nlgm.visualize Module#

nlgm.visualize.visualize_loss_trajectories(loss_trajectories)[source]#

Plot training loss trajectories for explored geometries.

Parameters:
loss_trajectorieslist

Loss trajectories, one sequence per explored geometry.

nlgm.visualize.visualize_optimization_trajectory(adjacency_matrix, signatures, evaluated_signatures)[source]#

Plot optimization trajectory on the graph search space.

Parameters:
adjacency_matrixnumpy.ndarray

Graph adjacency matrix.

signatureslist

Signatures corresponding to graph nodes.

evaluated_signatureslist

Signatures visited during optimization.

nlgm.visualize.visualize_validation_metrics(evaluated_metrics)[source]#

Plot validation metric values over optimization iterations.

Parameters:
evaluated_metricslist

Validation metric history.