Surrogate Models Python Packages

egobox

Efficient global optimization toolbox in Rust: bayesian optimization, mixture of gaussian processes, sampling methods

smt

SMT: The Surrogate Modeling Toolbox

apebench

[Neurips 2024] A benchmark suite for autoregressive neural emulation of PDEs. (≥46 PDEs in 1D, 2D, 3D; Differentiable Physics; Unrolled Training; Rollout Metrics)

tglfnn-ukaea

Neural network surrogate models of the TGLF quasilinear plasma turbulent transport simulator in various parameter spaces

pysot

Surrogate Optimization Toolbox for Python

surfaces

Standardized test-functions for optimization algorithms and machine-learning

teneva

A framework based on the tensor train decomposition for working with multivariate functions and multidimensional arrays

heron-model

Heron is a surrogate modelling toolkit for python, using Gaussian process regression.

surmise

A python package for surrogate models that interface with calibration and other tools

calisim

A toolbox for the calibration and evaluation of simulation models.

pyscipopt-ml

Python interface to automatically formulate Machine Learning models into Mixed-Integer Programs

insurance-distill

Distil GBM models into multiplicative GLM factor tables for insurance rating engines.

dgpsi

Python package 'dgpsi' for deep and linked Gaussian process emulations

uqtopus

Uncertainty Quantification Toolbox for OpenFOAM and Python Unified Simulation workflows

optilab

Python framework for black-box optimization.

statlml

Statistical Learning Models Library

neuroxai

[ESWA] NeuroXAI: Adaptive, Robust, Explainable Surrogate Framework for Determination of Channel Importance in EEG Application

surfaces-dashboard

Standardized test-functions for optimization algorithms and machine-learning

surfaces-onnx-files

Standardized test-functions for optimization algorithms and machine-learning

statescale

A Python package for snapshot-driven upscaling of high-dimensional simulation states along arbitrary parameter or signal paths.

surfaces-cec-data

Standardized test-functions for optimization algorithms and machine-learning

pytuq

Python-only set of tools for uncertainty quantification.

gradient-free-objective-functions

A collection and visualization of black-box objective functions