""" Minimal example: Physics-Informed Bayesian Optimization in ~30 lines. Demonstrates the core workflow: 1. Define a physics model 2. Define the parameter space 3. Create a designer and suggest experiments """ import torch from physics_informed_bo.experiment.parameter_space import ParameterSpace from physics_informed_bo.experiment.designer import ExperimentDesigner # Physics model: simple Arrhenius-like kinetics def physics_model(X): temp, conc = X[:, 0], X[:, 1] return torch.exp(-5000 / temp) * conc**0.5 # Parameter space space = ParameterSpace() space.add_continuous("temperature", 300, 600, units="K") space.add_continuous("concentration", 0.1, 10.0, units="mol/L") # Some initial observations X_init = torch.tensor([[350.0, 1.0], [450.0, 5.0], [500.0, 3.0]]) y_init = torch.tensor([0.1, 0.8, 0.6]) # Create designer with physics + data designer = ExperimentDesigner( parameter_space=space, physics_fn=physics_model, initial_data=(X_init, y_init), ) # Suggest next experiments next_experiments = designer.suggest(n=3) print("Suggested experiments:") for exp in space.to_dict(next_experiments): print(f" Temperature={exp['temperature']:.1f} K, Concentration={exp['concentration']:.2f} mol/L") # After running experiments, update the designer # designer.update(X_new, y_new)