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PyTorch uncertainty quantification toolkit with deep ensembles, Bayes-by-Backprop VI, Laplace, SGLD, MC Dropout, Gaussian Processes, and scientific ML backbones.

Project description

Deep-UQ is a PyTorch toolkit for uncertainty-aware machine learning.

It collects practical uncertainty quantification methods, Gaussian-process models, and scientific machine learning backbones in one package, with a common focus on predictive uncertainty for regression, classification, and field-to-field surrogate modeling.

Install

pip install uqdeepnn

Import

import deepuq

Included methods

  • Deep Ensembles
  • Variational Inference (Bayes by Backprop, heteroscedastic VI, multi-output VI, and last-layer VI)
  • Laplace Approximation
  • MCMC via SGLD
  • MC Dropout
  • Gaussian Processes

Scientific machine learning backbones

  • DeepONet
  • Fourier Neural Operator (FNO)
  • CNN / ResNet spatial surrogates
  • U-Net backbones
  • Physics-Informed Neural Networks (PINNs)

Documentation

Package names

  • PyPI package: uqdeepnn
  • Python import: deepuq
  • Project / docs name: Deep-UQ

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