Bayesian Inference
Parsimonious Gaussian mixture models with piecewise-constant eigenvalue profiles
Szwagier, Tom, Mattei, Pierre-Alexandre, Bouveyron, Charles, Pennec, Xavier
Gaussian mixture models (GMMs) are ubiquitous in statistical learning, particularly for unsupervised problems. While full GMMs suffer from the overparameterization of their covariance matrices in high-dimensional spaces, spherical GMMs (with isotropic covariance matrices) certainly lack flexibility to fit certain anisotropic distributions. Connecting these two extremes, we introduce a new family of parsimonious GMMs with piecewise-constant covariance eigenvalue profiles. These extend several low-rank models like the celebrated mixtures of probabilistic principal component analyzers (MPPCA), by enabling any possible sequence of eigenvalue multiplicities. If the latter are prespecified, then we can naturally derive an expectation-maximization (EM) algorithm to learn the mixture parameters. Otherwise, to address the notoriously-challenging issue of jointly learning the mixture parameters and hyperparameters, we propose a componentwise penalized EM algorithm, whose monotonicity is proven. We show the superior likelihood-parsimony tradeoffs achieved by our models on a variety of unsupervised experiments: density fitting, clustering and single-image denoising.
Variational Autoencoder for Generating Broader-Spectrum prior Proposals in Markov chain Monte Carlo Methods
Borges, Marcio, Pereira, Felipe, Tosin, Michel
This study uses a Variational Autoencoder method to enhance the efficiency and applicability of Markov Chain Monte Carlo (McMC) methods by generating broader-spectrum prior proposals. Traditional approaches, such as the Karhunen-Loรจve Expansion (KLE), require previous knowledge of the covariance function, often unavailable in practical applications. The VAE framework enables a data-driven approach to flexibly capture a broader range of correlation structures in Bayesian inverse problems, particularly subsurface flow modeling. The methodology is tested on a synthetic groundwater flow inversion problem, where pressure data is used to estimate permeability fields. Numerical experiments demonstrate that the VAE-based parameterization achieves comparable accuracy to KLE when the correlation length is known and outperforms KLE when the assumed correlation length deviates from the true value. Moreover, the VAE approach significantly reduces stochastic dimensionality, improving computational efficiency. The results suggest that leveraging deep generative models in McMC methods can lead to more adaptable and efficient Bayesian inference in high-dimensional problems.
Aleatoric and Epistemic Uncertainty Measures for Ordinal Classification through Binary Reduction
Haas, Stefan, Hรผllermeier, Eyke
Ordinal classification problems, where labels exhibit a natural order, are prevalent in high-stakes fields such as medicine and finance. Accurate uncertainty quantification, including the decomposition into aleatoric (inherent variability) and epistemic (lack of knowledge) components, is crucial for reliable decision-making. However, existing research has primarily focused on nominal classification and regression. In this paper, we introduce a novel class of measures of aleatoric and epistemic uncertainty in ordinal classification, which is based on a suitable reduction to (entropy- and variance-based) measures for the binary case. These measures effectively capture the trade-off in ordinal classification between exact hit-rate and minimial error distances. We demonstrate the effectiveness of our approach on various tabular ordinal benchmark datasets using ensembles of gradient-boosted trees and multi-layer perceptrons for approximate Bayesian inference. Our method significantly outperforms standard and label-wise entropy and variance-based measures in error detection, as indicated by misclassification rates and mean absolute error. Additionally, the ordinal measures show competitive performance in out-of-distribution (OOD) detection. Our findings highlight the importance of considering the ordinal nature of classification problems when assessing uncertainty.
Gregorian melody, modality, and memory: Segmenting chant with Bayesian nonparametrics
Lanz, Vojtฤch, Hajiฤ, Jan jr
The idea that Gregorian melodies are constructed from some vocabulary of segments has long been a part of chant scholarship. This so-called "centonisation" theory has received much musicological criticism, but frequent re-use of certain melodic segments has been observed in chant melodies, and the intractable number of possible segmentations allowed the option that some undiscovered segmentation exists that will yet prove the value of centonisation, and recent empirical results have shown that segmentations can outperform music-theoretical features in mode classification. Inspired by the fact that Gregorian chant was memorised, we search for an optimal unsupervised segmentation of chant melody using nested hierarchical Pitman-Yor language models. The segmentation we find achieves state-of-the-art performance in mode classification. Modeling a monk memorising the melodies from one liturgical manuscript, we then find empirical evidence for the link between mode classification and memory efficiency, and observe more formulaic areas at the beginnings and ends of melodies corresponding to the practical role of modality in performance. However, the resulting segmentations themselves indicate that even such a memory-optimal segmentation is not what is understood as centonisation.
Duality and Policy Evaluation in Distributionally Robust Bayesian Diffusion Control
Blanchet, Jose, Cheng, Jiayi, Liu, Hao, Liu, Yang
We consider a Bayesian diffusion control problem of expected terminal utility maximization. The controller imposes a prior distribution on the unknown drift of an underlying diffusion. The Bayesian optimal control, tracking the posterior distribution of the unknown drift, can be characterized explicitly. However, in practice, the prior will generally be incorrectly specified, and the degree of model misspecification can have a significant impact on policy performance. To mitigate this and reduce overpessimism, we introduce a distributionally robust Bayesian control (DRBC) formulation in which the controller plays a game against an adversary who selects a prior in divergence neighborhood of a baseline prior. The adversarial approach has been studied in economics and efficient algorithms have been proposed in static optimization settings. We develop a strong duality result for our DRBC formulation. Combining these results together with tools from stochastic analysis, we are able to derive a loss that can be efficiently trained (as we demonstrate in our numerical experiments) using a suitable neural network architecture. As a result, we obtain an effective algorithm for computing the DRBC optimal strategy. The methodology for computing the DRBC optimal strategy is greatly simplified, as we show, in the important case in which the adversary chooses a prior from a Kullback-Leibler distributional uncertainty set.
GANs Secretly Perform Approximate Bayesian Model Selection
Filippone, Maurizio, Linhard, Marius P.
Generative Adversarial Networks (GANs) are popular and successful generative models. Despite their success, optimization is notoriously challenging and they require regularization against overfitting. In this work, we explain the success and limitations of GANs by interpreting them as probabilistic generative models. This interpretation enables us to view GANs as Bayesian neural networks with partial stochasticity, allowing us to establish conditions of universal approximation. We can then cast the adversarial-style optimization of several variants of GANs as the optimization of a proxy for the marginal likelihood. Taking advantage of the connection between marginal likelihood optimization and Occam's razor, we can define regularization and optimization strategies to smooth the loss landscape and search for solutions with minimum description length, which are associated with flat minima and good generalization. The results on a wide range of experiments indicate that these strategies lead to performance improvements and pave the way to a deeper understanding of regularization strategies for GANs.
Binned semiparametric Bayesian networks
Sojo, Rafael, Dรญaz-Rozo, Javier, Bielza, Concha, Larraรฑaga, Pedro
This paper introduces a new type of probabilistic semiparametric model that takes advantage of data binning to reduce the computational cost of kernel density estimation in nonparametric distributions. Two new conditional probability distributions are developed for the new binned semiparametric Bayesian networks, the sparse binned kernel density estimation and the Fourier kernel density estimation. These two probability distributions address the curse of dimensionality, which typically impacts binned models, by using sparse tensors and restricting the number of parent nodes in conditional probability calculations. To evaluate the proposal, we perform a complexity analysis and conduct several comparative experiments using synthetic data and datasets from the UCI Machine Learning repository. The experiments include different binning rules, parent restrictions, grid sizes, and number of instances to get a holistic view of the model's behavior. As a result, our binned semiparametric Bayesian networks achieve structural learning and log-likelihood estimations with no statistically significant differences compared to the semiparametric Bayesian networks, but at a much higher speed. Thus, the new binned semiparametric Bayesian networks prove to be a reliable and more efficient alternative to their non-binned counterparts.
Enhancing LLM Agent Safety via Causal Influence Prompting
Hahm, Dongyoon, Jin, Woogyeol, Choi, June Suk, Ahn, Sungsoo, Lee, Kimin
As autonomous agents powered by large language models (LLMs) continue to demonstrate potential across various assistive tasks, ensuring their safe and reliable behavior is crucial for preventing unintended consequences. In this work, we introduce CIP, a novel technique that leverages causal influence diagrams (CIDs) to identify and mitigate risks arising from agent decision-making. CIDs provide a structured representation of cause-and-effect relationships, enabling agents to anticipate harmful outcomes and make safer decisions. Our approach consists of three key steps: (1) initializing a CID based on task specifications to outline the decision-making process, (2) guiding agent interactions with the environment using the CID, and (3) iteratively refining the CID based on observed behaviors and outcomes. Experimental results demonstrate that our method effectively enhances safety in both code execution and mobile device control tasks.
Quantum Approximate Optimization Algorithm for Spatiotemporal Forecasting of HIV Clusters
Roosan, Don, Nirzhor, Saif, Khan, Rubayat, Hai, Fahmida, Haidar, Mohammad Rifat
HIV epidemiological data is increasingly complex, requiring advanced computation for accurate cluster detection and forecasting. We employed quantum-accelerated machine learning to analyze HIV prevalence at the ZIP-code level using AIDSVu and synthetic SDoH data for 2022. Our approach compared classical clustering (DBSCAN, HDBSCAN) with a quantum approximate optimization algorithm (QAOA), developed a hybrid quantum-classical neural network for HIV prevalence forecasting, and used quantum Bayesian networks to explore causal links between SDoH factors and HIV incidence. The QAOA-based method achieved 92% accuracy in cluster detection within 1.6 seconds, outperforming classical algorithms. Meanwhile, the hybrid quantum-classical neural network predicted HIV prevalence with 94% accuracy, surpassing a purely classical counterpart. Quantum Bayesian analysis identified housing instability as a key driver of HIV cluster emergence and expansion, with stigma exerting a geographically variable influence. These quantum-enhanced methods deliver greater precision and efficiency in HIV surveillance while illuminating critical causal pathways. This work can guide targeted interventions, optimize resource allocation for PrEP, and address structural inequities fueling HIV transmission.
Diffusion Disambiguation Models for Partial Label Learning
Fan, Jinfu, Zhong, Xiaohui, Ren, Kangrui, Li, Jiangnan, Huang, Linqing
Learning from ambiguous labels is a long-standing problem in practical machine learning applications. The purpose of \emph{partial label learning} (PLL) is to identify the ground-truth label from a set of candidate labels associated with a given instance. Inspired by the remarkable performance of diffusion models in various generation tasks, this paper explores their potential to denoise ambiguous labels through the reverse denoising process. Therefore, this paper reformulates the label disambiguation problem from the perspective of generative models, where labels are generated by iteratively refining initial random guesses. This perspective enables the diffusion model to learn how label information is generated stochastically. By modeling the generation uncertainty, we can use the maximum likelihood estimate of the label for classification inference. However, such ambiguous labels lead to a mismatch between instance and label, which reduces the quality of generated data. To address this issue, this paper proposes a \emph{diffusion disambiguation model for PLL} (DDMP), which first uses the potential complementary information between instances and labels to construct pseudo-clean labels for initial diffusion training. Furthermore, a transition-aware matrix is introduced to estimate the potential ground-truth labels, which are dynamically updated during the diffusion generation. During training, the ground-truth label is progressively refined, improving the classifier. Experiments show the advantage of the DDMP and its suitability for PLL.