Download src/t2_material_loading_memory_v1.py from HaomingLuo/AgentFEM-Material-Loading-Memory: direct link, hf CLI and curl.
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https://huggingface.co/datasets/HaomingLuo/AgentFEM-Material-Loading-Memory/resolve/main/src/t2_material_loading_memory_v1.py
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hf download hf://datasets/HaomingLuo/AgentFEM-Material-Loading-Memory/src/t2_material_loading_memory_v1.py
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curl -L -o t2_material_loading_memory_v1.py https://huggingface.co/datasets/HaomingLuo/AgentFEM-Material-Loading-Memory/resolve/main/src/t2_material_loading_memory_v1.py
30.6 kB
| """Build the restartable T2 material-loading-memory v1 dataset. | |
| One sample is one complete material-point trajectory. The 121 states within a | |
| trajectory are never counted as independent samples. J2 linear isotropic | |
| hardening and Chaboche combined hardening remain explicit model labels. | |
| """ | |
| from __future__ import annotations | |
| import argparse | |
| import hashlib | |
| import json | |
| import os | |
| import platform | |
| import time | |
| from pathlib import Path | |
| import h5py | |
| import matplotlib | |
| matplotlib.use("Agg") | |
| import matplotlib.pyplot as plt | |
| import numpy as np | |
| from scipy.stats import qmc | |
| import agentfem | |
| from agentfem import campaigns | |
| try: | |
| from src import t2_material_loading_memory as core | |
| except ModuleNotFoundError: # Direct execution from the src directory. | |
| import t2_material_loading_memory as core | |
| ROOT = Path(__file__).resolve().parents[1] | |
| CONFIG_PATH = ROOT / "configs" / "t2_material_loading_memory_v1.json" | |
| DATA_DIR = ROOT / "data" / "t2_material_loading_memory_v1" | |
| SAMPLE_DIR = DATA_DIR / "samples" | |
| RECORD_DIR = DATA_DIR / "records" | |
| SHARD_DIR = DATA_DIR / "shards" | |
| ARTIFACT_DIR = ROOT / "artifacts" / "t2_material_loading_memory_v1" | |
| DESIGN_PATH = DATA_DIR / "design.jsonl" | |
| INDEX_PATH = DATA_DIR / "index.jsonl" | |
| MANIFEST_PATH = DATA_DIR / "manifest.json" | |
| AGENTFEM_COMMIT = "058faecc05aeda143d014fd229401003a9258bbb" | |
| MATERIAL_MODELS = core.MATERIAL_MODELS | |
| PATH_FAMILIES = core.PATH_FAMILIES | |
| REQUIRED_ARRAYS = ( | |
| "time_coordinate", | |
| "path_anchors", | |
| "signed_equivalent_strain", | |
| "total_strain", | |
| "stress_pa", | |
| "signed_equivalent_stress_pa", | |
| "mises_stress_pa", | |
| "plastic_strain", | |
| "equivalent_plastic_strain", | |
| "plastic_multiplier_increment", | |
| "elastic_step", | |
| "trial_yield_function_pa", | |
| "yield_radius_pa", | |
| "shifted_mises_stress_pa", | |
| "backstress_pa", | |
| "backstress_components_pa", | |
| "plastic_work_increment_j_m3", | |
| "cumulative_plastic_work_j_m3", | |
| "external_work_increment_j_m3", | |
| "cumulative_external_work_j_m3", | |
| ) | |
| def load_config() -> dict[str, object]: | |
| return json.loads(CONFIG_PATH.read_text(encoding="utf-8")) | |
| def _scale(value: float, bounds: list[float]) -> float: | |
| return float(bounds[0] + value * (bounds[1] - bounds[0])) | |
| def design_parameters(seed: int | None = None) -> tuple[dict[str, object], ...]: | |
| """Return a deterministic balanced 1,008-trajectory Sobol design.""" | |
| config = load_config() | |
| actual_seed = int(config["seed"] if seed is None else seed) | |
| ranges = config["ranges"] | |
| per_stratum = int(config["samples_per_stratum"]) | |
| required = len(MATERIAL_MODELS) * len(PATH_FAMILIES) * per_stratum | |
| exponent = int(np.ceil(np.log2(required))) | |
| unit = qmc.Sobol(12, scramble=True, seed=actual_seed).random_base2(exponent) | |
| rows: list[dict[str, object]] = [] | |
| cursor = 0 | |
| for material_model in MATERIAL_MODELS: | |
| for path_family in PATH_FAMILIES: | |
| for replicate in range(per_stratum): | |
| u = unit[cursor] | |
| cursor += 1 | |
| row: dict[str, object] = { | |
| "material_model": material_model, | |
| "path_family": path_family, | |
| "replicate": replicate, | |
| "young_pa": _scale(u[0], ranges["young_pa"]), | |
| "poisson": _scale(u[1], ranges["poisson"]), | |
| "yield_stress_pa": _scale(u[2], ranges["yield_stress_pa"]), | |
| "maximum_equivalent_strain": _scale( | |
| u[3], ranges["maximum_equivalent_strain"] | |
| ), | |
| "path_shape_a": float(u[10]), | |
| "path_shape_b": float(u[11]), | |
| } | |
| if material_model == "j2_linear_isotropic": | |
| row.update( | |
| { | |
| "hardening_modulus_pa": _scale( | |
| u[4], ranges["j2_hardening_modulus_pa"] | |
| ), | |
| "backstress_c1_pa": 0.0, | |
| "backstress_gamma1": 0.0, | |
| "backstress_c2_pa": 0.0, | |
| "backstress_gamma2": 0.0, | |
| "isotropic_saturation_pa": 0.0, | |
| "isotropic_rate": 0.0, | |
| } | |
| ) | |
| else: | |
| row.update( | |
| { | |
| "hardening_modulus_pa": 0.0, | |
| "backstress_c1_pa": _scale( | |
| u[4], ranges["chaboche_c1_pa"] | |
| ), | |
| "backstress_gamma1": _scale( | |
| u[5], ranges["chaboche_gamma1"] | |
| ), | |
| "backstress_c2_pa": _scale( | |
| u[6], ranges["chaboche_c2_pa"] | |
| ), | |
| "backstress_gamma2": _scale( | |
| u[7], ranges["chaboche_gamma2"] | |
| ), | |
| "isotropic_saturation_pa": _scale( | |
| u[8], ranges["chaboche_isotropic_saturation_pa"] | |
| ), | |
| "isotropic_rate": _scale( | |
| u[9], ranges["chaboche_isotropic_rate"] | |
| ), | |
| } | |
| ) | |
| rows.append(row) | |
| if len(rows) != int(config["sample_count"]): | |
| raise RuntimeError("T2 v1 design size differs from the frozen configuration.") | |
| return tuple(rows) | |
| def case_identity(parameters: dict[str, object]) -> str: | |
| return campaigns.case_id("t2_material_loading_memory_v1", parameters) | |
| def split_assignments(parameters: tuple[dict[str, object], ...]) -> dict[int, str]: | |
| """Create 64/10/10 train/validation/test splits in every stratum.""" | |
| seed = int(load_config()["seed"]) | |
| result: dict[int, str] = {} | |
| for model_index, material_model in enumerate(MATERIAL_MODELS): | |
| for path_index, path_family in enumerate(PATH_FAMILIES): | |
| members = np.asarray( | |
| [ | |
| index | |
| for index, row in enumerate(parameters) | |
| if row["material_model"] == material_model | |
| and row["path_family"] == path_family | |
| ], | |
| dtype=int, | |
| ) | |
| rng = np.random.default_rng(seed + 100 * model_index + path_index) | |
| members = rng.permutation(members) | |
| for index in members[:64]: | |
| result[int(index)] = "train" | |
| for index in members[64:74]: | |
| result[int(index)] = "validation" | |
| for index in members[74:84]: | |
| result[int(index)] = "test" | |
| return result | |
| def _sha256(path: Path) -> str: | |
| digest = hashlib.sha256() | |
| with path.open("rb") as stream: | |
| for block in iter(lambda: stream.read(1024 * 1024), b""): | |
| digest.update(block) | |
| return digest.hexdigest() | |
| def _write_json_atomic(path: Path, value: object) -> None: | |
| path.parent.mkdir(parents=True, exist_ok=True) | |
| temporary = path.with_suffix(path.suffix + ".tmp") | |
| temporary.write_text( | |
| json.dumps(value, indent=2, sort_keys=True) + "\n", encoding="utf-8" | |
| ) | |
| os.replace(temporary, path) | |
| def _write_jsonl_atomic(path: Path, rows: list[dict[str, object]]) -> None: | |
| path.parent.mkdir(parents=True, exist_ok=True) | |
| temporary = path.with_suffix(path.suffix + ".tmp") | |
| with temporary.open("w", encoding="utf-8") as stream: | |
| for row in rows: | |
| stream.write(json.dumps(row, sort_keys=True) + "\n") | |
| os.replace(temporary, path) | |
| def _write_npz_atomic(path: Path, arrays: dict[str, np.ndarray]) -> None: | |
| path.parent.mkdir(parents=True, exist_ok=True) | |
| temporary = path.with_suffix(path.suffix + ".tmp") | |
| with temporary.open("wb") as stream: | |
| np.savez_compressed(stream, **arrays) | |
| os.replace(temporary, path) | |
| def sample_paths(index: int) -> tuple[Path, Path]: | |
| return SAMPLE_DIR / f"{index:05d}.npz", RECORD_DIR / f"{index:05d}.json" | |
| def write_design() -> Path: | |
| parameters = design_parameters() | |
| splits = split_assignments(parameters) | |
| rows = [ | |
| { | |
| "id": f"{index:05d}", | |
| "case_id": case_identity(row), | |
| "split": splits[index], | |
| "parameters": row, | |
| } | |
| for index, row in enumerate(parameters) | |
| ] | |
| _write_jsonl_atomic(DESIGN_PATH, rows) | |
| return DESIGN_PATH | |
| def _sample_complete(index: int, expected_case_id: str) -> bool: | |
| sample_path, record_path = sample_paths(index) | |
| if not sample_path.exists() or not record_path.exists(): | |
| return False | |
| try: | |
| record = json.loads(record_path.read_text(encoding="utf-8")) | |
| if record["case_id"] != expected_case_id: | |
| return False | |
| with np.load(sample_path) as arrays: | |
| if set(REQUIRED_ARRAYS) - set(arrays.files): | |
| return False | |
| return all(np.isfinite(arrays[name]).all() for name in REQUIRED_ARRAYS) | |
| except (OSError, ValueError, KeyError, json.JSONDecodeError): | |
| return False | |
| def _solve_record( | |
| index: int, parameters: dict[str, object], split: str | |
| ) -> tuple[dict[str, np.ndarray], dict[str, object]]: | |
| points = int(load_config()["points_per_trajectory"]) | |
| arrays, metrics = core.solve_trajectory(parameters, points=points) | |
| reference_error = 0.0 | |
| if ( | |
| parameters["material_model"] == "j2_linear_isotropic" | |
| and parameters["path_family"] == "monotonic_tension" | |
| ): | |
| reference_stress, reference_peeq = core._j2_monotonic_reference(parameters) | |
| reference_error = max( | |
| abs(arrays["signed_equivalent_stress_pa"][-1] - reference_stress) | |
| / max(reference_stress, 1.0), | |
| abs(arrays["equivalent_plastic_strain"][-1] - reference_peeq) | |
| / max(reference_peeq, 1.0e-15), | |
| ) | |
| record: dict[str, object] = { | |
| "id": f"{index:05d}", | |
| "case_id": case_identity(parameters), | |
| "split": split, | |
| "parameters": parameters, | |
| "metrics": metrics, | |
| "initial_signed_stress_pa": float(arrays["signed_equivalent_stress_pa"][0]), | |
| "j2_analytical_relative_error": float(reference_error), | |
| } | |
| return arrays, record | |
| def generate_range(start: int, stop: int, *, force: bool = False) -> dict[str, object]: | |
| parameters = design_parameters() | |
| splits = split_assignments(parameters) | |
| if start < 0 or stop > len(parameters) or start >= stop: | |
| raise ValueError(f"Invalid range [{start}, {stop}) for {len(parameters)} samples.") | |
| if not DESIGN_PATH.exists(): | |
| write_design() | |
| started = time.perf_counter() | |
| generated = 0 | |
| reused = 0 | |
| failures: list[dict[str, object]] = [] | |
| for index in range(start, stop): | |
| row = parameters[index] | |
| case_id = case_identity(row) | |
| if not force and _sample_complete(index, case_id): | |
| reused += 1 | |
| continue | |
| sample_path, record_path = sample_paths(index) | |
| try: | |
| arrays, record = _solve_record(index, row, splits[index]) | |
| _write_npz_atomic(sample_path, arrays) | |
| _write_json_atomic(record_path, record) | |
| generated += 1 | |
| except Exception as exc: # Preserve failed identities instead of hiding them. | |
| failures.append( | |
| { | |
| "id": f"{index:05d}", | |
| "case_id": case_id, | |
| "error_type": type(exc).__name__, | |
| "error": str(exc), | |
| } | |
| ) | |
| summary = { | |
| "start": start, | |
| "stop": stop, | |
| "generated": generated, | |
| "reused": reused, | |
| "failures": failures, | |
| "wall_seconds": float(time.perf_counter() - started), | |
| } | |
| _write_json_atomic(ARTIFACT_DIR / f"range_{start:05d}_{stop:05d}.json", summary) | |
| print(json.dumps(summary, indent=2, sort_keys=True)) | |
| if failures: | |
| raise RuntimeError(f"Range [{start}, {stop}) had {len(failures)} failures.") | |
| return summary | |
| def _load_records() -> list[dict[str, object]]: | |
| count = int(load_config()["sample_count"]) | |
| records: list[dict[str, object]] = [] | |
| missing: list[int] = [] | |
| for index in range(count): | |
| _, record_path = sample_paths(index) | |
| if not record_path.exists(): | |
| missing.append(index) | |
| continue | |
| records.append(json.loads(record_path.read_text(encoding="utf-8"))) | |
| if missing: | |
| raise RuntimeError(f"Missing {len(missing)} records; first IDs: {missing[:8]}") | |
| return records | |
| def package_shards() -> dict[str, object]: | |
| config = load_config() | |
| parameters = design_parameters() | |
| records = _load_records() | |
| SHARD_DIR.mkdir(parents=True, exist_ok=True) | |
| index_rows: list[dict[str, object]] = [] | |
| shard_rows: list[dict[str, object]] = [] | |
| for shard_index, members in enumerate( | |
| np.array_split(np.arange(len(parameters), dtype=int), int(config["shard_count"])) | |
| ): | |
| output = SHARD_DIR / f"part-{shard_index:05d}.h5" | |
| temporary = output.with_suffix(".h5.tmp") | |
| with h5py.File(temporary, "w") as h5: | |
| h5.attrs["schema"] = config["schema"] | |
| h5.attrs["schema_version"] = config["schema_version"] | |
| h5.attrs["dataset_version"] = config["dataset_version"] | |
| h5.attrs["agentfem_version"] = agentfem.__version__ | |
| h5.attrs["agentfem_commit"] = AGENTFEM_COMMIT | |
| h5.attrs["numpy_version"] = np.__version__ | |
| h5.attrs["python_version"] = platform.python_version() | |
| for index in members: | |
| record = records[int(index)] | |
| sample_path, _ = sample_paths(int(index)) | |
| if not _sample_complete(int(index), str(record["case_id"])): | |
| raise RuntimeError(f"Incomplete sample: {int(index):05d}") | |
| group = h5.create_group(f"{int(index):05d}") | |
| group.attrs["case_id"] = record["case_id"] | |
| group.attrs["split"] = record["split"] | |
| group.attrs["material_model"] = record["parameters"]["material_model"] | |
| group.attrs["path_family"] = record["parameters"]["path_family"] | |
| group.attrs["parameters_json"] = json.dumps( | |
| record["parameters"], sort_keys=True | |
| ) | |
| group.attrs["metrics_json"] = json.dumps(record["metrics"], sort_keys=True) | |
| with np.load(sample_path) as arrays: | |
| for name in REQUIRED_ARRAYS: | |
| group.create_dataset( | |
| name, data=arrays[name], compression="gzip", shuffle=True | |
| ) | |
| index_rows.append( | |
| { | |
| **record, | |
| "shard": str(output.relative_to(ROOT)), | |
| } | |
| ) | |
| os.replace(temporary, output) | |
| shard_rows.append( | |
| { | |
| "path": str(output.relative_to(ROOT)), | |
| "first_id": f"{int(members[0]):05d}", | |
| "last_id": f"{int(members[-1]):05d}", | |
| "sample_count": int(len(members)), | |
| "bytes": output.stat().st_size, | |
| "sha256": _sha256(output), | |
| } | |
| ) | |
| index_rows.sort(key=lambda row: str(row["id"])) | |
| _write_jsonl_atomic(INDEX_PATH, index_rows) | |
| manifest = { | |
| "schema": config["schema"], | |
| "schema_version": config["schema_version"], | |
| "dataset_version": config["dataset_version"], | |
| "sample_count": len(parameters), | |
| "points_per_trajectory": config["points_per_trajectory"], | |
| "agentfem_version": agentfem.__version__, | |
| "agentfem_commit": AGENTFEM_COMMIT, | |
| "shards": shard_rows, | |
| } | |
| _write_json_atomic(MANIFEST_PATH, manifest) | |
| print(json.dumps(manifest, indent=2, sort_keys=True)) | |
| return manifest | |
| def _quality_failures( | |
| parameters: tuple[dict[str, object], ...], | |
| records: list[dict[str, object]], | |
| refinements: list[dict[str, object]], | |
| ) -> list[dict[str, object]]: | |
| thresholds = load_config()["quality_thresholds"] | |
| failures: list[dict[str, object]] = [] | |
| for index, (row, record) in enumerate(zip(parameters, records, strict=True)): | |
| metrics = record["metrics"] | |
| checks = { | |
| "all_finite": bool(metrics["all_finite"]), | |
| "initial_stress": abs(float(record["initial_signed_stress_pa"])) | |
| <= thresholds["initial_stress_pa"], | |
| "plastic_incompressibility": metrics["maximum_plastic_strain_trace"] | |
| <= thresholds["plastic_strain_trace"], | |
| "peeq_monotone": metrics["minimum_peeq_increment"] | |
| >= -thresholds["equivalent_plastic_strain_decrease"], | |
| "yield_surface": metrics["maximum_yield_surface_relative_residual"] | |
| <= thresholds["yield_surface_relative_residual"], | |
| "positive_total_plastic_work": metrics[ | |
| "final_cumulative_plastic_work_j_m3" | |
| ] | |
| > thresholds["final_plastic_work_minimum_j_m3"], | |
| "plastic_excitation": metrics["plastic_step_count"] > 0, | |
| } | |
| if row["material_model"] == "j2_linear_isotropic": | |
| checks["j2_nonnegative_plastic_work_increment"] = metrics[ | |
| "minimum_plastic_work_increment_j_m3" | |
| ] >= -thresholds["j2_plastic_work_negative_tolerance_j_m3"] | |
| if ( | |
| row["material_model"] == "j2_linear_isotropic" | |
| and row["path_family"] == "monotonic_tension" | |
| ): | |
| checks["j2_analytical"] = record[ | |
| "j2_analytical_relative_error" | |
| ] <= thresholds["j2_monotonic_analytical_relative_error"] | |
| if row["path_family"] == "symmetric_cyclic": | |
| checks["history_memory_contrast"] = metrics[ | |
| "zero_strain_stress_range_pa" | |
| ] >= thresholds["zero_strain_memory_contrast_pa"] | |
| failed = sorted(name for name, passed in checks.items() if not passed) | |
| if failed: | |
| failures.append({"index": index, "failed_checks": failed}) | |
| for item in refinements: | |
| failed = [] | |
| if item["maximum_stress_relative_change"] > thresholds[ | |
| "refined_stress_relative_change" | |
| ]: | |
| failed.append("refined_stress") | |
| if item["maximum_peeq_relative_change"] > thresholds[ | |
| "refined_peeq_relative_change" | |
| ]: | |
| failed.append("refined_peeq") | |
| if failed: | |
| failures.append({"index": item["index"], "failed_checks": failed}) | |
| return failures | |
| def _refinement_audits( | |
| parameters: tuple[dict[str, object], ...] | |
| ) -> list[dict[str, object]]: | |
| selected = [ | |
| index | |
| for index, row in enumerate(parameters) | |
| if int(row["replicate"]) in (0, int(load_config()["samples_per_stratum"]) - 1) | |
| ] | |
| refinements: list[dict[str, object]] = [] | |
| for index in selected: | |
| row = parameters[index] | |
| sample_path, _ = sample_paths(index) | |
| with np.load(sample_path) as coarse: | |
| coarse_stress = np.asarray(coarse["signed_equivalent_stress_pa"]) | |
| coarse_peeq = np.asarray(coarse["equivalent_plastic_strain"]) | |
| fine, _ = core.solve_trajectory(row, points=241) | |
| fine_stress = fine["signed_equivalent_stress_pa"][::2] | |
| fine_peeq = fine["equivalent_plastic_strain"][::2] | |
| stress_scale = max(float(np.max(np.abs(fine_stress))), 1.0) | |
| peeq_scale = max(float(np.max(fine_peeq)), 1.0e-15) | |
| refinements.append( | |
| { | |
| "index": index, | |
| "material_model": row["material_model"], | |
| "path_family": row["path_family"], | |
| "maximum_stress_relative_change": float( | |
| np.max(np.abs(coarse_stress - fine_stress)) / stress_scale | |
| ), | |
| "maximum_peeq_relative_change": float( | |
| np.max(np.abs(coarse_peeq - fine_peeq)) / peeq_scale | |
| ), | |
| } | |
| ) | |
| return refinements | |
| def _create_preview(parameters: tuple[dict[str, object], ...]) -> Path: | |
| ARTIFACT_DIR.mkdir(parents=True, exist_ok=True) | |
| fig, axes = plt.subplots(2, 3, figsize=(12.0, 7.2), constrained_layout=True) | |
| colors = {"j2_linear_isotropic": "#2563eb", "chaboche_combined": "#dc2626"} | |
| labels = {"j2_linear_isotropic": "J2 isotropic", "chaboche_combined": "Chaboche"} | |
| for axis, family in zip(axes.flat, PATH_FAMILIES, strict=True): | |
| for model in MATERIAL_MODELS: | |
| index = next( | |
| idx | |
| for idx, row in enumerate(parameters) | |
| if row["material_model"] == model | |
| and row["path_family"] == family | |
| and row["replicate"] == 0 | |
| ) | |
| sample_path, _ = sample_paths(index) | |
| with np.load(sample_path) as arrays: | |
| strain = np.asarray(arrays["signed_equivalent_strain"]) | |
| stress = np.asarray(arrays["signed_equivalent_stress_pa"]) | |
| axis.plot(100.0 * strain, stress / 1.0e6, color=colors[model], lw=1.8, label=labels[model]) | |
| axis.axhline(0.0, color="#9ca3af", lw=0.6) | |
| axis.axvline(0.0, color="#9ca3af", lw=0.6) | |
| axis.set_title(family.replace("_", " ").title(), fontsize=10) | |
| axis.set_xlabel("Signed equivalent strain (%)") | |
| axis.set_ylabel("Signed equivalent stress (MPa)") | |
| axis.grid(alpha=0.22) | |
| axes.flat[0].legend(frameon=False, fontsize=9) | |
| fig.suptitle( | |
| "AgentFEM T2 v1: path-dependent material memory\n" | |
| "Representative independent cases; J2 and Chaboche parameters are not matched.", | |
| fontsize=13, | |
| ) | |
| output = ARTIFACT_DIR / "hysteresis_preview.png" | |
| fig.savefig(output, dpi=180) | |
| plt.close(fig) | |
| return output | |
| def audit_dataset() -> dict[str, object]: | |
| config = load_config() | |
| parameters = design_parameters() | |
| splits = split_assignments(parameters) | |
| records = _load_records() | |
| manifest = json.loads(MANIFEST_PATH.read_text(encoding="utf-8")) | |
| integrity_failures: list[dict[str, object]] = [] | |
| observed_ids: list[str] = [] | |
| for shard in manifest["shards"]: | |
| path = ROOT / shard["path"] | |
| if _sha256(path) != shard["sha256"]: | |
| integrity_failures.append({"shard": shard["path"], "error": "sha256"}) | |
| continue | |
| with h5py.File(path, "r") as h5: | |
| observed_ids.extend(sorted(h5.keys())) | |
| for sample_id, group in h5.items(): | |
| missing = sorted(set(REQUIRED_ARRAYS) - set(group.keys())) | |
| nonfinite = [ | |
| name for name in REQUIRED_ARRAYS if name in group and not np.isfinite(group[name][:]).all() | |
| ] | |
| if missing or nonfinite: | |
| integrity_failures.append( | |
| {"id": sample_id, "missing": missing, "nonfinite": nonfinite} | |
| ) | |
| expected_ids = [f"{index:05d}" for index in range(len(parameters))] | |
| if observed_ids != expected_ids: | |
| integrity_failures.append({"error": "sample_id_coverage"}) | |
| refinements = _refinement_audits(parameters) | |
| failures = _quality_failures(parameters, records, refinements) | |
| failures.extend(integrity_failures) | |
| preview = _create_preview(parameters) | |
| summary = { | |
| "status": "accepted" if not failures else "rejected", | |
| "sample_count": len(parameters), | |
| "points_per_trajectory": config["points_per_trajectory"], | |
| "material_models": { | |
| model: sum(row["material_model"] == model for row in parameters) | |
| for model in MATERIAL_MODELS | |
| }, | |
| "path_families": { | |
| family: sum(row["path_family"] == family for row in parameters) | |
| for family in PATH_FAMILIES | |
| }, | |
| "splits": { | |
| name: sum(value == name for value in splits.values()) | |
| for name in ("train", "validation", "test") | |
| }, | |
| "all_case_ids_unique": len({case_identity(row) for row in parameters}) == len(parameters), | |
| "quality_failure_count": len(failures), | |
| "quality_failures": failures, | |
| "maximum_yield_surface_relative_residual": float( | |
| max(record["metrics"]["maximum_yield_surface_relative_residual"] for record in records) | |
| ), | |
| "maximum_plastic_strain_trace": float( | |
| max(record["metrics"]["maximum_plastic_strain_trace"] for record in records) | |
| ), | |
| "maximum_j2_analytical_relative_error": float( | |
| max(record["j2_analytical_relative_error"] for record in records) | |
| ), | |
| "minimum_symmetric_zero_strain_memory_contrast_pa": float( | |
| min( | |
| record["metrics"]["zero_strain_stress_range_pa"] | |
| for record in records | |
| if record["parameters"]["path_family"] == "symmetric_cyclic" | |
| ) | |
| ), | |
| "maximum_refined_stress_relative_change": float( | |
| max(item["maximum_stress_relative_change"] for item in refinements) | |
| ), | |
| "maximum_refined_peeq_relative_change": float( | |
| max(item["maximum_peeq_relative_change"] for item in refinements) | |
| ), | |
| "minimum_plastic_work_increment_j_m3": float( | |
| min(record["metrics"]["minimum_plastic_work_increment_j_m3"] for record in records) | |
| ), | |
| "data_bytes": int(sum(int(shard["bytes"]) for shard in manifest["shards"])), | |
| "preview": str(preview.relative_to(ROOT)), | |
| "agentfem_version": agentfem.__version__, | |
| "agentfem_commit": AGENTFEM_COMMIT, | |
| "refinement_audits": refinements, | |
| } | |
| _write_json_atomic(ARTIFACT_DIR / "quality.json", summary) | |
| report = f"""# T2 material-loading-memory v1 quality report | |
| Status: **{summary['status']}** | |
| Independent trajectories: {summary['sample_count']} | |
| Quality failures: {summary['quality_failure_count']} | |
| ## Coverage | |
| - J2 linear isotropic hardening: {summary['material_models']['j2_linear_isotropic']} | |
| - Chaboche combined hardening: {summary['material_models']['chaboche_combined']} | |
| - Six loading-path families: 168 trajectories each | |
| - Train/validation/test trajectories: 768/120/120 | |
| - Points per trajectory: {config['points_per_trajectory']} | |
| - Packaged HDF5 shards: {len(manifest['shards'])} | |
| ## Verification | |
| - Maximum yield-surface relative residual: {summary['maximum_yield_surface_relative_residual']:.3e} | |
| - Maximum plastic-strain trace: {summary['maximum_plastic_strain_trace']:.3e} | |
| - Maximum J2 monotonic analytical relative error: {summary['maximum_j2_analytical_relative_error']:.3e} | |
| - Minimum repeated-zero-strain stress contrast in symmetric cycles: {summary['minimum_symmetric_zero_strain_memory_contrast_pa'] / 1.0e6:.3f} MPa | |
| - Maximum 121-to-241-point stress change across 24 audits: {summary['maximum_refined_stress_relative_change']:.3%} | |
| - Maximum 121-to-241-point PEEQ change across 24 audits: {summary['maximum_refined_peeq_relative_change']:.3%} | |
| - Minimum raw `stress:plastic-strain-increment` diagnostic: {summary['minimum_plastic_work_increment_j_m3']:.3e} J/m^3 | |
| - All case IDs unique: {summary['all_case_ids_unique']} | |
| The data are synthetic three-dimensional small-strain material-point histories under | |
| prescribed proportional deviatoric strain. They are not structural FEM fields, an | |
| experimental material calibration, or fatigue-life labels. Chaboche remains explicitly | |
| labelled as an experimental AgentFEM capability. For Chaboche, raw stress work on plastic | |
| strain is recorded but is not labelled as thermodynamic dissipation because the current | |
| material-point contract does not expose a complete backstress storage/recovery energy split. | |
|  | |
| """ | |
| (ARTIFACT_DIR / "QUALITY_REPORT.md").write_text(report, encoding="utf-8") | |
| print(json.dumps(summary, indent=2, sort_keys=True)) | |
| if failures: | |
| raise RuntimeError(f"T2 v1 failed {len(failures)} quality checks.") | |
| return summary | |
| def validate_design() -> dict[str, object]: | |
| parameters = design_parameters() | |
| splits = split_assignments(parameters) | |
| config = load_config() | |
| result = { | |
| "sample_count": len(parameters), | |
| "unique_case_ids": len({case_identity(row) for row in parameters}), | |
| "splits": { | |
| name: sum(value == name for value in splits.values()) | |
| for name in ("train", "validation", "test") | |
| }, | |
| "strata": { | |
| f"{model}/{family}": sum( | |
| row["material_model"] == model and row["path_family"] == family | |
| for row in parameters | |
| ) | |
| for model in MATERIAL_MODELS | |
| for family in PATH_FAMILIES | |
| }, | |
| "expected": { | |
| "sample_count": config["sample_count"], | |
| "splits": config["splits"], | |
| }, | |
| } | |
| if result["sample_count"] != config["sample_count"]: | |
| raise RuntimeError("Unexpected design size.") | |
| if result["unique_case_ids"] != result["sample_count"]: | |
| raise RuntimeError("Duplicate case IDs.") | |
| if result["splits"] != config["splits"]: | |
| raise RuntimeError("Unexpected split counts.") | |
| print(json.dumps(result, indent=2, sort_keys=True)) | |
| return result | |
| def main() -> None: | |
| parser = argparse.ArgumentParser(description=__doc__) | |
| parser.add_argument("--design-only", action="store_true") | |
| parser.add_argument("--validate-design", action="store_true") | |
| parser.add_argument("--range", nargs=2, type=int, metavar=("START", "STOP")) | |
| parser.add_argument("--force", action="store_true") | |
| parser.add_argument("--package", action="store_true") | |
| parser.add_argument("--audit", action="store_true") | |
| parser.add_argument("--all", action="store_true") | |
| args = parser.parse_args() | |
| if args.design_only: | |
| print(write_design()) | |
| return | |
| if args.validate_design: | |
| validate_design() | |
| return | |
| if args.range: | |
| generate_range(args.range[0], args.range[1], force=args.force) | |
| return | |
| if args.package: | |
| package_shards() | |
| return | |
| if args.audit: | |
| audit_dataset() | |
| return | |
| if args.all: | |
| generate_range(0, int(load_config()["sample_count"]), force=args.force) | |
| package_shards() | |
| audit_dataset() | |
| return | |
| parser.error("Choose --design-only, --validate-design, --range, --package, --audit or --all.") | |
| if __name__ == "__main__": | |
| main() | |