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 Uncertainty


Humble your Overconfident Networks: Unlearning Overfitting via Sequential Monte Carlo Tempered Deep Ensembles

arXiv.org Machine Learning

Sequential Monte Carlo (SMC) methods offer a principled approach to Bayesian uncertainty quantification but are traditionally limited by the need for full-batch gradient evaluations. We introduce a scalable variant by incorporating Stochastic Gradient Hamiltonian Monte Carlo (SGHMC) proposals into SMC, enabling efficient mini-batch based sampling. Our resulting SMCSGHMC algorithm outperforms standard stochastic gradient descent (SGD) and deep ensembles across image classification, out-of-distribution (OOD) detection, and transfer learning tasks. We further show that SMCSGHMC mitigates overfitting and improves calibration, providing a flexible, scalable pathway for converting pretrained neural networks into well-calibrated Bayesian models.


Wasserstein Barycenter Gaussian Process based Bayesian Optimization

arXiv.org Machine Learning

Gaussian Process based Bayesian Optimization is a widely applied algorithm to learn and optimize under uncertainty, well-known for its sample efficiency. However, recently -- and more frequently -- research studies have empirically demonstrated that the Gaussian Process fitting procedure at its core could be its most relevant weakness. Fitting a Gaussian Process means tuning its kernel's hyperparameters to a set of observations, but the common Maximum Likelihood Estimation technique, usually appropriate for learning tasks, has shown different criticalities in Bayesian Optimization, making theoretical analysis of this algorithm an open challenge. Exploiting the analogy between Gaussian Processes and Gaussian Distributions, we present a new approach which uses a prefixed set of hyperparameters values to fit as many Gaussian Processes and then combines them into a unique model as a Wasserstein Barycenter of Gaussian Processes. We considered both "easy" test problems and others known to undermine the \textit{vanilla} Bayesian Optimization algorithm. The new method, namely Wasserstein Barycenter Gausssian Process based Bayesian Optimization (WBGP-BO), resulted promising and able to converge to the optimum, contrary to vanilla Bayesian Optimization, also on the most "tricky" test problems.


Attribution Projection Calculus: A Novel Framework for Causal Inference in Bayesian Networks

arXiv.org Machine Learning

This paper introduces Attribution Projection Calculus (AP-Calculus), a novel mathematical framework for determining causal relationships in structured Bayesian networks. We investigate a specific network architecture with source nodes connected to destination nodes through intermediate nodes, where each input maps to a single label with maximum marginal probability. We prove that for each label, exactly one intermediate node acts as a deconfounder while others serve as confounders, enabling optimal attribution of features to their corresponding labels. The framework formalizes the dual nature of intermediate nodes as both confounders and deconfounders depending on the context, and establishes separation functions that maximize distinctions between intermediate representations. We demonstrate that the proposed network architecture is optimal for causal inference compared to alternative structures, including those based on Pearl's causal framework. AP-Calculus provides a comprehensive mathematical foundation for analyzing feature-label attributions, managing spurious correlations, quantifying information gain, ensuring fairness, and evaluating uncertainty in prediction models, including large language models. Theoretical verification shows that AP-Calculus not only extends but can also subsume traditional do-calculus for many practical applications, offering a more direct approach to causal inference in supervised learning contexts.


T-Rex: Fitting a Robust Factor Model via Expectation-Maximization

arXiv.org Machine Learning

Over the past decades, there has been a surge of interest in studying low-dimensional structures within high-dimensional data. Statistical factor models $-$ i.e., low-rank plus diagonal covariance structures $-$ offer a powerful framework for modeling such structures. However, traditional methods for fitting statistical factor models, such as principal component analysis (PCA) or maximum likelihood estimation assuming the data is Gaussian, are highly sensitive to heavy tails and outliers in the observed data. In this paper, we propose a novel expectation-maximization (EM) algorithm for robustly fitting statistical factor models. Our approach is based on Tyler's M-estimator of the scatter matrix for an elliptical distribution, and consists of solving Tyler's maximum likelihood estimation problem while imposing a structural constraint that enforces the low-rank plus diagonal covariance structure. We present numerical experiments on both synthetic and real examples, demonstrating the robustness of our method for direction-of-arrival estimation in nonuniform noise and subspace recovery.


Denoising Diffusion Probabilistic Model for Point Cloud Compression at Low Bit-Rates

arXiv.org Artificial Intelligence

--Efficient compression of low-bit-rate point clouds is critical for bandwidth-constrained applications. However, existing techniques mainly focus on high-fidelity reconstruction, requiring many bits for compression. This paper proposes a "Denoising Diffusion Probabilistic Model" (DDPM) architecture for point cloud compression (DDPM-PCC) at low bit-rates. A PointNet encoder produces the condition vector for the generation, which is then quantized via a learnable vector quantizer . This configuration allows to achieve a low bitrates while preserving quality. Experiments on ShapeNet and ModelNet40 show improved rate-distortion at low rates compared to standardized and state-of-the-art approaches.


SNAPE-PM: Building and Utilizing Dynamic Partner Models for Adaptive Explanation Generation

arXiv.org Artificial Intelligence

Adapting to the addressee is crucial for successful explanations, yet poses significant challenges for dialogsystems. We adopt the approach of treating explanation generation as a non-stationary decision process, where the optimal strategy varies according to changing beliefs about the explainee and the interaction context. In this paper we address the questions of (1) how to track the interaction context and the relevant listener features in a formally defined computational partner model, and (2) how to utilize this model in the dynamically adjusted, rational decision process that determines the currently best explanation strategy. We propose a Bayesian inference-based approach to continuously update the partner model based on user feedback, and a non-stationary Markov Decision Process to adjust decision-making based on the partner model values. We evaluate an implementation of this framework with five simulated interlocutors, demonstrating its effectiveness in adapting to different partners with constant and even changing feedback behavior. The results show high adaptivity with distinct explanation strategies emerging for different partners, highlighting the potential of our approach to improve explainable AI systems and dialogsystems in general.


Generative Modeling of Random Fields from Limited Data via Constrained Latent Flow Matching

arXiv.org Artificial Intelligence

Deep generative models are promising tools for science and engineering, but their reliance on abundant, high-quality data limits applicability. We present a novel framework for generative modeling of random fields (probability distributions over continuous functions) that incorporates domain knowledge to supplement limited, sparse, and indirect data. The foundation of the approach is latent flow matching, where generative modeling occurs on compressed function representations in the latent space of a pre-trained variational autoencoder (VAE). Innovations include the adoption of a function decoder within the VAE and integration of physical/statistical constraints into the VAE training process. In this way, a latent function representation is learned that yields continuous random field samples satisfying domain-specific constraints when decoded, even in data-limited regimes. Efficacy is demonstrated on two challenging applications: wind velocity field reconstruction from sparse sensors and material property inference from a limited number of indirect measurements. Results show that the proposed framework achieves significant improvements in reconstruction accuracy compared to unconstrained methods and enables effective inference with relatively small training datasets that is intractable without constraints.


Mutual Evidential Deep Learning for Medical Image Segmentation

arXiv.org Artificial Intelligence

Existing semi-supervised medical segmentation co-learning frameworks have realized that model performance can be diminished by the biases in model recognition caused by low-quality pseudo-labels. Due to the averaging nature of their pseudo-label integration strategy, they fail to explore the reliability of pseudo-labels from different sources. In this paper, we propose a mutual evidential deep learning (MEDL) framework that offers a potentially viable solution for pseudo-label generation in semi-supervised learning from two perspectives. First, we introduce networks with different architectures to generate complementary evidence for unlabeled samples and adopt an improved class-aware evidential fusion to guide the confident synthesis of evidential predictions sourced from diverse architectural networks. Second, utilizing the uncertainty in the fused evidence, we design an asymptotic Fisher information-based evidential learning strategy. This strategy enables the model to initially focus on unlabeled samples with more reliable pseudo-labels, gradually shifting attention to samples with lower-quality pseudo-labels while avoiding over-penalization of mislabeled classes in high data uncertainty samples. Additionally, for labeled data, we continue to adopt an uncertainty-driven asymptotic learning strategy, gradually guiding the model to focus on challenging voxels. Extensive experiments on five mainstream datasets have demonstrated that MEDL achieves state-of-the-art performance.


Uncertainty quantification with approximate variational learning for wearable photoplethysmography prediction tasks

arXiv.org Artificial Intelligence

Photoplethysmography (PPG) signals encode information about relative changes in blood volume that can be used to assess various aspects of cardiac health non-invasively, e.g.\ to detect atrial fibrillation (AF) or predict blood pressure (BP). Deep networks are well-equipped to handle the large quantities of data acquired from wearable measurement devices. However, they lack interpretability and are prone to overfitting, leaving considerable risk for poor performance on unseen data and misdiagnosis. Here, we describe the use of two scalable uncertainty quantification techniques: Monte Carlo Dropout and the recently proposed Improved Variational Online Newton. These techniques are used to assess the trustworthiness of models trained to perform AF classification and BP regression from raw PPG time series. We find that the choice of hyperparameters has a considerable effect on the predictive performance of the models and on the quality and composition of predicted uncertainties. E.g. the stochasticity of the model parameter sampling determines the proportion of the total uncertainty that is aleatoric, and has varying effects on predictive performance and calibration quality dependent on the chosen uncertainty quantification technique and the chosen expression of uncertainty. We find significant discrepancy in the quality of uncertainties over the predicted classes, emphasising the need for a thorough evaluation protocol that assesses local and adaptive calibration. This work suggests that the choice of hyperparameters must be carefully tuned to balance predictive performance and calibration quality, and that the optimal parameterisation may vary depending on the chosen expression of uncertainty.


NeuralSurv: Deep Survival Analysis with Bayesian Uncertainty Quantification

arXiv.org Machine Learning

We introduce NeuralSurv, the first deep survival model to incorporate Bayesian uncertainty quantification. Our non-parametric, architecture-agnostic framework flexibly captures time-varying covariate-risk relationships in continuous time via a novel two-stage data-augmentation scheme, for which we establish theoretical guarantees. For efficient posterior inference, we introduce a mean-field variational algorithm with coordinate-ascent updates that scale linearly in model size. By locally linearizing the Bayesian neural network, we obtain full conjugacy and derive all coordinate updates in closed form. In experiments, NeuralSurv delivers superior calibration compared to state-of-the-art deep survival models, while matching or exceeding their discriminative performance across both synthetic benchmarks and real-world datasets. Our results demonstrate the value of Bayesian principles in data-scarce regimes by enhancing model calibration and providing robust, well-calibrated uncertainty estimates for the survival function.