ulissigroup / uncertainty_benchmarking
Various code/notebooks to benchmark different ways we could estimate uncertainty in ML predictions.
☆41Updated 3 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
- (NeurIPS 2022) Fast Bayesian Inference with Batch Bayesian Quadrature via Kernel Recombination☆19Updated last year
- Bayesian optimization with conformal coverage guarantees☆28Updated 2 years ago
- Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml…☆51Updated 2 years ago
- ☆28Updated 2 years ago
- Library for normalizing flows and neural flows.☆24Updated 2 years ago
- Code for the ICML 2019 paper: Distribution Calibration for Regression☆21Updated last year
- Benchmarking☆28Updated 3 years ago
- Bayesian Optimisation for String Spaces☆24Updated 3 years ago
- Library for training Gaussian Processes on Molecules☆36Updated 3 years ago
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆85Updated 5 months ago
- Deep Batch Active Learning for Regression☆67Updated 7 months ago
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆70Updated 11 months ago
- A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks☆131Updated 3 years ago
- ☆44Updated 2 years ago
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆49Updated last month
- An elegant adaptive importance sampling algorithms for simulations of multi-modal distributions (NeurIPS'20)☆41Updated 2 years ago
- Physics informed Bayesian network + autoencoder for matching process / variable / performance in solar cells.☆32Updated 3 years ago
- Steerable E(3) GNN in jax☆24Updated last year
- Bayesian Neural Network Surrogates for Bayesian Optimization☆51Updated last year
- ☆30Updated 2 years ago
- Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"☆14Updated 4 years ago
- ☆60Updated 3 years ago
- ☆40Updated 3 years ago
- ☆22Updated 2 weeks ago
- Uncertainty quantification of molecular property prediction using Bayesian deep learning☆44Updated 6 years ago
- Stochastic Normalizing Flows☆76Updated 3 years ago
- Deep Bayesian Optimization for Problems with High-Dimensional Structure☆16Updated 2 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
- Bayesian algorithm execution (BAX)☆49Updated 3 years ago