"""Time-discretization and structural deployment gates for T2 DENRM.""" from __future__ import annotations import json import time from pathlib import Path import matplotlib matplotlib.use("Agg") import matplotlib.pyplot as plt import numpy as np import torch from scipy.optimize import least_squares from src import structural_validate_t2_models as structure from src import t2_graybox_discrete_energy as graybox from src.generate_t2_graybox_cohort import MATERIAL, design, solve ROOT = Path(__file__).resolve().parents[1] MODEL_PATH = ROOT / "models" / "t2_graybox_hardening_v1" / "denrm.pt" ARTIFACT_DIR = ROOT / "artifacts" / "t2_graybox_hardening_v1" OUTPUT = ARTIFACT_DIR / "deployment_validation.json" BASIS = torch.tensor((1.0, -0.5, -0.5, 0.0, 0.0, 0.0), dtype=torch.float64) def load_model(model_path: Path = MODEL_PATH) -> graybox.NeuralHardeningLaw: checkpoint = torch.load(model_path, map_location="cpu", weights_only=False) model = graybox.NeuralHardeningLaw(channels=2).double() model.load_state_dict(checkpoint["state_dict"]) model.eval() return model def _rollout( model: graybox.NeuralHardeningLaw, strain: np.ndarray, material: dict[str, object] = MATERIAL, ) -> dict[str, torch.Tensor]: selected = torch.tensor(strain, dtype=torch.float64) batch = len(selected) with torch.no_grad(): return graybox.rollout( selected, torch.full((batch,), float(material["young_pa"]), dtype=torch.float64), torch.full((batch,), float(material["poisson"]), dtype=torch.float64), torch.full((batch,), float(material["yield_stress_pa"]), dtype=torch.float64), model, bisection_iterations=30, ) def time_discretization_gate( model: graybox.NeuralHardeningLaw, *, rows: list[dict[str, object]] | None = None, solve_function=solve, material: dict[str, object] = MATERIAL, ) -> dict[str, object]: rows = design(4) if rows is None else rows selected = [rows[index] for index in range(0, len(rows), 4)] result: dict[str, object] = {} predictions: dict[int, dict[str, torch.Tensor]] = {} references: dict[int, np.ndarray] = {} for points in (121, 481): solved = [solve_function(row, points=points) for row in selected] strain = np.stack([case["strain"] for case in solved]) reference = np.stack([case["stress_pa"] for case in solved]) prediction = _rollout(model, strain, material) error = prediction["stress"].numpy() - reference active = prediction["plastic_increment"] > 1.0e-11 predictions[points] = prediction references[points] = reference result[str(points)] = { "trajectory_count": len(selected), "rmse_mpa": float(np.sqrt(np.mean(error**2)) / 1.0e6), "mae_mpa": float(np.mean(np.abs(error)) / 1.0e6), "maximum_yield_residual_pa": float( prediction["yield_residual"][active].abs().max() ), } coarse_terminal = predictions[121]["stress"][:, -1] fine_terminal = predictions[481]["stress"][:, -1] reference_scale = torch.tensor(references[481][:, -1]).norm().clamp_min(1.0) result["terminal_121_to_481_relative_change"] = float( (coarse_terminal - fine_terminal).norm() / reference_scale ) return result def _response( model: graybox.NeuralHardeningLaw, old_state: graybox.GrayboxState, scalar_strain: float, ) -> tuple[float, float, graybox.GrayboxState]: def evaluate(value: float): strain = (float(value) * BASIS).reshape(1, 6) with torch.no_grad(): return graybox.advance( strain, old_state, torch.tensor((float(MATERIAL["young_pa"]),), dtype=torch.float64), torch.tensor((float(MATERIAL["poisson"]),), dtype=torch.float64), torch.tensor((float(MATERIAL["yield_stress_pa"]),), dtype=torch.float64), model, bisection_iterations=30, ) stress, state, _ = evaluate(scalar_strain) generalized = float(graybox.double_contract(stress[0], BASIS)) step = 1.0e-7 * max(1.0, abs(scalar_strain) / 0.005) upper, _, _ = evaluate(scalar_strain + step) lower, _, _ = evaluate(scalar_strain - step) tangent = float( (graybox.double_contract(upper[0], BASIS) - graybox.double_contract(lower[0], BASIS)) / (2.0 * step) ) return generalized, tangent, state def _batch_response( model: graybox.NeuralHardeningLaw, old_state: graybox.GrayboxState, scalar_strain: np.ndarray, material: dict[str, object] = MATERIAL, ) -> tuple[np.ndarray, np.ndarray, graybox.GrayboxState]: """Evaluate every element in one batched constitutive call. The global bar problem has independent quadrature-point states, which map directly to DENRM's batch dimension. Batching preserves the local return map while avoiding thousands of tiny Python/PyTorch calls. """ values = torch.as_tensor(scalar_strain, dtype=torch.float64) batch = len(values) young = torch.full((batch,), float(material["young_pa"]), dtype=torch.float64) poisson = torch.full((batch,), float(material["poisson"]), dtype=torch.float64) yield_stress = torch.full( (batch,), float(material["yield_stress_pa"]), dtype=torch.float64 ) def evaluate(selected: torch.Tensor): strain = selected[:, None] * BASIS[None, :] return graybox.advance( strain, old_state, young, poisson, yield_stress, model, bisection_iterations=30, ) with torch.no_grad(): stress, state, _ = evaluate(values) generalized = graybox.double_contract(stress, BASIS) step = 1.0e-7 * torch.maximum( torch.ones_like(values), values.abs() / 0.005 ) upper, _, _ = evaluate(values + step) lower, _, _ = evaluate(values - step) tangent = ( graybox.double_contract(upper, BASIS) - graybox.double_contract(lower, BASIS) ) / (2.0 * step) return generalized.numpy(), tangent.numpy(), state def solve_structure( model: graybox.NeuralHardeningLaw, displacement: np.ndarray, *, elements: int = 12, notch_depth: float, material: dict[str, object] = MATERIAL, ) -> dict[str, np.ndarray | float]: nodes, area = structure.geometry(elements, notch_depth) lengths = np.diff(nodes) states = graybox.initial_state(elements, channels=2, dtype=torch.float64) u = np.zeros(elements + 1) reactions = [] iterations = [] trust_region_fallback_steps: list[int] = [] started = time.perf_counter() for step_index, end_value in enumerate(displacement): if step_index > 0: u += np.linspace(0.0, end_value - u[-1], elements + 1) u[0] = 0.0 u[-1] = end_value accepted = None for iteration in range(60): internal = np.zeros(elements + 1) stiffness = np.zeros((elements + 1, elements + 1)) strains = np.diff(u) / lengths current_stress, current_tangent, trial_states = _batch_response( model, states, strains, material ) for element in range(elements): stress = current_stress[element] tangent = float(np.clip(current_tangent[element], 1.0e7, 4.0e11)) b = np.asarray((-1.0 / lengths[element], 1.0 / lengths[element])) dofs = (element, element + 1) internal[list(dofs)] += area[element] * stress * b * lengths[element] stiffness[np.ix_(dofs, dofs)] += ( area[element] * tangent * np.outer(b, b) * lengths[element] ) residual = internal[1:-1] scale = max(float(np.linalg.norm(internal)), 1.0) # The local law is solved tightly, but its scalar tangent is a # finite-difference directional derivative across an active-set # switch. Use an engineering equilibrium tolerance and a bounded # Newton correction, matching the deployment gate used for the # other learned constitutive models in this project. if np.linalg.norm(residual) <= 2.0e-6 * scale + 1.0e2: accepted = trial_states break increment = np.linalg.solve(stiffness[1:-1, 1:-1], residual) maximum = 0.20 * max(abs(end_value), 1.0e-5) norm_increment = np.max(np.abs(increment)) if norm_increment > maximum: increment *= maximum / norm_increment u[1:-1] -= increment if accepted is None: # Reversal points can place several integration points on different # sides of the elastic/plastic active-set switch. Recover the same # FE equilibrium with a bounded trust-region solve; the local # constitutive law and its committed state remain unchanged. end_fixed = float(end_value) # In a one-dimensional bar, equilibrium is equivalently expressed # by a single constant axial force. Solving for all element # strains plus that force avoids poor conditioning in nodal # coordinates at a displacement reversal. def force_compatibility(unknown: np.ndarray) -> np.ndarray: candidate_strain = unknown[:-1] force_scaled = unknown[-1] candidate_stress, _, _ = _batch_response( model, states, candidate_strain, material ) force_balance = area * candidate_stress / 1.0e8 - force_scaled compatibility = ( np.dot(lengths, candidate_strain) - end_fixed ) / 0.005 return np.concatenate((force_balance, (compatibility,))) def force_compatibility_jacobian(unknown: np.ndarray) -> np.ndarray: candidate_strain = unknown[:-1] _, candidate_tangent, _ = _batch_response( model, states, candidate_strain, material ) candidate_tangent = np.clip(candidate_tangent, 1.0e7, 4.0e11) jacobian = np.zeros((elements + 1, elements + 1)) jacobian[np.arange(elements), np.arange(elements)] = ( area * candidate_tangent / 1.0e8 ) jacobian[:elements, -1] = -1.0 jacobian[-1, :elements] = lengths / 0.005 return jacobian initial_strain = np.diff(u) / lengths initial_force = float(internal[-1]) / 1.0e8 recovered = least_squares( force_compatibility, np.concatenate((initial_strain, (initial_force,))), method="trf", jac=force_compatibility_jacobian, x_scale=np.concatenate((np.full(elements, 0.005), (1.0,))), max_nfev=120, xtol=1.0e-12, ftol=1.0e-12, gtol=1.0e-12, ) if recovered.success: strains = recovered.x[:-1] u = np.concatenate(((0.0,), np.cumsum(lengths * strains))) current_stress, _, trial_states = _batch_response( model, states, strains, material ) internal = np.zeros(elements + 1) for element in range(elements): b = np.asarray((-1.0 / lengths[element], 1.0 / lengths[element])) dofs = (element, element + 1) internal[list(dofs)] += ( area[element] * current_stress[element] * b * lengths[element] ) residual = internal[1:-1] scale = max(float(np.linalg.norm(internal)), 1.0) if np.linalg.norm(residual) <= 2.0e-6 * scale + 1.0e2: accepted = trial_states iteration = 60 + int(recovered.nfev) trust_region_fallback_steps.append(step_index) if accepted is None: raise RuntimeError( f"DENRM structural solve failed at step {step_index}; " f"max_abs_element_strain={float(np.max(np.abs(strains))):.6g}." ) states = accepted reactions.append(float(internal[-1])) iterations.append(iteration + 1) return { "reaction": np.asarray(reactions), "iterations": np.asarray(iterations), "trust_region_fallback_steps": trust_region_fallback_steps, "elapsed_seconds": time.perf_counter() - started, } def structural_gate( model: graybox.NeuralHardeningLaw, *, material: dict[str, object] = MATERIAL, native_law_factory=structure.material, artifact_dir: Path = ARTIFACT_DIR, ) -> dict[str, object]: result: dict[str, object] = {} figure, axes = plt.subplots(1, 2, figsize=(10.0, 4.2), constrained_layout=True) cases = ( ("mild_cyclic", 0.12, structure.load_history(points=81)), ("severe_monotonic", 0.42, np.linspace(0.0, 0.0065, 61)), ) for axis, (name, depth, displacement) in zip( axes, cases, strict=True, ): reference = structure.solve_native( 12, displacement, notch_depth=depth, law_factory=native_law_factory, ) learned = solve_structure( model, displacement, notch_depth=depth, material=material ) difference = learned["reaction"] - reference["reaction"] relative = float( np.linalg.norm(difference) / max(np.linalg.norm(reference["reaction"]), 1.0) ) result[name] = { "reaction_relative_l2": relative, "maximum_absolute_reaction_error": float(np.max(np.abs(difference))), "maximum_newton_iterations": int(np.max(learned["iterations"])), "mean_newton_iterations": float(np.mean(learned["iterations"])), "trust_region_fallback_count": len( learned["trust_region_fallback_steps"] ), "trust_region_fallback_steps": list( learned["trust_region_fallback_steps"] ), "elapsed_seconds": float(learned["elapsed_seconds"]), } axis.plot(displacement, reference["reaction"], label="AgentFEM reference") axis.plot(displacement, learned["reaction"], "--", label="DENRM") axis.set_title(name.replace("_", " ")) axis.set_xlabel("prescribed end displacement") axis.set_ylabel("reaction") axis.grid(alpha=0.2) axes[0].legend(frameon=False) artifact_dir.mkdir(parents=True, exist_ok=True) figure.savefig(artifact_dir / "structural_reaction_comparison.png", dpi=190) plt.close(figure) # Deliberately retain a stronger cyclic extrapolation as a falsification # gate. It currently exceeds the training strain envelope during reversal; # recording the failure is more informative than silently shrinking it. try: severe_cyclic = solve_structure( model, structure.load_history(points=81), notch_depth=0.42, material=material, ) result["severe_cyclic_stress_test"] = { "passed": True, "maximum_newton_iterations": int( np.max(severe_cyclic["iterations"]) ), "trust_region_fallback_count": len( severe_cyclic["trust_region_fallback_steps"] ), } except RuntimeError as error: result["severe_cyclic_stress_test"] = { "passed": False, "failure": str(error), "interpretation": ( "strong cyclic localization leaves the present training envelope; " "this is a declared promotion-gate failure, not a successful deployment" ), } return result def main() -> None: model = load_model() ARTIFACT_DIR.mkdir(parents=True, exist_ok=True) result = { "time_discretization": time_discretization_gate(model), "structure": structural_gate(model), } OUTPUT.write_text(json.dumps(result, indent=2) + "\n", encoding="utf-8") print(json.dumps(result, indent=2)) if __name__ == "__main__": main()