Goto

Collaborating Authors

 Directed Networks


A Predictive View on Streaming Hidden Markov Models

Duran-Martin, Gerardo

arXiv.org Machine Learning

We develop a predictive-first optimisation framework for streaming hidden Markov models. Unlike classical approaches that prioritise full posterior recovery under a fully specified generative model, we assume access to regime-specific predictive models whose parameters are learned online while maintaining a fixed transition prior over regimes. Our objective is to sequentially identify latent regimes while maintaining accurate step-ahead predictive distributions. Because the number of possible regime paths grows exponentially, exact filtering is infeasible. We therefore formulate streaming inference as a constrained projection problem in predictive-distribution space: under a fixed hypothesis budget, we approximate the full posterior predictive by the forward-KL optimal mixture supported on $S$ paths. The solution is the renormalised top-$S$ posterior-weighted mixture, providing a principled derivation of beam search for HMMs. The resulting algorithm is fully recursive and deterministic, performing beam-style truncation with closed-form predictive updates and requiring neither EM nor sampling. Empirical comparisons against Online EM and Sequential Monte Carlo under matched computational budgets demonstrate competitive prequential performance.


Data-Efficient Non-Gaussian Semi-Nonparametric Density Estimation for Nonlinear Dynamical Systems

Liao, Aaron R., Oguri, Kenshiro, Carpenter, Michele D.

arXiv.org Machine Learning

Accurate representation of non-Gaussian distributions of quantities of interest in nonlinear dynamical systems is critical for estimation, control, and decision-making, but can be challenging when forward propagations are expensive to carry out. This paper presents an approach for estimating probability density functions of states evolving under nonlinear dynamics using Seminonparametric (SNP), or Gallant-Nychka, densities. SNP densities employ a probabilists' Hermite polynomial basis to model non-Gaussian behavior and are positive everywhere on the support by construction. We use Monte Carlo to approximate the expectation integrals that arise in the maximum likelihood estimation of SNP coefficients, and introduce a convex relaxation to generate effective initial estimates. The method is demonstrated on density and quantile estimation for the chaotic Lorenz system. The results demonstrate that the proposed method can accurately capture non-Gaussian density structure and compute quantiles using significantly fewer samples than raw Monte Carlo sampling.


tBayes-MICE: A Bayesian Approach to Multiple Imputation for Time Series Data

Ibenegbu, Amuche, de Micheaux, Pierre Lafaye, Chandra, Rohitash

arXiv.org Machine Learning

Time-series analysis is often affected by missing data, a common problem across several fields, including healthcare and environmental monitoring. Multiple Imputation by Chained Equations (MICE) has been prominent for imputing missing values through "fully conditional specification". We extend MICE using the Bayesian framework (tBayes-MICE), utilising Bayesian inference to impute missing values via Markov Chain Monte Carlo (MCMC) sampling to account for uncertainty in MICE model parameters and imputed values. We also include temporally informed initialisation and time-lagged features in the model to respect the sequential nature of time-series data. We evaluate the tBayes-MICE method using two real-world datasets (AirQuality and PhysioNet), and using both the Random Walk Metropolis (RWM) and the Metropolis-Adjusted Langevin Algorithm (MALA) samplers. Our results demonstrate that tBayes-MICE reduces imputation errors relative to the baseline methods over all variables and accounts for uncertainty in the imputation process, thereby providing a more accurate measure of imputation error. We also found that MALA mixed better than RWM across most variables, achieving comparable accuracy while providing more consistent posterior exploration. Overall, these findings suggest that the tBayes-MICE framework represents a practical and efficient approach to time-series imputation, balancing increased accuracy with meaningful quantification of uncertainty in various environmental and clinical settings.


Computationally lightweight classifiers with frequentist bounds on predictions

Murali, Shreeram, Rojas, Cristian R., Baumann, Dominik

arXiv.org Machine Learning

While both classical and neural network classifiers can achieve high accuracy, they fall short on offering uncertainty bounds on their predictions, making them unfit for safety-critical applications. Existing kernel-based classifiers that provide such bounds scale with $\mathcal O (n^{\sim3})$ in time, making them computationally intractable for large datasets. To address this, we propose a novel, computationally efficient classification algorithm based on the Nadaraya-Watson estimator, for whose estimates we derive frequentist uncertainty intervals. We evaluate our classifier on synthetically generated data and on electrocardiographic heartbeat signals from the MIT-BIH Arrhythmia database. We show that the method achieves competitive accuracy $>$\SI{96}{\percent} at $\mathcal O(n)$ and $\mathcal O(\log n)$ operations, while providing actionable uncertainty bounds. These bounds can, e.g., aid in flagging low-confidence predictions, making them suitable for real-time settings with resource constraints, such as diagnostic monitoring or implantable devices.


A Bayesian Information-Theoretic Approach to Data Attribution

Tailor, Dharmesh, Felicioni, Nicolò, Ciosek, Kamil

arXiv.org Machine Learning

Training Data Attribution (TDA) seeks to trace model predictions back to influential training examples, enhancing interpretability and safety. We formulate TDA as a Bayesian information-theoretic problem: subsets are scored by the information loss they induce - the entropy increase at a query when removed. This criterion credits examples for resolving predictive uncertainty rather than label noise. To scale to modern networks, we approximate information loss using a Gaussian Process surrogate built from tangent features. We show this aligns with classical influence scores for single-example attribution while promoting diversity for subsets. For even larger-scale retrieval, we relax to an information-gain objective and add a variance correction for scalable attribution in vector databases. Experiments show competitive performance on counterfactual sensitivity, ground-truth retrieval and coreset selection, showing that our method scales to modern architectures while bridging principled measures with practice.


Massively Parallel Exact Inference for Hawkes Processes

Raza, Ahmer, Smith, Hudson

arXiv.org Machine Learning

Multivariate Hawkes processes are a widely used class of self-exciting point processes, but maximum likelihood estimation naively scales as $O(N^2)$ in the number of events. The canonical linear exponential Hawkes process admits a faster $O(N)$ recurrence, but prior work evaluates this recurrence sequentially, without exploiting parallelization on modern GPUs. We show that the Hawkes process intensity can be expressed as a product of sparse transition matrices admitting a linear-time associative multiply, enabling computation via a parallel prefix scan. This yields a simple yet massively parallelizable algorithm for maximum likelihood estimation of linear exponential Hawkes processes. Our method reduces the computational complexity to approximately $O(N/P)$ with $P$ parallel processors, and naturally yields a batching scheme to maintain constant memory usage, avoiding GPU memory constraints. Importantly, it computes the exact likelihood without any additional assumptions or approximations, preserving the simplicity and interpretability of the model. We demonstrate orders-of-magnitude speedups on simulated and real datasets, scaling to thousands of nodes and tens of millions of events, substantially beyond scales reported in prior work. We provide an open-source PyTorch library implementing our optimizations.


Variational Approximated Restricted Maximum Likelihood Estimation for Spatial Data

Thakur, Debjoy

arXiv.org Machine Learning

This research considers a scalable inference for spatial data modeled through Gaussian intrinsic conditional autoregressive (ICAR) structures. The classical estimation method, restricted maximum likelihood (REML), requires repeated inversion and factorization of large, sparse precision matrices, which makes this computation costly. To sort this problem out, we propose a variational restricted maximum likelihood (VREML) framework that approximates the intractable marginal likelihood using a Gaussian variational distribution. By constructing an evidence lower bound (ELBO) on the restricted likelihood, we derive a computationally efficient coordinate-ascent algorithm for jointly estimating the spatial random effects and variance components. In this article, we theoretically establish the monotone convergence of ELBO and mathematically exhibit that the variational family is exact under Gaussian ICAR settings, which is an indication of nullifying approximation error at the posterior level. We empirically establish the supremacy of our VREML over MLE and INLA.


A unifying view of contrastive learning, importance sampling, and bridge sampling for energy-based models

Martino, Luca

arXiv.org Machine Learning

In the last decades, energy-based models (EBMs) have become an important class of probabilistic models in which a component of the likelihood is intractable and therefore cannot be evaluated explicitly. Consequently, parameter estimation in EBMs is challenging for conventional inference methods. In this work, we provide a unified framework that connects noise contrastive estimation (NCE), reverse logistic regression (RLR), multiple importance sampling (MIS), and bridge sampling within the context of EBMs. We further show that these methods are equivalent under specific conditions. This unified perspective clarifies relationships among existing methods and enables the development of new estimators, with the potential to improve statistical and computational efficiency. Furthermore, this study helps elucidate the success of NCE in terms of its flexibility and robustness, while also identifying scenarios in which its performance can be further improved. Hence, rather than being a purely descriptive review, this work offers a unifying perspective and additional methodological contributions. The MATLAB code used in the numerical experiments is also made freely available to support the reproducibility of the results.


Ensemble-Based Dirichlet Modeling for Predictive Uncertainty and Selective Classification

Franzen, Courtney, Pourkamali-Anaraki, Farhad

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.


Generative Modeling under Non-Monotonic MAR Missingness via Approximate Wasserstein Gradient Flows

Kremling, Gitte, Näf, Jeffrey, Lederer, Johannes

arXiv.org Machine Learning

The prevalence of missing values in data science poses a substantial risk to any further analyses. Despite a wealth of research, principled nonparametric methods to deal with general non-monotone missingness are still scarce. Instead, ad-hoc imputation methods are often used, for which it remains unclear whether the correct distribution can be recovered. In this paper, we propose FLOWGEM, a principled iterative method for generating a complete dataset from a dataset with values Missing at Random (MAR). Motivated by convergence results of the ignoring maximum likelihood estimator, our approach minimizes the expected Kullback-Leibler (KL) divergence between the observed data distribution and the distribution of the generated sample over different missingness patterns. To minimize the KL divergence, we employ a discretized particle evolution of the corresponding Wasserstein Gradient Flow, where the velocity field is approximated using a local linear estimator of the density ratio. This construction yields a data generation scheme that iteratively transports an initial particle ensemble toward the target distribution. Simulation studies and real-data benchmarks demonstrate that FLOWGEM achieves state-of-the-art performance across a range of settings, including the challenging case of non-monotonic MAR mechanisms. Together, these results position FLOWGEM as a principled and practical alternative to existing imputation methods, and a decisive step towards closing the gap between theoretical rigor and empirical performance.