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Paper List: Methods and Metrics for Predictive Uncertainty Quantification and Probabilistic Forecasting

This is a partial list (and a work in progress), which covers only a small subset of the many papers in this area.

Seminal Works on Probabilistic Forecasting and UQ Metrics

  • Probabilistic forecasts, calibration and sharpness

    • By Tilmann Gneiting, Fadoua Balabdaoui, and Adrian E. Raftery
    • 2007
    • [PDF], [PDF]
    • Definitions of calibration and sharpness, and corresponding metrics
  • Strictly Proper Scoring Rules, Prediction, and Estimation

    • By Tilmann Gneiting, and Adrian E. Raftery
    • 2007
    • [PDF], [Link]
    • Definition of proper scoring rules and various scoring rules
  • Using Bayesian Model Averaging to Calibrate Forecast Ensembles

    • By Adrian E. Raftery, Tilmann Gneiting, Fadoua Balabdaoui, and Michael Polakowski
    • 2005
    • [PDF], [Link]
  • Calibrated Probabilistic Forecasting Using Ensemble Model Output Statistics and Minimum CRPS Estimation

    • By Tilmann Gneiting, Adrian E. Raftery, Anton H. Westveld III, and Tom Goldman
    • 2005
    • [PDF]
  • Making and Evaluating Point Forecasts

  • Probabilistic Forecasting

    • By Tilmann Gneiting and Matthias Katzfuss
    • 2014
    • [Link]

Calibration, Sharpness, and Recalibration in Deep Learning

  • Accurate Uncertainties for Deep Learning Using Calibrated Regression

    • By Volodymyr Kuleshov, Nathan Fenner, Stefano Ermon
    • [ArXiv]
  • On Calibration of Modern Neural Networks

    • By Chuan Guo, Geoff Pleiss, Yu Sun, Kilian Q. Weinberger
    • [ArXiv]
  • Verified Uncertainty Calibration

    • By Ananya Kumar, Percy Liang, Tengyu Ma
    • [ArXiv]
  • Beyond Pinball Loss: Quantile Methods for Calibrated Uncertainty Quantification

    • By Youngseog Chung, Willie Neiswanger, Ian Char, Jeff Schneider
    • [ArXiv]
  • Individual Calibration with Randomized Forecasting

    • By Shengjia Zhao, Tengyu Ma, Stefano Ermon
    • [ArXiv]
  • Single-Model Uncertainties for Deep Learning

    • By Natasa Tagasovska, David Lopez-Paz
    • [ArXiv]
  • High-Quality Prediction Intervals for Deep Learning: A Distribution-Free, Ensembled Approach

    • By Tim Pearce, Mohamed Zaki, Alexandra Brintrup and Andy Neely
    • [ArXiv]

Holistic Review of UQ Methods

  • Methods for Comparing Uncertainty Quantifications for Material Property Predictions

    • By Kevin Tran, Willie Neiswanger, Junwoong Yoon, Qingyang Zhang, Eric Xing, Zachary W Ulissi
    • Empirical comparison of UQ methods for regression
    • [ArXiv],
  • Can You Trust Your Model’s Uncertainty? Evaluating Predictive Uncertainty Under Dataset Shift

    • By Yaniv Ovadia, Emily Fertig, Jie Ren, Zachary Nado, D. Sculley, Sebastian Nowozin, Joshua Dillon, Balaji Lakshminarayanan, and Jasper Snoek
    • Empirical comparison of UQ methods under dataset shift, for classification
    • [ArXiv]
  • How Good is the Bayes Posterior in Deep Neural Networks Really?

    • Florian Wenzel, Kevin Roth, Bastiaan S. Veeling, Jakub Świątkowski, Linh Tran, Stephan Mandt, Jasper Snoek, Tim Salimans, Rodolphe Jenatton, Sebastian Nowozin
    • Empirical study on performance of posterior of Bayesian neural networks
    • [ArXiv]
  • Aleatoric and Epistemic Uncertainty in Machine Learning: An Introduction to Concepts and Methods

    • By Eyke Hüllermeier and Willem Waegeman
    • Overview of concepts and methods in UQ
    • [ArXiv]

Ensembles

  • Simple and Scalable Predictive Uncertainty Estimation using Deep Ensembles

    • By Balaji Lakshminarayanan, Alexander Pritzel, Charles Blundell
    • [ArXiv]
  • Uncertainty in Neural Networks: Bayesian Ensembling

    • By Tim Pearce, Mohamed Zaki, Alexandra Brintrup, Nicolas Anastassacos, Andy Neely
    • [ArXiv]
  • Ensemble methods in Machine Learning

    • By Thomas G. Dietterich
    • [PDF]
  • Representation of Uncertainty in Deep Neural Networks through Sampling

    • By Patrick McClure, Nikolaus Kriegeskorte
    • [PDF]
  • Ensemble Sampling

    • By Xiuyuan Lu, Benjamin Van Roy
    • [ArXiv]
  • Maximizing Overall Diversity for Improved Uncertainty Estimates in Deep Ensembles

    • By Siddhartha Jain, Ge Liu, Jonas Mueller, David Gifford
    • [ArXiv]

Bayesian Methods in Deep Learning

Bayesian Neural Networks (BNN)

  • Hands-on Bayesian Neural Networks - a Tutorial for Deep Learning Users

    • By Laurent Valentin Jospin, Wray Buntine, Farid Boussaid, Hamid Laga, Mohammed Bennamoun
    • Comprehensive tutorial on various methods for BNN
    • [ArXiv]
  • Bayesian Learning for Neural Networks

    • By Radford M. Neal
    • Seminal work on Markov Chain Monte Carlo (MCMC) based learning for neural networks
    • [PDF]
  • Stochastic Gradient Hamiltonian Monte Carlo

    • By Tianqi Chen, Emily B. Fox, Carlos Guestrin
    • MCMC based
    • [ArXiv]
  • Bayesian Learning via Stochastic Gradient Langevin Dynamics

    • By Max Welling, Yee Whye Teh
    • MCMC based
    • [PDF]
  • Weight Uncertainty in Neural Networks

    • By Charles Blundell, Julien Cornebise, Koray Kavukcuoglu, Daan Wierstra
    • Variational Inference (VI) based
    • [ArXiv]
  • Deterministic Variational Inference for Robust Bayesian Neural Networks

    • By Anqi Wu, Sebastian Nowozin, Edward Meeds, Richard E. Turner, José Miguel Hernández-Lobato, Alexander L. Gaunt
    • VI based
    • [ArXiv]
  • Noisy Natural Gradient as Variational Inference

    • Guodong Zhang, Shengyang Sun, David Duvenaud, Roger Grosse
    • VI based
    • [ArXiv]
  • Fast and Scalable Bayesian Deep Learning by Weight-Perturbation in Adam

    • Mohammad Emtiyaz Khan, Didrik Nielsen, Voot Tangkaratt, Wu Lin, Yarin Gal, Akash Srivastava
    • VI based
    • [ArXiv]
  • Noise Contrastive Priors for Functional Uncertainty

    • By Danijar Hafner, Dustin Tran, Timothy Lillicrap, Alex Irpan, James Davidson
    • [ArXiv]
  • Bayesian Layers: A Module for Neural Network Uncertainty

    • By Dustin Tran, Michael W. Dusenberry, Mark van der Wilk, Danijar Hafner
    • [ArXiv]

Other Approximations to Bayesian Inference

  • A Simple Baseline for Bayesian Uncertainty in Deep Learning

    • By Wesley Maddox, Timur Garipov, Pavel Izmailov, Dmitry Vetrov, Andrew Gordon Wilson
    • [ArXiv]
  • Dropout as a Bayesian Approximation: Representing Model Uncertainty in Deep Learning

    • By Yarin Gal, Zoubin Ghahramani
    • [ArXiv]

Deep GPs, Deep Kernels, and Neural Processes

  • Deep Kernel Learning

    • By Andrew Gordon Wilson, Zhiting Hu, Ruslan Salakhutdinov, Eric P. Xing
    • [ArXiv]
  • Neural Processes

    • By Marta Garnelo, Jonathan Schwarz, Dan Rosenbaum, Fabio Viola, Danilo J. Rezende, S.M. Ali Eslami, Yee Whye Teh
    • [ArXiv]
  • On the Connection between Neural Processes and Gaussian Processes with Deep Kernels

    • By Tim GJ Rudner, Vincent Fortuin, Yee Whye Teh, Yarin Gal
    • [PDF]

Meta-Network Strategies

  • Predictive Uncertainty Estimation via Prior Networks

    • By Andrey Malinin, Mark Gales
    • [ArXiv]
  • Learning Confidence for Out-of-Distribution Detection in Neural Networks

    • By Terrance DeVries, Graham W. Taylor
    • [ArXiv]
  • Learning for Single-Shot Confidence Calibration in Deep Neural Networks through Stochastic Inferences

    • By Seonguk Seo, Paul Hongsuck Seo, Bohyung Han
    • [ArXiv]
  • Detecting Adversarial Examples and Other Misclassifications in Neural Networks by Introspection

    • By Jonathan Aigrain, Marcin Detyniecki
    • [ArXiv]
  • Towards Better Confidence Estimation for Neural Models

    • By Vishal Thanvantri Vasudevan, Abhinav Sethy, Alireza Roshan Ghias
    • [PDF]
  • Density estimation in representation space to predict model uncertainty

    • By Tiago Ramalho, Miguel Miranda
    • [ArXiv]
  • Training Confidence-calibrated Classifiers for Detecting Out-of-Distribution Samples

    • By Kimin Lee, Honglak Lee, Kibok Lee, Jinwoo Shin
    • [ArXiv]
  • Uncertainty Estimation Using a Single Deep Deterministic Neural Network

    • By Joost van Amersfoort, Lewis Smith, Yee Whye Teh, Yarin Gal
    • [ArXiv]

Downstream applications

Computer Vision

  • Deep Bayesian Active Learning with Image Data

    • By Yarin Gal, Riashat Islam, Zoubin Ghahramani
    • [ArXiv]
  • What Uncertainties Do We Need in Bayesian Deep Learning for Computer Vision?

    • By Alex Kendall, Yarin Gal
    • [ArXiv]

Reinforcement Learning

  • Deep Reinforcement Learning in a Handful of Trials using Probabilistic Dynamics Models

    • Kurtland Chua, Roberto Calandra, Rowan McAllister, Sergey Levine
    • [ArXiv]
  • MOPO: Model-based Offline Policy Optimization

    • By Tianhe Yu, Garrett Thomas, Lantao Yu, Stefano Ermon, James Zou, Sergey Levine, Chelsea Finn, Tengyu Ma
    • [ArXiv]
  • When to Trust Your Model: Model-Based Policy Optimization

    • By Michael Janner, Justin Fu, Marvin Zhang, Sergey Levine
    • [ArXiv]
  • Calibrated Model-Based Deep Reinforcement Learning

    • By Ali Malik, Volodymyr Kuleshov, Jiaming Song, Danny Nemer, Harlan Seymour, Stefano Ermon
    • [ArXiv]

Language

  • Incorporating Uncertainty into Deep Learning for Spoken Language Assessment
    • By Andrey Malinin, Anton Ragni, Kate M. Knill, Mark J. F. Gales
    • [PDF]