Quantifying predictive uncertainty is essential for real world machine learning applications, especially in scenarios requiring reliable and interpretable predictions. Many common parametric approaches rely on neural networks to estimate distribution parameters by optimizing the negative log likelihood. However, these methods often encounter challenges like training instability and mode collapse, leading to poor estimates of the mean and variance of the target output distribution. In this work, we propose the Neural Energy Gaussian Mixture Model (NE-GMM), a novel framework that integrates Gaussian Mixture Model (GMM) with Energy Score (ES) to enhance predictive uncertainty quantification. NE-GMM leverages the flexibility of GMM to capture complex multimodal distributions and leverages the robustness of ES to ensure well calibrated predictions in diverse scenarios. We theoretically prove that the hybrid loss function satisfies the properties of a strictly proper scoring rule, ensuring alignment with the true data distribution, and establish generalization error bounds, demonstrating that the model's empirical performance closely aligns with its expected performance on unseen data. Extensive experiments on both synthetic and real world datasets demonstrate the superiority of NE-GMM in terms of both predictive accuracy and uncertainty quantification.

Accurate uncertainty quantification is crucial for making reliable decisions in various supervised learning scenarios, particularly when dealing with complex, multimodal data such as images and text. Current approaches often face notable limitations, including rigid assumptions and limited generalizability, constraining their effectiveness across diverse supervised learning tasks. To overcome these limitations, we introduce Generative Score Inference (GSI), a flexible inference framework capable of constructing statistically valid and informative prediction and confidence sets across a wide range of multimodal learning problems. GSI utilizes synthetic samples generated by deep generative models to approximate conditional score distributions, facilitating precise uncertainty quantification without imposing restrictive assumptions about the data or tasks. We empirically validate GSI's capabilities through two representative scenarios: hallucination detection in large language models and uncertainty estimation in image captioning. Our method achieves state-of-the-art performance in hallucination detection and robust predictive uncertainty in image captioning, and its performance is positively influenced by the quality of the underlying generative model. These findings underscore the potential of GSI as a versatile inference framework, significantly enhancing uncertainty quantification and trustworthiness in multimodal learning.

Probabilistic forecasting provides a principled framework for uncertainty quantification in dynamical systems by representing predictions as probability distributions rather than deterministic trajectories. However, existing forecasting approaches, whether physics-based or neural-network-based, remain fundamentally trajectory-oriented: predictive distributions are usually accessed through ensembles or sampling, rather than evolved directly as dynamical objects. A distribution-to-distribution (D2D) neural probabilistic forecasting framework is developed to operate directly on predictive distributions. The framework introduces a distributional encoding and decoding structure around a replaceable neural forecasting module, using kernel mean embeddings to represent input distributions and mixture density networks to parameterise output predictive distributions. This design enables recursive propagation of predictive uncertainty within a unified end-to-end neural architecture, with model training and evaluation carried out directly in terms of probabilistic forecast skill. The framework is demonstrated on the Lorenz63 chaotic dynamical system. Results show that the D2D model captures nontrivial distributional evolution under nonlinear dynamics, produces skillful probabilistic forecasts without explicit ensemble simulation, and remains competitive with, and in some cases outperforms, a simplified perfect model benchmark. These findings point to a new paradigm for probabilistic forecasting, in which predictive distributions are learned and evolved directly rather than reconstructed indirectly through ensemble-based uncertainty propagation.

There remain theoretical gaps in deep neural network estimators for the nonparametric Cox proportional hazards model. In particular, it is unclear how gradient-based optimization error propagates to population risk under partial likelihood, how pointwise bias can be controlled to permit valid inference, and how ensemble-based uncertainty quantification behaves under realistic variance decay regimes. We develop an asymptotic distribution theory for deep Cox estimators that addresses these issues. First, we establish nonasymptotic oracle inequalities for general trained networks that link in-sample optimization error to population risk without requiring the exact empirical risk optimizer. We then construct a structured neural parameterization that achieves infinity-norm approximation rates compatible with the oracle bound, yielding control of the pointwise bias. Under these conditions and using the Hajek--Hoeffding projection, we prove pointwise and multivariate asymptotic normality for subsampled ensemble estimators. We derive a range of subsample sizes that balances bias correction with the requirement that the Hajek--Hoeffding projection remain dominant. This range accommodates decay conditions on the single-overlap covariance, which measures how strongly a single shared observation influences the estimator, and is weaker than those imposed in the subsampling literature. An infinitesimal jackknife representation provides analytic covariance estimation and valid Wald-type inference for relative risk contrasts such as log-hazard ratios. Finally, we illustrate the finite-sample implications of the theory through simulations and a real data application.

Uncertainty quantification for image data is dominated by complex deep learning methods, yet the field lacks an interpretable, mathematically grounded baseline. We propose Bayesian scattering to fill this gap, serving as a first-step baseline akin to the role of Bayesian linear regression for tabular data. Our method couples the wavelet scattering transform-a deep, non-learned feature extractor-with a simple probabilistic head. Because scattering features are derived from geometric principles rather than learned, they avoid overfitting the training distribution. This helps provide sensible uncertainty estimates even under significant distribution shifts. We validate this on diverse tasks, including medical imaging under institution shift, wealth mapping under country-to-country shift, and Bayesian optimization of molecular properties. Our results suggest that Bayesian scattering is a solid baseline for complex uncertainty quantification methods.

Abstract: We use the law of total variance to generate multiple expansions for the posterior predictive variance. These expansions are sums of terms involving conditional expectations and conditional variances and provide a quantification of the sources of predictive uncertainty. Since the posterior predictive variance is fixed given the model, it represents a constant quantity that is conserved over these expansions. The terms in the expansions can be assessed in absolute or relative sense to understand the main contributors to the length of prediction intervals. We quantify the term-wise uncertainty across expansions varying in the number of terms and the order of conditionates. In particular, given that a specific term in one expansion is small or zero, we identify the other terms in other expansions that must also be small or zero. We illustrate this approach to predictive model assessment in several well-known models. The Setting and Intuition Everyone uses prediction intervals (PI's) but few examine their structure or more precisely how they should be interpreted in the context of a model with multiple components. Often PI's seem overconfident (too narrow) or useless (too wide). Both frequentist and Bayesian practitioners routinely report PI's.

Deploying trustworthy AI systems requires principled uncertainty quantification. Conformal prediction (CP) is a widely used framework for constructing prediction sets with distribution-free coverage guarantees. In many practical settings, including healthcare, finance, and mobile sensing, the calibration data required for CP are distributed across multiple clients, each with its own local data distribution. In this federated setting, data can often be partitioned into, potentially overlapping, groups, which may reflect client-specific strata or cross-cutting attributes such as demographic or semantic categories. We propose group-conditional federated conformal prediction (GC-FCP), a novel protocol that provides group-conditional coverage guarantees. GC-FCP constructs mergeable, group-stratified coresets from local calibration scores, enabling clients to communicate compact weighted summaries that support efficient aggregation and calibration at the server. Experiments on synthetic and real-world datasets validate the performance of GC-FCP compared to centralized calibration baselines.

This paper studies the problem of deriving fast and accurate classification algorithms with uncertainty quantification. Gaussian process classification provides a principled approach, but the corresponding computational burden is hardly sustainable in large-scale problems and devising efficient alternatives is a challenge. In this work, we investigate if and how Gaussian process regression directly applied to classification labels can be used to tackle this question. While in this case training is remarkably faster, predictions need to be calibrated for classification and uncertainty estimation. To this aim, we propose a novel regression approach where the labels are obtained through the interpretation of classification labels as the coefficients of a degenerate Dirichlet distribution. Extensive experimental results show that the proposed approach provides essentially the same accuracy and uncertainty quantification as Gaussian process classification while requiring only a fraction of computational resources.

Credal predictors are models that are aware of epistemic uncertainty and produce a convex set of probabilistic predictions. They offer a principled way to quantify predictive epistemic uncertainty (EU) and have been shown to improve model robustness in various settings. However, most state-of-the-art methods mainly define EU as disagreement caused by random training initializations, which mostly reflects sensitivity to optimization randomness rather than uncertainty from deeper sources. To address this, we define EU as disagreement among models trained with varying relaxations of the i.i.d. assumption between training and test data. Based on this idea, we propose CreDRO, which learns an ensemble of plausible models through distributionally robust optimization. As a result, CreDRO captures EU not only from training randomness but also from meaningful disagreement due to potential distribution shifts between training and test data. Empirical results show that CreDRO consistently outperforms existing credal methods on tasks such as out-of-distribution detection across multiple benchmarks and selective classification in medical applications.