ulissigroup / uncertainty_benchmarkingLinks
Various code/notebooks to benchmark different ways we could estimate uncertainty in ML predictions.
☆42Updated 4 years ago
Alternatives and similar repositories for uncertainty_benchmarking
Users that are interested in uncertainty_benchmarking are comparing it to the libraries listed below
Sorting:
- Heteroscedastic Bayesian Optimisation in Numpy☆21Updated 2 years ago
- Bayesian optimization with conformal coverage guarantees☆28Updated 2 years ago
- Deep Batch Active Learning for Regression☆69Updated 10 months ago
- Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml…☆52Updated 2 years ago
- Library for training Gaussian Processes on Molecules☆36Updated 3 years ago
- Bayesian Optimisation for String Spaces☆24Updated 3 years ago
- (NeurIPS 2022) Fast Bayesian Inference with Batch Bayesian Quadrature via Kernel Recombination☆19Updated last year
- This repository contains code for handling the materials images and spectra dataset that is the largest expermental materials science dat…☆15Updated last year
- ☆29Updated 2 years ago
- Bayesian Optimization over Discrete and Mixed Spaces via Probabilistic Reparameterization☆73Updated 2 years ago
- Bayesian algorithm execution (BAX)☆50Updated 3 years ago
- ☆40Updated 3 years ago
- Graph Convolutional Networks in JAX☆33Updated 4 years ago
- This project provides Slow Feature Analysis as a scikit-learn-style package.☆41Updated last year
- A library for uncertainty quantification based on PyTorch☆122Updated 3 years ago
- Uncertainty Quantification for Materials Property Prediction: a Benchmark Study☆16Updated last year
- Normalizing Flows with a resampled base distribution☆47Updated 2 years ago
- ☆44Updated 2 years ago
- Library for normalizing flows and neural flows.☆25Updated 3 years ago
- Stochastic Normalizing Flows☆77Updated 3 years ago
- Hamiltonian Dynamics with Non-Newtonian Momentum for Rapid Sampling☆36Updated 3 years ago
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆71Updated last year
- Repository for 'Interpretable embeddings from molecular simulations using gaussian mixture variational autoencoders'☆20Updated 5 years ago
- Official repository for the paper "Improving black-box optimization in VAE latent space using decoder uncertainty" (Pascal Notin, José Mi…☆31Updated last year
- Repository for paper: "SnAKe: Bayesian Optimization with Pathwise Exploration".☆17Updated last year
- Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"☆14Updated 4 years ago
- Multi-Objective Bayesian Optimization over High-Dimensional Search Spaces☆58Updated 2 years ago
- An elegant adaptive importance sampling algorithms for simulations of multi-modal distributions (NeurIPS'20)☆42Updated 3 years ago
- Multiplicative Normalizing Flows in PyTorch.☆24Updated last month
- Benchmarking☆30Updated 3 years ago