Expand description
BFGS quasi-Newton minimizer with backtracking Armijo line search.
The optimizer maintains an inverse-Hessian approximation (dense, full-rank) and applies gradient scaling borrowed from RDKit’s embedding pipeline when the initial gradient norm exceeds 1.0.
Structs§
- Rust
Bfgs Engine - BFGS minimizer with configurable iteration limit, gradient tolerance, and line-search depth.