Multidimensional Uncertainty Quantification via Optimal Transport
- URL: http://arxiv.org/abs/2509.22380v1
- Date: Fri, 26 Sep 2025 14:09:03 GMT
- Title: Multidimensional Uncertainty Quantification via Optimal Transport
- Authors: Nikita Kotelevskii, Maiya Goloburda, Vladimir Kondratyev, Alexander Fishkov, Mohsen Guizani, Eric Moulines, Maxim Panov,
- Abstract summary: We take a multidimensional view on uncertainty quantification (UQ) by stacking complementary UQ measures into a vector.<n>VecUQ-OT shows high efficiency even when individual measures fail.
- Score: 87.97146725546502
- License: http://creativecommons.org/licenses/by/4.0/
- Abstract: Most uncertainty quantification (UQ) approaches provide a single scalar value as a measure of model reliability. However, different uncertainty measures could provide complementary information on the prediction confidence. Even measures targeting the same type of uncertainty (e.g., ensemble-based and density-based measures of epistemic uncertainty) may capture different failure modes. We take a multidimensional view on UQ by stacking complementary UQ measures into a vector. Such vectors are assigned with Monge-Kantorovich ranks produced by an optimal-transport-based ordering method. The prediction is then deemed more uncertain than the other if it has a higher rank. The resulting VecUQ-OT algorithm uses entropy-regularized optimal transport. The transport map is learned on vectors of scores from in-distribution data and, by design, applies to unseen inputs, including out-of-distribution cases, without retraining. Our framework supports flexible non-additive uncertainty fusion (including aleatoric and epistemic components). It yields a robust ordering for downstream tasks such as selective prediction, misclassification detection, out-of-distribution detection, and selective generation. Across synthetic, image, and text data, VecUQ-OT shows high efficiency even when individual measures fail. The code for the method is available at: https://github.com/stat-ml/multidimensional_uncertainty.
Related papers
- Variance-Gated Ensembles: An Epistemic-Aware Framework for Uncertainty Estimation [0.6340400318304492]
Variance-Gated Ensembles (VGE) is an intuitive framework that injects epistemic sensitivity via a signal-to-noise gate computed from ensemble statistics.<n>We derive closed-form vector-Jacobian products enabling end-to-end training through ensemble sample mean and variance.
arXiv Detail & Related papers (2026-02-08T22:05:23Z) - Beyond Uncertainty Sets: Leveraging Optimal Transport to Extend Conformal Predictive Distribution to Multivariate Settings [0.14504054468850666]
Conformal prediction (CP) constructs uncertainty sets for model outputs with finite-sample coverage guarantees.<n>We show that optimal assignment is piecewise-constant across a fixed polyhedral partition of the score space.<n>This allows us to characterize the entire prediction set tractably, and provides the machinery to address a deeper limitation of prediction sets.
arXiv Detail & Related papers (2025-11-19T05:59:01Z) - Inv-Entropy: A Fully Probabilistic Framework for Uncertainty Quantification in Language Models [5.6672926445919165]
Large language models (LLMs) have transformed natural language processing, but their reliable deployment requires effective uncertainty quantification (UQ)<n>Existing UQ methods are often and lack a probabilistic foundation.<n>We propose a fully probabilistic framework based on an inverse model, which quantifies uncertainty by evaluating the diversity of the input space conditioned on a given output through systematic perturbations.
arXiv Detail & Related papers (2025-06-11T13:02:17Z) - Uncertainty Estimation and Out-of-Distribution Detection for LiDAR Scene Semantic Segmentation [0.6144680854063939]
Safe navigation in new environments requires autonomous vehicles and robots to accurately interpret their surroundings.
We propose a method to distinguish in-distribution (ID) from out-of-distribution (OOD) samples.
We quantify both epistemic and aleatoric uncertainties using the feature space of a single deterministic model.
arXiv Detail & Related papers (2024-10-11T10:19:24Z) - Awareness of uncertainty in classification using a multivariate model and multi-views [1.3048920509133808]
The proposed model regularizes uncertain predictions, and trains to calculate both the predictions and their uncertainty estimations.
Given the multi-view predictions together with their uncertainties and confidences, we proposed several methods to calculate final predictions.
The proposed methodology was tested using CIFAR-10 dataset with clean and noisy labels.
arXiv Detail & Related papers (2024-04-16T06:40:51Z) - What is Flagged in Uncertainty Quantification? Latent Density Models for
Uncertainty Categorization [68.15353480798244]
Uncertainty Quantification (UQ) is essential for creating trustworthy machine learning models.
Recent years have seen a steep rise in UQ methods that can flag suspicious examples.
We propose a framework for categorizing uncertain examples flagged by UQ methods in classification tasks.
arXiv Detail & Related papers (2022-07-11T19:47:00Z) - NUQ: Nonparametric Uncertainty Quantification for Deterministic Neural
Networks [151.03112356092575]
We show the principled way to measure the uncertainty of predictions for a classifier based on Nadaraya-Watson's nonparametric estimate of the conditional label distribution.
We demonstrate the strong performance of the method in uncertainty estimation tasks on a variety of real-world image datasets.
arXiv Detail & Related papers (2022-02-07T12:30:45Z) - Meta Learning Low Rank Covariance Factors for Energy-Based Deterministic
Uncertainty [58.144520501201995]
Bi-Lipschitz regularization of neural network layers preserve relative distances between data instances in the feature spaces of each layer.
With the use of an attentive set encoder, we propose to meta learn either diagonal or diagonal plus low-rank factors to efficiently construct task specific covariance matrices.
We also propose an inference procedure which utilizes scaled energy to achieve a final predictive distribution.
arXiv Detail & Related papers (2021-10-12T22:04:19Z) - A Gentle Introduction to Conformal Prediction and Distribution-Free
Uncertainty Quantification [1.90365714903665]
This hands-on introduction is aimed at a reader interested in the practical implementation of distribution-free UQ.
We will include many explanatory illustrations, examples, and code samples in Python, with PyTorch syntax.
arXiv Detail & Related papers (2021-07-15T17:59:50Z) - Modeling Sequences as Distributions with Uncertainty for Sequential
Recommendation [63.77513071533095]
Most existing sequential methods assume users are deterministic.
Item-item transitions might fluctuate significantly in several item aspects and exhibit randomness of user interests.
We propose a Distribution-based Transformer Sequential Recommendation (DT4SR) which injects uncertainties into sequential modeling.
arXiv Detail & Related papers (2021-06-11T04:35:21Z) - Multivariate Probabilistic Regression with Natural Gradient Boosting [63.58097881421937]
We propose a Natural Gradient Boosting (NGBoost) approach based on nonparametrically modeling the conditional parameters of the multivariate predictive distribution.
Our method is robust, works out-of-the-box without extensive tuning, is modular with respect to the assumed target distribution, and performs competitively in comparison to existing approaches.
arXiv Detail & Related papers (2021-06-07T17:44:49Z) - Distribution-free uncertainty quantification for classification under
label shift [105.27463615756733]
We focus on uncertainty quantification (UQ) for classification problems via two avenues.
We first argue that label shift hurts UQ, by showing degradation in coverage and calibration.
We examine these techniques theoretically in a distribution-free framework and demonstrate their excellent practical performance.
arXiv Detail & Related papers (2021-03-04T20:51:03Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.