ma921 / BASQLinks
(NeurIPS 2022) Fast Bayesian Inference with Batch Bayesian Quadrature via Kernel Recombination
☆19Updated 2 years ago
Alternatives and similar repositories for BASQ
Users that are interested in BASQ are comparing it to the libraries listed below
Sorting:
- Benchmarking☆31Updated 4 years ago
- Heteroscedastic Bayesian Optimisation in Numpy☆23Updated 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
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆90Updated 11 months ago
- Distance-based Analysis of DAta-manifolds in python☆136Updated last month
- Fast Bayesian optimization, quadrature, inference over arbitrary domain with GPU parallel acceleration☆29Updated 3 months ago
- Gaussian Processes for Experimental Sciences☆228Updated 4 months ago
- The materials for the Spring Mathematics in Materials course at the UTK MSE☆49Updated last year
- Design space subset estimation using Bayesian algorithm execution with sklearn GP models☆25Updated last year
- A Library for Gaussian Processes in Chemistry☆245Updated last year
- DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electr…☆63Updated 7 months ago
- Gaussian process augmented with a probabilistic model of expected system's behavior☆15Updated 3 years ago
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆109Updated 7 months ago
- Phoenics: Bayesian optimization for efficient experiment planning☆94Updated 6 years ago
- ☆42Updated last year
- ☆34Updated 3 years ago
- ☆57Updated 2 years ago
- A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks☆139Updated 3 years ago
- Various code/notebooks to benchmark different ways we could estimate uncertainty in ML predictions.☆42Updated 4 years ago
- Bayesian Optimisation for String Spaces☆24Updated 4 years ago
- Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.☆41Updated 8 months ago
- Boltzmann Generators and Normalizing Flows in PyTorch☆182Updated last year
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆39Updated 8 months ago
- Implementation of various equivariant models in JAX☆12Updated last year
- These are the slides associated with the GNN tutorial at the APS March Meeting☆21Updated 2 years ago
- A brain for self-driving laboratories☆44Updated 5 months ago
- Tools for building equivariant polynomials on reductive Lie groups.☆35Updated 2 years ago
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆19Updated last year
- ☆53Updated 3 years ago
- Higher order equivariant graph neural networks for 3D point clouds☆45Updated 2 years ago