Surrogate Models Python Packages

egobox

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

tglfnn-ukaea

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

apebench

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

smt

SMT: The Surrogate Modeling Toolbox

agentfem

AI-native open-source finite-element platform connecting engineering, computation, data, and AI.

surmise

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

pysot

Surrogate Optimization Toolbox for Python

gwsurrogate

An easy to use interface to gravitational wave surrogate models

teneva

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

surfaces

Standardized test-functions for optimization algorithms and machine-learning

calisim

A toolbox for the calibration and evaluation of simulation models.

uqtopus

UQTOPUS (Uncertainty Quantification Toolbox for OpenFOAM and Python Unified Simulation)

pyscipopt-ml

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

dgpsi

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

insurance-distill

GBM-to-GLM distillation for insurance pricing - surrogate factor tables for Radar/Emblem rating engines

optilab

Python framework for black-box optimization.

neuroxai

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

heron-model

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

statlml

Statistical learning models library for blackbox optimization

ebf

Elliptical Basis Function interpolation — RBF generalized with a learnable per-node ellipsoid, for smooth fits to scattered engineering data

statescale

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

pytuq

Python Toolkit for Uncertainty Quantification

surfaces-dashboard

Standardized test-functions for optimization algorithms and machine-learning

surfaces-cec-data

Standardized test-functions for optimization algorithms and machine-learning