Implementing the Müller-Brown Potential in PyTorch
A practical guide to implementing the Müller-Brown potential energy surface in PyTorch, comparing analytical derivatives with automatic …
Optimization
3 posts tagged with optimization.
Location of Saddle Points and Minimum Energy Paths by a Constrained Simplex Optimization Procedure
Summary of Müller and Brown's 1979 paper introducing a novel gradient-free method based on constrained simplex optimization for locating transition …
NEAT: Evolving Neural Network Topologies
Learn about NEAT's approach to evolving neural networks: automatic topology design, historical markings, and speciation for innovation protection.