Surrogate Modeling Toolbox

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

Surrogate modeling and optimization for scientific machine learning (SciML)

A Large-Scale Multimodal Car Dataset with Computational Fluid Dynamics Simulations and Deep Learning Benchmarks

Surrogate Optimization Toolbox for Python

Applications of PINOs

Encoding physics to learn reaction-diffusion processes

Sandia Uncertainty Quantification Toolkit

3D CNN to predict single-phase flow velocity fields

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

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

core C++ library

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

Multi-fidelity Generative Deep Learning Turbulent Flows

Dimension reduced surrogate construction for parametric PDE maps

A step-by-step guide for surrogate optimization using Gaussian Process surrogate model

Efficient Multiscale Topology Optimization

In this repository I publish the python code, that was part of my master thesis. The thesis can be found here, however its in German though, sry. :/

An easy to use interface to gravitational wave surrogate models

Benchmarking Surrogate-based Optimisation Algorithms on Expensive Black-box Functions