This paper examines sources of uncertainty in machine learning from a statistical perspective.
problem Quantifying uncertainty in supervised machine learning models.
method A conceptual, basic science approach examining aleatoric and epistemic uncertainty.
result Sources of uncertainty are diverse and cannot always be decomposed into aleatoric and epistemic.
Teaches uncertainty in ML through practical examples.
problem Lack of uncertainty teaching in ML curricula.
method Developed a curriculum and use cases.
result Motivates adoption of uncertainty concepts in AI courses.
Uncertainty Toolbox aids in assessing and improving uncertainty quantification in machine learning.
problem Disparate evaluation metrics and implementations hinder direct comparison of uncertainty quantification results.
method Provides an open-source Python library for assessing, visualizing, and improving uncertainty quantification.
result Facilitates more accurate and comparable uncertainty quantification across different works.
Improved asset pricing using uncertainty-adjusted sorting in machine learning models.
problem Ignoring asset-specific estimation uncertainty in portfolio construction.
method Uncertainty-adjusted prediction bounds for sorting assets.
result Improves portfolio performance across various ML models and equity panels.
Uncertainty modeling for dynamical systems
problem Uncertainty modeling for dynamical systems
method Discussing sources of uncertainty, their nature, and task-specific objectives
result Identifying the types of uncertainty needed for dynamical systems
The notion of uncertainty is of major importance in machine learning and constitutes a key element of machine learning methodology. In line with the statistical tradition, uncertainty has long been perceived as almost synonymous with standard probability and probabilistic predictions. Yet, due to the steadily increasin…
Proposes linking energy and force uncertainty in deep learning potentials.
problem Uncertainty in predicted energies and forces in machine learning models.
method Introduces a spatially correlated noise process to link energy and force uncertainty.
result Demonstrates the approach on molecular datasets, linking energy and force uncertainties.
New methods improve uncertainty in machine learning predictions for asset returns.
problem Uncertainty in machine learning predictions for asset returns.
method Developed new methods to construct forecast confidence intervals for expected returns from neural networks.
result Neural network forecasts of expected returns have the same asymptotic distribution as classic nonparametric methods, enabling standard error calculation.
DER uses neural nets to better handle uncertainty in machine learning.
problem Need for principled uncertainty reasoning in safety-critical domains.
method Uncertainty-aware regression-based neural networks (NNs) with evidential distributions.
result DER shows promise over traditional methods but is a heuristic.
New bin-wise scaling methods improve prediction uncertainty calibration for machine learning.
problem Improving prediction uncertainty calibration for machine learning regression.
method Adaptations of Binwise Variance Scaling (BVS) with alternative loss functions and feature-based binning.
result Improved adaptivity and consistency in prediction uncertainty calibration.
The paper introduces new measures for quantifying uncertainty in machine learning.
problem Uncertainty representation and quantification in machine learning.
method Proper scoring rules for aleatoric and epistemic uncertainty quantification.
result Established a natural bridge between credal set and second-order distribution representations of uncertainty.
Paper quantifies uncertainty in probabilistic models using Gaussian Processes.
problem Assessing reliability of probabilistic machine learning predictions.
method Systematic framework for estimating epistemic and aleatoric uncertainty, using Gaussian Processes and Monte Carlo sampling.
result Effective approach for quantifying prediction confidence in probabilistic models.
Bayesian parametric matrix models provide uncertainty quantification for spectral learning.
problem Uncertainty quantification in spectral learning for safety-critical applications.
method Bayesian parametric matrix models (B-PMMs) that extend PMMs to provide uncertainty estimates.
result B-PMMs achieve exceptional uncertainty calibration (ECE < 0.05) while maintaining favorable scaling.
Bayesian autoencoders quantify anomaly uncertainty for safer machine learning.
problem Lack of uncertainty quantification in autoencoders for anomaly detection.
method Formulated Bayesian autoencoders to quantify epistemic and aleatoric anomalies.
result Demonstrated effectiveness of BAEs on benchmark and real datasets.
The volume of a credal set correlates with epistemic uncertainty in binary classification but not in multi-class.
problem Representing and quantifying epistemic uncertainty in machine learning.
method Examined the geometric representation of credal sets as d-dimensional polytopes and their volume as a measure of uncertainty. result The volume of a credal set is a meaningful measure of epistemic uncertainty in binary classification but not in multi-class.
Unified taxonomy for ML uncertainty in physics, validated.
problem Uncertainty quantification in machine learning for physics.
method Unified taxonomy, principled validation tools.
result Illustrated validation tools with examples.
The study explores machine learning for predicting customer propensity-to-pay uncertainty.
problem Improving customer experience, reducing financial hardship, and managing cash flow risks.
method Investigated machine learning models for predicting propensity-to-pay, focusing on uncertainty estimation.
result Novel Bayesian Neural Network model for binary classification of propensity-to-pay.
Paper develops robust SVM classifiers for uncertain data.
problem Sensitivity of SVM classifiers to data uncertainty.
method Two probabilistic approaches: Single Perturbation and Extreme Empirical Loss.
result Both methods reduce data uncertainty effects efficiently.
The paper derives uncertainty quantification for ML models used in metrology.
problem Uncertainty quantification for ML models in metrology applications.
method Analytical expressions for mean and variance of model output are derived for various ML models.
result The derived expressions cover multiple ML models and are validated against Monte Carlo methods.
The paper argues that uncertainty quantification in ML is application-specific and proposes a flexible family of measures.
problem The need for proper uncertainty quantification in machine learning for safety-critical applications.
method A flexible family of uncertainty measures tailored to specific applications, using proper scoring rules to control characteristics.
result Different uncertainty measures are more suitable for different tasks (e.g., selective prediction, out-of-distribution detection, active learning).
Bayesian optimization reduces materials design costs by 10x.
problem Expensive materials design search space with mixed variables.
method Uncertainty-aware machine learning models for mixed numerical and categorical variables.
result Frequentist and Bayesian models perform differently in mixed-variable BO.
Survey on uncertainty in ML and DL, covering sources, quantification, and decision-making.
problem Understanding and quantifying uncertainty in ML and DL for risk-sensitive applications.
method Structured review of literature, categorizing uncertainty, assessing uncertainty quantification techniques.
result Broadened scope of uncertainty discussion and updated DL uncertainty quantification methods.
A new framework for measuring uncertainty in machine learning models.
problem Uncertainty measures for second-order distributions in machine learning models have theoretical flaws.
method Formal criteria and a general framework based on the Wasserstein distance.
result The Wasserstein distance-based measure satisfies all proposed criteria for meaningful uncertainty measures.
A new method estimates uncertainty without explicit prediction models.
problem Costly data acquisition in machine learning.
method Distance-weighted Class Impurity method for uncertainty estimation.
result Distance-weighted Class Impurity effectively estimates uncertainty without prediction models.
Clarifies challenges in machine learning uncertainty quantification.
problem Inconsistent terminology and diverse technical requirements for trustworthy uncertainties.
method Examines estimation targets, uncertainty constructs, and problematic mappings.
result Advocates for alignment between intent and implementation in UQ.
A new framework uses uncertainty to learn from raw data without explicit models.
problem Limitations of traditional machine learning models and lack of interpretability.
method Introduces a model-free framework using surprisal (information theoretic uncertainty) to analyze and infer from raw data.
result Achieves at or near state-of-the-art performance across various machine learning tasks.
Isotonic regression binning affects calibration statistics of machine learning models.
problem Isotonic regression binning introduces aleatoric uncertainty in calibration statistics.
method Calibration error statistics are recalibrated using isotonic regression, which produces stratified uncertainties.
result Stratified uncertainties lead to significant differences in bin-based calibration statistics.
Study evaluates machine learning methods for uncertainty quantification in complex systems.
problem Accurately quantify epistemic and aleatoric uncertainties in complex dynamical systems.
method Examined Gaussian processes, UQ-augmented neural networks (ENN, BNN, D-NN, G-NN) on two model data sets.
result Concluded on model architecture and hyperparameter tuning for improved UQ accuracy.
This study introduces axioms to assess regression uncertainty measures.
problem Limited formal justification and evaluations of uncertainty measures in regression settings.
method Introduces axioms and analyzes entropy- and variance-based measures in a predictive exponential family context.
result Provides a principled foundation for reliable uncertainty assessment in regression.
SVGP KAN integrates uncertainty quantification into Kolmogorov-Arnold networks.
problem Uncertainty quantification in scientific machine learning models.
method Sparse variational Gaussian process inference with Kolmogorov-Arnold topology.
result Demonstrated ability to distinguish aleatoric and epistemic uncertainty in various scientific applications.
Paper shows how to quantify uncertainty in medical ML models.
problem Uncertainty in opaque ML models can lead to safety risks in medical applications.
method Introduces Uncertainty Wrapper to quantify uncertainty transparently.
result Demonstrates practical utility of Uncertainty Wrapper in flow cytometry.
Study quantifies distribution shifts and uncertainties to improve machine learning model robustness.
problem Distribution shifts between training and test datasets impact model generalization and robustness.
method Synthetic data generation and quantitative measures (KL divergence, JS distance, Mahalanobis distance) to assess data similarity and model uncertainty.
result Utilizing statistical measures like Mahalanobis distance helps assess distribution shift and model uncertainty.
AI can learn true probabilities if data and assumptions align.
problem Understanding when AI models can accurately represent true objective probabilities.
method Proved conditions under which AI can learn true probabilities.
result Conditions for learning true probabilities are identified.
New method uses backward SDEs for deep learning uncertainty.
problem Uncertainty quantification in deep learning models.
method Probabilistic machine learning with stochastic neural networks and stochastic optimal control.
result Effectiveness validated through numerical experiments.
IUPM monitors machine learning models under gradual shifts using optimal transport and active labeling.
problem Gradual distribution shifts lead to unnoticed accuracy declines in machine learning models.
method Incremental Uncertainty-aware Performance Monitoring (IUPM) using optimal transport and active labeling.
result IUPM outperforms existing baselines in gradual shift scenarios and guides label acquisition more effectively.
Flexible evidential deep learning improves uncertainty quantification in machine learning.
problem Overconfident predictions in machine learning models can lead to serious consequences.
method Proposes flexible evidential deep learning (F-EDL) to model uncertainty over class probabilities using a flexible Dirichlet distribution.
result Empirically demonstrates state-of-the-art uncertainty quantification performance across diverse scenarios.
Quantifying and managing uncertainties that occur when data-driven models such as those provided by AI and machine learning methods are applied is crucial. This whitepaper provides a brief motivation and first overview of the state of the art in identifying and quantifying sources of uncertainty for data-driven compone…
The paper highlights the importance of model misspecification in uncertainty estimation.
problem The reliability of uncertainty estimates in machine learning models under model misspecification.
method Thought experiments and literature review.
result Model misspecification should be given more attention in uncertainty estimation.
Improved measure of predictive uncertainty for machine learning models.
problem Current measure of predictive uncertainty assumes BMA predictive distribution is equivalent to true model's distribution.
method Introduced a new measure based on information theory to correct the assumption.
result Our measure behaves more reasonably in synthetic tasks and is advantageous in real-world applications.
New method for PINNs uncertainty quantification without prior distribution.
problem Lack of reliable uncertainty quantification for PINNs.
method Extended fiducial inference with narrow-neck hyper-network.
result Construction of honest confidence sets based on observed data.
Develops a framework to quantify uncertainties in multiple ML models.
problem Uncertainty in ML model predictions and model inputs.
method Develops a theoretical framework to decouple and transform uncertainties.
result Generates joint distribution of ML predictions considering uncertainties.
MAPIE provides uncertainty quantification for ML models.
problem Estimating uncertainties in ML model predictions.
method Conformal prediction methods for single-output regression and multi-class classification.
result Strong theoretical guarantees on marginal coverages.
This review covers predictive uncertainty estimation in machine learning.
problem Improving the communication of uncertainty in machine learning predictions.
method A comprehensive review of probabilistic prediction methods from early statistical models to recent machine learning algorithms.
result The review highlights the importance of consistent scoring functions and proper scoring rules for assessing probabilistic predictions.
The Intensive Care Unit (ICU) is a hospital department where machine learning has the potential to provide valuable assistance in clinical decision making. Classical machine learning models usually only provide point-estimates and no uncertainty of predictions. In practice, uncertain predictions should be presented to …
Bayesian uncertainty quantification is flawed, according to new research.
problem Flawed interpretation of Bayesian uncertainty quantification.
method Discussion of Bayesian updating and optimization-based perspective, proposing measures of quality.
result Bayesian uncertainty quantification is not coherent with optimization-based perspective.
New methods for better uncertainty prediction in ML.
problem Insufficient calibration in machine learning regression.
method Conditional calibration with respect to input features (adaptivity).
result Consistency and adaptivity are complementary, and good consistency does not guarantee good adaptivity.
A novel Laplace-approximated Bayesian Tensor Network Kernel Machine (LA-TNKM) provides principled uncertainty estimates.
problem How to provide principled uncertainty estimates for tensor network kernel machines.
method Employing a linearized Laplace approximation for Bayesian inference.
result Consistently matches or surpasses Gaussian Processes and BNNs across diverse UCI regression benchmarks.
Paper proposes a method to quantify and explain machine learning uncertainty in predictive process monitoring.
problem Neglect of data-driven estimation, point forecasts without model uncertainty, and lack of explanations.
method Quantile Regression Forests for interval predictions and SHapley Additive Explanations for uncertainty.
result Effective handling of model uncertainty in predictive process monitoring.