Uncertainty Toolbox: an Open-Source Library for Assessing, Visualizing, and Improving Uncertainty Quantification
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Abstract (arXiv)
With increasing deployment of machine learning systems in various real-world tasks, there is a greater need for accurate quantification of predictive uncertainty. While the common goal in uncertainty quantification (UQ) in machine learning is to approximate the true distribution of the target data, many works in UQ tend to be disjoint in the evaluation metrics utilized, and disparate implementations for each metric lead to numerical results that are not directly comparable across different works. To address this, we introduce Uncertainty Toolbox, an open-source python library that helps to assess, visualize, and improve UQ. Uncertainty Toolbox additionally provides pedagogical resources, such as a glossary of key terms and an organized collection of key paper references. We hope that this toolbox is useful for accelerating and uniting research efforts in uncertainty in machine learning.
Key facts. Cited by 57 papers in the map (data through 7 Oct 2026). Builds on 15 of its 30 references that are in the map. First posted on arXiv 21 Sep 2021.
Builds on
15 of 30 references.
References · 15
- 2017On Calibration of Modern Neural Networkscited by 4,860
- 2016Simple and Scalable Predictive Uncertainty Estimation using Deep Ensemblescited by 3,888
- 2020MOPO: Model-based Offline Policy Optimizationcited by 630
- 2016Inherent Trade-Offs in the Fair Determination of Risk Scorescited by 582
- 2018Accurate Uncertainties for Deep Learning Using Calibrated Regressioncited by 417
- 2018Uncertainty in Neural Networks: Approximately Bayesian Ensemblingcited by 94
- 2019Distribution Calibration for Regressioncited by 88
- 2021Uncertainty Baselines: Benchmarks for Uncertainty & Robustness in Deep Learningcited by 81
- 2020Beyond Pinball Loss: Quantile Methods for Calibrated Uncertainty Quantificationcited by 77
- 2019Reliable training and estimation of variance networkscited by 63
- 2020Individual Calibration with Randomized Forecastingcited by 50
- 2020Calibrated Reliable Regression using Maximum Mean Discrepancycited by 36
3 more
- 2019Calibrated Model-Based Deep Reinforcement Learningcited by 31
- 2017Fast calibrated additive quantile regressioncited by 26
- 2017Calibration for the (Computationally-Identifiable) Massescited by 23
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Citing papers per year: 2021: 1; 2022: 9; 2023: 18; 2024: 14; 2025: 6; 2026: 9.
57 papers.
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- 2022Transformer Neural Processes: Uncertainty-Aware Meta Learning Via Sequence Modelingcited by 126
- 2022NeuralUQ: A comprehensive library for uncertainty quantification in neural differential equations and operatorscited by 33
- 2023Collaborative Multi-Object Tracking with Conformal Uncertainty Propagationcited by 27
- 2023Bayesian Optimization of Catalysis With In-Context Learningcited by 20
- 2022Modular Conformal Calibrationcited by 15
- 2023Fortuna: A Library for Uncertainty Quantification in Deep Learningcited by 14
- 2023Calibration in Machine Learning Uncertainty Quantification: beyond consistency to target adaptivitycited by 13
- 2022Generalizing Bayesian Optimization with Decision-theoretic Entropiescited by 11
- 2022Scalable Bayesian Uncertainty Quantification for Neural Network Potentials: Promise and Pitfallscited by 11
- 2022Uncertainty Quantification for Deep Unrolling-Based Computational Imagingcited by 10
- 2022Instance-Based Uncertainty Estimation for Gradient-Boosted Regression Treescited by 9
- 2023A Benchmark on Uncertainty Quantification for Deep Learning Prognosticscited by 9
38 more
- 2024Full Shot Predictions for the DIII-D Tokamak via Deep Recurrent Networkscited by 9
- 2023Clarifying Trust of Materials Property Predictions using Neural Networks with Distribution-Specific Uncertainty Quantificationcited by 8
- 2024Uncertainty Quantification for Forward and Inverse Problems of PDEs via Latent Global Evolutioncited by 8
- 2024Language Model Embeddings Can Be Sufficient for Bayesian Optimizationcited by 8
- 2023On the role of Model Uncertainties in Bayesian Optimizationcited by 7
- 2025Light-Weight Diffusion Multiplier and Uncertainty Quantification for Fourier Neural Operatorscited by 6
- 2023Algorithmic Censoring in Dynamic Learning Systemscited by 5
- 2022A Survey on Uncertainty Toolkits for Deep Learningcited by 4
- 2023Can bin-wise scaling improve consistency and adaptivity of prediction uncertainty for machine learning regression ?cited by 4
- 2025Torch-Uncertainty: A Deep Learning Framework for Uncertainty Quantificationcited by 4
- 2022Tailored Uncertainty Estimation for Deep Learning Systemscited by 3
- 2023Multi-module based CVAE to predict HVCM faults in the SNS acceleratorcited by 3
- 2024Lightning UQ Box: A Comprehensive Framework for Uncertainty Quantification in Deep Learningcited by 3
- 2025Improved Uncertainty Quantification in Physics-Informed Neural Networks Using Error Bounds and Solution Bundlescited by 3
- 2023Surrogate uncertainty estimation for your time series forecasting black-box: learn when to trustcited by 2
- 2023Parity Calibrationcited by 2
- 2024Uncertainty Aware Tropical Cyclone Wind Speed Estimation from Satellite Datacited by 2
- 2024A Hybrid Probabilistic Battery Health Management Approach for Robust Inspection Drone Operationscited by 2
- 2024Towards certifiable AI in aviation: landscape, challenges, and opportunitiescited by 2
- 2024DeepUQ: Assessing the Aleatoric Uncertainties from two Deep Learning Methodscited by 2
- 2023Distance Preserving Machine Learning for Uncertainty Aware Accelerator Capacitance Predictionscited by 1
- 2023Uncertainty Quantification for Image-based Traffic Prediction across Citiescited by 1
- 2023Challenges in data-based geospatial modeling for environmental research and practicecited by 1
- 2023Leveraging Uncertainty Estimates To Improve Classifier Performancecited by 1
- 2024Towards a Probabilistic Fusion Approach for Robust Battery Prognosticscited by 1
- 2024A Decision-driven Methodology for Designing Uncertainty-aware AI Self-Assessmentcited by 1
- 2024Data-Driven Gradient Optimization for Field Emission Management in a Superconducting Radio-Frequency Linaccited by 1
- 2025Evaluating the Quality of the Quantified Uncertainty for (Re)Calibration of Data-Driven Regression Modelscited by 1
- 2021Diffusion Tensor Estimation with Uncertainty Calibrationcited by 0
- 2023Ensemble models outperform single model uncertainties and predictions for operator-learning of hypersonic flowscited by 0
- 2023Meta-learning to Calibrate Gaussian Processes with Deep Kernels for Regression Uncertainty Estimationcited by 0
- 2024Robust Calibration For Improved Weather Prediction Under Distributional Shiftcited by 0
- 2024Uncertainty Quantification in Alzheimer's Disease Progression Modelingcited by 0
- 2024Prediction Accuracy & Reliability: Classification and Object Localization under Distribution Shiftcited by 0
- 2025Uncertainty Guided Online Ensemble for Non-stationary Data Streams in Fusion Sciencecited by 0
- 2025Designing an Optimal Sensor Network via Minimizing Information Losscited by 0
- 2026A Critical Examination of Active Learning Workflows in Materials Sciencecited by 0
- 2026Self-Supervised Uncertainty Estimation For Super-Resolution of Satellite Imagescited by 0
50 most cited of 57 All 57 (JSON)
- 2026Bayesian Filtering in Physical Systems via Test-time Trained Flow Matching20 Sep 2026
- 2026Real-Time Plasma State Prediction via FPGA-Accelerated Quantized Recurrent Probabilistic Neural Networks19 Sep 2026
- 2026Round-Trip Consistency: Bidirectional Diffusion Models Can Predict Their Own Rollout Errors1 Aug 2026
- 2026Trustworthy Protein-Ligand Binding Affinity Prediction via Reliability-Aware Multi-Engine Fusion20 Jul 2026
- 2026Modelling magnetic material properties with uncertainty-aware neural networks10 Jun 2026
- 2026Supervised Distributional Reduction via Optimal Transport and Dependence Maximization26 May 2026
- 2026Uncertainty-quantified Pulse Signal Recovery from Facial Video using Regularized Stochastic Interpolants12 Apr 2026
- 2026Self-Supervised Uncertainty Estimation For Super-Resolution of Satellite Images14 Mar 2026
- 2026A Critical Examination of Active Learning Workflows in Materials Science9 Jan 2026
- 2025Designing an Optimal Sensor Network via Minimizing Information Loss5 Dec 2025
- 2025Torch-Uncertainty: A Deep Learning Framework for Uncertainty Quantification13 Nov 2025
- 2025Uncertainty Guided Online Ensemble for Non-stationary Data Streams in Fusion Science3 Nov 2025
38 more
- 2025Evaluating the Quality of the Quantified Uncertainty for (Re)Calibration of Data-Driven Regression Models25 Aug 2025
- 2025Light-Weight Diffusion Multiplier and Uncertainty Quantification for Fourier Neural Operators1 Aug 2025
- 2025Improved Uncertainty Quantification in Physics-Informed Neural Networks Using Error Bounds and Solution Bundles9 May 2025
- 2024DeepUQ: Assessing the Aleatoric Uncertainties from two Deep Learning Methods13 Nov 2024
- 2024Data-Driven Gradient Optimization for Field Emission Management in a Superconducting Radio-Frequency Linac11 Nov 2024
- 2024Language Model Embeddings Can Be Sufficient for Bayesian Optimization14 Oct 2024
- 2024Lightning UQ Box: A Comprehensive Framework for Uncertainty Quantification in Deep Learning4 Oct 2024
- 2024Towards certifiable AI in aviation: landscape, challenges, and opportunities13 Sep 2024
- 2024Prediction Accuracy & Reliability: Classification and Object Localization under Distribution Shift5 Sep 2024
- 2024Uncertainty Quantification in Alzheimer's Disease Progression Modeling13 Aug 2024
- 2024A Decision-driven Methodology for Designing Uncertainty-aware AI Self-Assessment2 Aug 2024
- 2024Towards a Probabilistic Fusion Approach for Robust Battery Prognostics24 May 2024
- 2024A Hybrid Probabilistic Battery Health Management Approach for Robust Inspection Drone Operations24 Apr 2024
- 2024Full Shot Predictions for the DIII-D Tokamak via Deep Recurrent Networks18 Apr 2024
- 2024Uncertainty Aware Tropical Cyclone Wind Speed Estimation from Satellite Data12 Apr 2024
- 2024Uncertainty Quantification for Forward and Inverse Problems of PDEs via Latent Global Evolution13 Feb 2024
- 2024Robust Calibration For Improved Weather Prediction Under Distributional Shift8 Jan 2024
- 2023Meta-learning to Calibrate Gaussian Processes with Deep Kernels for Regression Uncertainty Estimation13 Dec 2023
- 2023Leveraging Uncertainty Estimates To Improve Classifier Performance20 Nov 2023
- 2023Challenges in data-based geospatial modeling for environmental research and practice18 Nov 2023
- 2023Ensemble models outperform single model uncertainties and predictions for operator-learning of hypersonic flows31 Oct 2023
- 2023Can bin-wise scaling improve consistency and adaptivity of prediction uncertainty for machine learning regression ?18 Oct 2023
- 2023Calibration in Machine Learning Uncertainty Quantification: beyond consistency to target adaptivity12 Sep 2023
- 2023Uncertainty Quantification for Image-based Traffic Prediction across Cities11 Aug 2023
- 2023Distance Preserving Machine Learning for Uncertainty Aware Accelerator Capacitance Predictions5 Jul 2023
- 2023Parity Calibration29 May 2023
- 2023Algorithmic Censoring in Dynamic Learning Systems15 May 2023
- 2023Multi-module based CVAE to predict HVCM faults in the SNS accelerator20 Apr 2023
- 2023Bayesian Optimization of Catalysis With In-Context Learning11 Apr 2023
- 2023Collaborative Multi-Object Tracking with Conformal Uncertainty Propagation25 Mar 2023
- 2023A Benchmark on Uncertainty Quantification for Deep Learning Prognostics9 Feb 2023
- 2023Fortuna: A Library for Uncertainty Quantification in Deep Learning8 Feb 2023
- 2023Surrogate uncertainty estimation for your time series forecasting black-box: learn when to trust6 Feb 2023
- 2023Clarifying Trust of Materials Property Predictions using Neural Networks with Distribution-Specific Uncertainty Quantification6 Feb 2023
- 2023On the role of Model Uncertainties in Bayesian Optimization14 Jan 2023
- 2022Scalable Bayesian Uncertainty Quantification for Neural Network Potentials: Promise and Pitfalls15 Dec 2022
- 2022Generalizing Bayesian Optimization with Decision-theoretic Entropies4 Oct 2022
- 2022NeuralUQ: A comprehensive library for uncertainty quantification in neural differential equations and operators25 Aug 2022
50 newest of 57 All 57 (JSON)
- 2022Transformer Neural Processes: Uncertainty-Aware Meta Learning Via Sequence Modelingcited by 126
- 2022NeuralUQ: A comprehensive library for uncertainty quantification in neural differential equations and operatorscited by 33
- 2023Collaborative Multi-Object Tracking with Conformal Uncertainty Propagationcited by 27
- 2023Bayesian Optimization of Catalysis With In-Context Learningcited by 20
- 2022Modular Conformal Calibrationcited by 15
- 2023Fortuna: A Library for Uncertainty Quantification in Deep Learningcited by 14
- 2023Calibration in Machine Learning Uncertainty Quantification: beyond consistency to target adaptivitycited by 13
- 2022Generalizing Bayesian Optimization with Decision-theoretic Entropiescited by 11
- 2022Scalable Bayesian Uncertainty Quantification for Neural Network Potentials: Promise and Pitfallscited by 11
- 2022Uncertainty Quantification for Deep Unrolling-Based Computational Imagingcited by 10
- 2022Instance-Based Uncertainty Estimation for Gradient-Boosted Regression Treescited by 9
- 2023A Benchmark on Uncertainty Quantification for Deep Learning Prognosticscited by 9
12 most cited of 55 All 55 (JSON)
- 2026Real-Time Plasma State Prediction via FPGA-Accelerated Quantized Recurrent Probabilistic Neural Networks19 Sep 2026
- 2026Trustworthy Protein-Ligand Binding Affinity Prediction via Reliability-Aware Multi-Engine Fusion20 Jul 2026
- 2026Modelling magnetic material properties with uncertainty-aware neural networks10 Jun 2026
- 2026Supervised Distributional Reduction via Optimal Transport and Dependence Maximization26 May 2026
- 2026Uncertainty-quantified Pulse Signal Recovery from Facial Video using Regularized Stochastic Interpolants12 Apr 2026
- 2026Self-Supervised Uncertainty Estimation For Super-Resolution of Satellite Images14 Mar 2026
- 2026A Critical Examination of Active Learning Workflows in Materials Science9 Jan 2026
- 2025Designing an Optimal Sensor Network via Minimizing Information Loss5 Dec 2025
- 2025Torch-Uncertainty: A Deep Learning Framework for Uncertainty Quantification13 Nov 2025
- 2025Uncertainty Guided Online Ensemble for Non-stationary Data Streams in Fusion Science3 Nov 2025
- 2025Evaluating the Quality of the Quantified Uncertainty for (Re)Calibration of Data-Driven Regression Models25 Aug 2025
- 2025Light-Weight Diffusion Multiplier and Uncertainty Quantification for Fourier Neural Operators1 Aug 2025
12 newest of 55 All 55 (JSON)