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 Uncertainty


Measuring the reliability of MCMC inference with bidirectional Monte Carlo

Neural Information Processing Systems

Markov chain Monte Carlo (MCMC) is one of the main workhorses of probabilistic inference, but it is notoriously hard to measure the quality of approximate posterior samples. This challenge is particularly salient in black box inference methods, which can hide details and obscure inference failures. In this work, we extend the recently introduced bidirectional Monte Carlo [GGA15] technique to evaluate MCMC-based posterior inference algorithms. By running annealed importance sampling (AIS) chains both from prior to posterior and vice versa on simulated data, we upper bound in expectation the symmetrized KL divergence between the true posterior distribution and the distribution of approximate samples. We integrate our method into two probabilistic programming languages, WebPPL [GS] and Stan [CGHL+ p], and validate it on several models and datasets. As an example of how our method be used to guide the design of inference algorithms, we apply it to study the effectiveness of different model representations in WebPPL and Stan.


Finite-Dimensional BFRY Priors and Variational Bayesian Inference for Power Law Models

Neural Information Processing Systems

Bayesian nonparametric methods based on the Dirichlet Process (DP), gamma process and beta process, have proven effective in capturing aspects of various datasets arising in machine learning. However, it is now recognized that such processes have their limitations in terms of the ability to capture power law behavior. As such there is now considerable interest in models based on the Stable Processs (SP), Generalized Gamma process (GGP) and Stable-Beta Process (SBP).




Explainable cluster analysis: a bagging approach

arXiv.org Machine Learning

A major limitation of clustering approaches is their lack of explainability: methods rarely provide insight into which features drive the grouping of similar observations. To address this limitation, we propose an ensemble-based clustering framework that integrates bagging and feature dropout to generate feature importance scores, in analogy with feature importance mechanisms in supervised random forests. By leveraging multiple bootstrap resampling schemes and aggregating the resulting partitions, the method improves stability and robustness of the cluster definition, particularly in small-sample or noisy settings. Feature importance is assessed through an information-theoretic approach: at each step, the mutual information between each feature and the estimated cluster labels is computed and weighted by a measure of clustering validity to emphasize well-formed partitions, before being aggregated into a final score. The method outputs both a consensus partition and a corresponding measure of feature importance, enabling a unified interpretation of clustering structure and variable relevance. Its effectiveness is demonstrated on multiple simulated and real-world datasets.


Scalable Learning of Multivariate Distributions via Coresets

arXiv.org Machine Learning

Efficient and scalable non-parametric or semi-parametric regression analysis and density estimation are of crucial importance to the fields of statistics and machine learning. However, available methods are limited in their ability to handle large-scale data. We address this issue by developing a novel coreset construction for multivariate conditional transformation models (MCTMs) to enhance their scalability and training efficiency. To the best of our knowledge, these are the first coresets for semi-parametric distributional models. Our approach yields substantial data reduction via importance sampling. It ensures with high probability that the log-likelihood remains within multiplicative error bounds of $(1\pm\varepsilon)$ and thereby maintains statistical model accuracy. Compared to conventional full-parametric models, where coresets have been incorporated before, our semi-parametric approach exhibits enhanced adaptability, particularly in scenarios where complex distributions and non-linear relationships are present, but not fully understood. To address numerical problems associated with normalizing logarithmic terms, we follow a geometric approximation based on the convex hull of input data. This ensures feasible, stable, and accurate inference in scenarios involving large amounts of data. Numerical experiments demonstrate substantially improved computational efficiency when handling large and complex datasets, thus laying the foundation for a broad range of applications within the statistics and machine learning communities.


A two-step sequential approach for hyperparameter selection in finite context models

arXiv.org Machine Learning

Finite-context models (FCMs) are widely used for compressing symbolic sequences such as DNA, where predictive performance depends critically on the context length k and smoothing parameter α. In practice, these hyperparameters are typically selected through exhaustive search, which is computationally expensive and scales poorly with model complexity. This paper proposes a statistically grounded two-step sequential approach for efficient hyperparameter selection in FCMs. The key idea is to decompose the joint optimization problem into two independent stages. First, the context length k is estimated using categorical serial dependence measures, including Cramér's ν, Cohen's \k{appa} and partial mutual information (pami). Second, the smoothing parameter α is estimated via maximum likelihood conditional on the selected context length k. Simulation experiments were conducted on synthetic symbolic sequences generated by FCMs across multiple (k, α) configurations, considering a four-letter alphabet and different sample sizes. Results show that the dependence measures are substantially more sensitive to variations in k than in α, supporting the sequential estimation strategy. As expected, the accuracy of the hyperparameter estimation improves with increasing sample size. Furthermore, the proposed method achieves compression performance comparable to exhaustive grid search in terms of average bitrate (bits per symbol), while substantially reducing computational cost. Overall, the results on simulated data show that the proposed sequential approach is a practical and computationally efficient alternative to exhaustive hyperparameter tuning in FCMs.


On the role of memorization in learned priors for geophysical inverse problems

arXiv.org Machine Learning

Learned priors based on deep generative models offer data-driven regularization for seismic inversion, but training them requires a dataset of representative subsurface models -- a resource that is inherently scarce in geoscience applications. Since the training objective of most generative models can be cast as maximum likelihood on a finite dataset, any such model risks converging to the empirical distribution -- effectively memorizing the training examples rather than learning the underlying geological distribution. We show that the posterior under such a memorized prior reduces to a reweighted empirical distribution -- i.e., a likelihood-weighted lookup among the stored training examples. For diffusion models specifically, memorization yields a Gaussian mixture prior in closed form, and linearizing the forward operator around each training example gives a Gaussian mixture posterior whose components have widths and shifts governed by the local Jacobian. We validate these predictions on a stylized inverse problem and demonstrate the consequences of memorization through diffusion posterior sampling for full waveform inversion.


Alternating Diffusion for Proximal Sampling with Zeroth Order Queries

arXiv.org Machine Learning

This work introduces a new approximate proximal sampler that operates solely with zeroth-order information of the potential function. Prior theoretical analyses have revealed that proximal sampling corresponds to alternating forward and backward iterations of the heat flow. The backward step was originally implemented by rejection sampling, whereas we directly simulate the dynamics. Unlike diffusion-based sampling methods that estimate scores via learned models or by invoking auxiliary samplers, our method treats the intermediate particle distribution as a Gaussian mixture, thereby yielding a Monte Carlo score estimator from directly samplable distributions. Theoretically, when the score estimation error is sufficiently controlled, our method inherits the exponential convergence of proximal sampling under isoperimetric conditions on the target distribution. In practice, the algorithm avoids rejection sampling, permits flexible step sizes, and runs with a deterministic runtime budget. Numerical experiments demonstrate that our approach converges rapidly to the target distribution, driven by interactions among multiple particles and by exploiting parallel computation.


Latent Plan Transformer for Trajectory Abstraction: Planning as Latent Space Inference

Neural Information Processing Systems

In tasks aiming for long-term returns, planning becomes essential. We study generative modeling for planning with datasets repurposed from offline reinforcement learning. Specifically, we identify temporal consistency in the absence of step-wise rewards as one key technical challenge. We introduce the Latent Plan Transformer (LPT), a novel model that leverages a latent variable to connect a Transformer-based trajectory generator and the final return. LPT can be learned with maximum likelihood estimation on trajectory-return pairs.