional independence tests are theoretically appealing for nonlinear causal discovery but computationally prohibitive at scale. We present three complementary RFF-based methods forming a practical toolkit for score-based, constraint-based, and hybrid causal discovery. The Fourier Feature Marginal Likelihood (FFML) score approximates the exact GP marginal likelihood by replacing the $n x n$ kernel Gram matrix with a finite-dimensional feature representation, reducing cost to $O(nm^2 + m^3)$ while retaining the probabilistic interpretation and automatic complexity penalty of the exact score. FFML extends to mixed (continuous and discrete) parent sets via a product-kernel construction, with a Kronecker path for small discrete parent sets and a Hadamard-product path otherwise. The Tetrad Random Fourier Feature (TRFF) score is a complementary BIC-style alternative using penalized Student-t regression with random Fourier features. TRFF offers robustness to heavy-tailed noise and faster runtime than FFML. Empirically, TRFF and FFML exhibit a complementary precision-recall profile: TRFF achieves higher precision while FFML achieves better recall and lower SHD overall. The Fourier Feature Conditional Independence (FFCI) test is a fast nonparametric CI test for mixed data, using ridge residualization in feature space and a Frobenius-norm cross-covariance statistic approximated as a weighted sum of chi-squared variables. Empirically, BOSS+FFML achieves the lowest SHD on nonlinear data, while BOSS+TRFF offers the highest precision. When run through PC-Max, FFCI and RCIT exhibit complementary precision-recall profiles: RCIT is more precise while FFCI achieves better recall and substantially lower SHD, at approximately twice the runtime.