uncertainty decomposition
A principled framework for uncertainty decomposition in TabPFN
Fortini, Sandra, Ng, Kenyon, Petrone, Sonia, Rousseau, Judith, Wei, Susan
TabPFN is a transformer that achieves state-of-the-art performance on supervised tabular tasks by amortizing Bayesian prediction into a single forward pass. However, there is currently no method for uncertainty decomposition in TabPFN. Because it behaves, in an idealised limit, as a Bayesian in-context learner, we cast the decomposition challenge as a Bayesian predictive inference (BPI) problem. The main computational tool in BPI, predictive Monte Carlo, is challenging to apply here as it requires simulating unmodeled covariates. We therefore pursue the asymptotic alternative, filling a gap in the theory for supervised settings by proving a predictive CLT under quasi-martingale conditions. We derive variance estimators determined by the volatility of predictive updates along the context. The resulting credible bands are fast to compute, target epistemic uncertainty, and achieve near-nominal frequentist coverage. For classification, we further obtain an entropy-based uncertainty decomposition.
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Fine-Grained Uncertainty Decomposition in Large Language Models: A Spectral Approach
Walha, Nassim, Gruber, Sebastian G., Decker, Thomas, Yang, Yinchong, Javanmardi, Alireza, Hüllermeier, Eyke, Buettner, Florian
As Large Language Models (LLMs) are increasingly integrated in diverse applications, obtaining reliable measures of their predictive uncertainty has become critically important. A precise distinction between aleatoric uncertainty, arising from inherent ambiguities within input data, and epistemic uncertainty, originating exclusively from model limitations, is essential to effectively address each uncertainty source. In this paper, we introduce Spectral Uncertainty, a novel approach to quantifying and decomposing uncertainties in LLMs. Leveraging the V on Neumann entropy from quantum information theory, Spectral Uncertainty provides a rigorous theoretical foundation for separating total uncertainty into distinct aleatoric and epistemic components. Unlike existing baseline methods, our approach incorporates a fine-grained representation of semantic similarity, enabling nuanced differentiation among various semantic interpretations in model responses. Empirical evaluations demonstrate that Spectral Uncertainty outperforms state-of-the-art methods in estimating both aleatoric and total uncertainty across diverse models and benchmark datasets.
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Calibrated Decomposition of Aleatoric and Epistemic Uncertainty in Deep Features for Inference-Time Adaptation
Kumar, Divake, Poggi, Patrick, Tayebati, Sina, Naik, Devashri, Ahuja, Nilesh, Trivedi, Amit Ranjan
Most estimators collapse all uncertainty modes into a single confidence score, preventing reliable reasoning about when to allocate more compute or adjust inference. W e introduce Uncertainty-Guided Inference-Time Selection, a lightweight inference time framework that disentangles aleatoric (data-driven) and epistemic (model-driven) uncertainty directly in deep feature space. Aleatoric uncertainty is estimated using a regularized global density model, while epistemic uncertainty is formed from three complementary components that capture local support deficiency, manifold spectral collapse, and cross-layer feature inconsistency. These components are empirically orthogonal and require no sampling, no ensembling, and no additional forward passes. W e integrate the decomposed uncertainty into a distribution free conformal calibration procedure that yields significantly tighter prediction intervals at matched coverage. Using these components for uncertainty guided adaptive model selection reduces compute by approximately 60 percent on MOT17 with negligible accuracy loss, enabling practical self regulating visual inference. Additionally, our ablation results show that the proposed orthogonal uncertainty decomposition consistently yields higher computational savings across all MOT17 sequences, improving margins by 13.6 percentage points over the total-uncertainty baseline.
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Uncertainty Estimation using Variance-Gated Distributions
Gillis, H. Martin, Xu, Isaac, Trappenberg, Thomas
Evaluation of per-sample uncertainty quantification from neural networks is essential for decision-making involving high-risk applications. A common approach is to use the predictive distribution from Bayesian or approximation models and decompose the corresponding predictive uncertainty into epistemic (model-related) and aleatoric (data-related) components. However, additive decomposition has recently been questioned. In this work, we propose an intuitive framework for uncertainty estimation and decomposition based on the signal-to-noise ratio of class probability distributions across different model predictions. We introduce a variance-gated measure that scales predictions by a confidence factor derived from ensembles. We use this measure to discuss the existence of a collapse in the diversity of committee machines.
Variational Uncertainty Decomposition for In-Context Learning
Jayasekera, I. Shavindra, Si, Jacob, Chen, Wenlong, Valdettaro, Filippo, Faisal, A. Aldo, Li, Yingzhen
As large language models (LLMs) gain popularity in conducting prediction tasks in-context, understanding the sources of uncertainty in in-context learning becomes essential to ensuring reliability. The recent hypothesis of in-context learning performing predictive Bayesian inference opens the avenue for Bayesian uncertainty estimation, particularly for decomposing uncertainty into epistemic uncertainty due to lack of in-context data and aleatoric uncertainty inherent in the in-context prediction task. However, the decomposition idea remains under-explored due to the intractability of the latent parameter posterior from the underlying Bayesian model. In this work, we introduce a variational uncertainty decomposition framework for in-context learning without explicitly sampling from the latent parameter posterior, by optimising auxiliary queries as probes to obtain an upper bound to the aleatoric uncertainty of an LLM's in-context learning procedure, which also induces a lower bound to the epistemic uncertainty. Through experiments on synthetic and real-world tasks, we show quantitatively and qualitatively that the decomposed uncertainties obtained from our method exhibit desirable properties of epistemic and aleatoric uncertainty.
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Provable Uncertainty Decomposition via Higher-Order Calibration
Ahdritz, Gustaf, Gollakota, Aravind, Gopalan, Parikshit, Peale, Charlotte, Wieder, Udi
We give a principled method for decomposing the predictive uncertainty of a model into aleatoric and epistemic components with explicit semantics relating them to the real-world data distribution. While many works in the literature have proposed such decompositions, they lack the type of formal guarantees we provide. Our method is based on the new notion of higher-order calibration, which generalizes ordinary calibration to the setting of higher-order predictors that predict mixtures over label distributions at every point. We show how to measure as well as achieve higher-order calibration using access to $k$-snapshots, namely examples where each point has $k$ independent conditional labels. Under higher-order calibration, the estimated aleatoric uncertainty at a point is guaranteed to match the real-world aleatoric uncertainty averaged over all points where the prediction is made. To our knowledge, this is the first formal guarantee of this type that places no assumptions whatsoever on the real-world data distribution. Importantly, higher-order calibration is also applicable to existing higher-order predictors such as Bayesian and ensemble models and provides a natural evaluation metric for such models. We demonstrate through experiments that our method produces meaningful uncertainty decompositions for image classification.
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Uncertainty Decomposition and Error Margin Detection of Homodyned-K Distribution in Quantitative Ultrasound
Ameri, Dorsa, Tehrani, Ali K. Z., Rosado-Mendez, Ivan M., Rivaz, Hassan
Homodyned K-distribution (HK-distribution) parameter estimation in quantitative ultrasound (QUS) has been recently addressed using Bayesian Neural Networks (BNNs). BNNs have been shown to significantly reduce computational time in speckle statistics-based QUS without compromising accuracy and precision. Additionally, they provide estimates of feature uncertainty, which can guide the clinician's trust in the reported feature value. The total predictive uncertainty in Bayesian modeling can be decomposed into epistemic (uncertainty over the model parameters) and aleatoric (uncertainty inherent in the data) components. By decomposing the predictive uncertainty, we can gain insights into the factors contributing to the total uncertainty. In this study, we propose a method to compute epistemic and aleatoric uncertainties for HK-distribution parameters ($\alpha$ and $k$) estimated by a BNN, in both simulation and experimental data. In addition, we investigate the relationship between the prediction error and both uncertainties, shedding light on the interplay between these uncertainties and HK parameters errors.
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Introduction and Exemplars of Uncertainty Decomposition
Uncertainty plays a crucial role in the machine learning field. Both model trustworthiness and performance require the understanding of uncertainty, especially for models used in high-stake applications where errors can cause cataclysmic consequences, such as medical diagnosis and autonomous driving. Accordingly, uncertainty decomposition and quantification have attracted more and more attention in recent years. This short report aims to demystify the notion of uncertainty decomposition through an introduction to two types of uncertainty and several decomposition exemplars, including maximum likelihood estimation, Gaussian processes, deep neural network, and ensemble learning. In the end, cross connections to other topics in this seminar and two conclusions are provided.
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Uncertainty Decomposition in Bayesian Neural Networks with Latent Variables
Depeweg, Stefan, Hernández-Lobato, José Miguel, Doshi-Velez, Finale, Udluft, Steffen
Bayesian neural networks (BNNs) with latent variables are probabilistic models which can automatically identify complex stochastic patterns in the data. We describe and study in these models a decomposition of predictive uncertainty into its epistemic and aleatoric components. First, we show how such a decomposition arises naturally in a Bayesian active learning scenario by following an information theoretic approach. Second, we use a similar decomposition to develop a novel risk sensitive objective for safe reinforcement learning (RL). This objective minimizes the effect of model bias in environments whose stochastic dynamics are described by BNNs with latent variables. Our experiments illustrate the usefulness of the resulting decomposition in active learning and safe RL settings.
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