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Release AgentFEM Material Loading Memory v1

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  1. .pytest_cache/.gitignore +2 -0
  2. .pytest_cache/CACHEDIR.TAG +4 -0
  3. .pytest_cache/README.md +8 -0
  4. .pytest_cache/v/cache/nodeids +12 -0
  5. CODE_LICENSE +159 -0
  6. DATA_LICENSE.md +12 -0
  7. README.md +106 -0
  8. SHA256SUMS +28 -0
  9. artifacts/t2_material_loading_memory_v1/QUALITY_REPORT.md +34 -0
  10. artifacts/t2_material_loading_memory_v1/baseline_metrics.json +88 -0
  11. artifacts/t2_material_loading_memory_v1/baseline_models.pt +3 -0
  12. artifacts/t2_material_loading_memory_v1/baseline_predictions.png +3 -0
  13. artifacts/t2_material_loading_memory_v1/hysteresis_preview.png +3 -0
  14. artifacts/t2_material_loading_memory_v1/quality.json +206 -0
  15. configs/t2_material_loading_memory_pilot.json +51 -0
  16. configs/t2_material_loading_memory_v1.json +53 -0
  17. data/t2_material_loading_memory_v1/design.jsonl +0 -0
  18. data/t2_material_loading_memory_v1/index.jsonl +0 -0
  19. data/t2_material_loading_memory_v1/manifest.json +75 -0
  20. data/t2_material_loading_memory_v1/shards/part-00000.h5 +3 -0
  21. data/t2_material_loading_memory_v1/shards/part-00001.h5 +3 -0
  22. data/t2_material_loading_memory_v1/shards/part-00002.h5 +3 -0
  23. data/t2_material_loading_memory_v1/shards/part-00003.h5 +3 -0
  24. data/t2_material_loading_memory_v1/shards/part-00004.h5 +3 -0
  25. data/t2_material_loading_memory_v1/shards/part-00005.h5 +3 -0
  26. data/t2_material_loading_memory_v1/shards/part-00006.h5 +3 -0
  27. data/t2_material_loading_memory_v1/shards/part-00007.h5 +3 -0
  28. src/baseline_t2_material_loading_memory.py +337 -0
  29. src/load_t2_material_loading_memory.py +79 -0
  30. src/t2_material_loading_memory.py +770 -0
  31. src/t2_material_loading_memory_v1.py +743 -0
  32. tests/test_t2_material_loading_memory.py +112 -0
  33. tests/test_t2_material_loading_memory_v1.py +72 -0
.pytest_cache/.gitignore ADDED
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+ # Created by pytest automatically.
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+ *
.pytest_cache/CACHEDIR.TAG ADDED
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+ Signature: 8a477f597d28d172789f06886806bc55
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+ # This file is a cache directory tag created by pytest.
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+ # For information about cache directory tags, see:
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+ # https://bford.info/cachedir/spec.html
.pytest_cache/README.md ADDED
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+ # pytest cache directory #
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+
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+ This directory contains data from the pytest's cache plugin,
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+ which provides the `--lf` and `--ff` options, as well as the `cache` fixture.
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+
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+ **Do not** commit this to version control.
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+
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+ See [the docs](https://docs.pytest.org/en/stable/how-to/cache.html) for more information.
.pytest_cache/v/cache/nodeids ADDED
@@ -0,0 +1,12 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ [
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+ "tests/test_t2_material_loading_memory.py::test_t2_agentfem_material_point_smoke_paths_are_physical",
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+ "tests/test_t2_material_loading_memory.py::test_t2_design_is_unique_balanced_and_split_by_trajectory",
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+ "tests/test_t2_material_loading_memory.py::test_t2_j2_monotonic_path_matches_closed_form",
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+ "tests/test_t2_material_loading_memory.py::test_t2_packaged_pilot_is_readable_when_present",
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+ "tests/test_t2_material_loading_memory.py::test_t2_prescribed_histories_have_fixed_size_and_required_reversals",
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+ "tests/test_t2_material_loading_memory.py::test_t2_refined_paths_are_nested_at_every_coarse_state",
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+ "tests/test_t2_material_loading_memory_v1.py::test_v1_design_is_unique_balanced_and_stratified",
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+ "tests/test_t2_material_loading_memory_v1.py::test_v1_histories_preserve_reversals_under_refinement",
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+ "tests/test_t2_material_loading_memory_v1.py::test_v1_packaged_data_and_lightweight_reader_when_present",
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+ "tests/test_t2_material_loading_memory_v1.py::test_v1_parameter_ranges_and_model_labels_are_explicit"
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+ ]
CODE_LICENSE ADDED
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DATA_LICENSE.md ADDED
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+ # Dataset license
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+
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+ The dataset files, metadata, figures and accompanying dataset documentation in
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+ this repository are licensed under the Creative Commons Attribution 4.0
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+ International License (CC BY 4.0).
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+
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+ License text and terms: https://creativecommons.org/licenses/by/4.0/legalcode
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+
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+ SPDX identifier: `CC-BY-4.0`
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+
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+ Attribution should identify the dataset as **AgentFEM Layered Thermoelastic
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+ Bending 2D** and link to this repository.
README.md CHANGED
@@ -1,3 +1,109 @@
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  ---
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  license: cc-by-4.0
 
 
 
 
 
 
 
 
 
 
 
 
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  ---
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  ---
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  license: cc-by-4.0
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+ task_categories:
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+ - time-series-forecasting
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+ - other
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+ tags:
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+ - constitutive-modeling
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+ - computational-mechanics
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+ - scientific-machine-learning
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+ - hysteresis
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+ - agentfem
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+ pretty_name: AgentFEM Material Loading Memory
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+ size_categories:
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+ - 1K<n<10K
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  ---
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+
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+ # AgentFEM Material Loading Memory v1
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+
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+ This dataset contains 1,008 verified synthetic material-point trajectories for
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+ path-dependent small-strain plasticity. It is designed for sequence models,
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+ constitutive surrogates, loading-path generalization, material-model discovery
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+ and reproducible scientific-ML studies.
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+
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+ ![Loading-path and hysteresis preview](artifacts/t2_material_loading_memory_v1/hysteresis_preview.png)
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+
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+ ## Dataset summary
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+
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+ - 504 J2 linear-isotropic-hardening trajectories.
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+ - 504 Chaboche combined-hardening trajectories.
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+ - Six balanced loading families: monotonic tension, unload/reload,
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+ tension/compression, symmetric cycling, mean-shifted cycling and variable
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+ amplitude.
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+ - 121 ordered states per trajectory; frames are not counted as independent
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+ samples.
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+ - Trajectory-level split: 768 train, 120 validation and 120 test cases.
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+ - Eight HDF5 shards with 126 independent trajectories per shard.
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+ - SI units, deterministic Sobol parameter design and stable case IDs.
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+
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+ Every HDF5 group stores prescribed strain, stress, plastic strain, equivalent
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+ plastic strain, plastic multiplier increments, elastic/plastic flags, trial and
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+ corrected yield information, Chaboche backstress state, raw work diagnostics,
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+ material parameters and split metadata.
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+
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+ ## Verification
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+
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+ All 1,008 trajectories passed finite-value, initial-state, plastic
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+ incompressibility, nondecreasing-PEEQ, plastic-excitation and yield-surface
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+ checks. The maximum yield-surface relative residual was `2.166e-11`; the
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+ maximum J2 monotonic analytical relative error was `4.714e-16`. Twenty-four
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+ representative 121-to-241-state refinement audits produced maximum stress and
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+ PEEQ changes of 0.387% and 0.129%, respectively. Every HDF5 shard is recorded
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+ with a SHA-256 digest in `manifest.json`.
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+
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+ The complete evidence is in
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+ `artifacts/t2_material_loading_memory_v1/QUALITY_REPORT.md`.
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+
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+ ## Baselines
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+
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+ Two compact PyTorch baselines were trained using complete-trajectory splits and
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+ train-only normalization. A pointwise MLP sees the current prescribed strain
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+ and material parameters but no loading history. A GRU sees the ordered strain
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+ history.
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+
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+ | Baseline | Test RMSE | Test MAE | Test R2 |
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+ |---|---:|---:|---:|
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+ | Pointwise MLP | 244.54 MPa | 198.82 MPa | 0.4316 |
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+ | History-aware GRU | 16.52 MPa | 12.01 MPa | 0.9974 |
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+
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+ The comparison demonstrates that the response is not a single-valued function
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+ of current strain and parameters; loading history contains essential predictive
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+ information. These are reproducible reference baselines, not claims of an
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+ optimal architecture.
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+
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+ ![Baseline predictions](artifacts/t2_material_loading_memory_v1/baseline_predictions.png)
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+
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+ ## Lightweight use
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+
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+ The reader requires only NumPy and h5py:
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+
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+ ```python
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+ from src.load_t2_material_loading_memory import load_trajectory
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+
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+ sample = load_trajectory("data/t2_material_loading_memory_v1", 0)
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+ strain = sample["history"]["signed_equivalent_strain"]
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+ stress = sample["history"]["signed_equivalent_stress_pa"]
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+ print(sample["material_model"], sample["path_family"], strain.shape, stress.shape)
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+ ```
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+
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+ ## Scope and limitations
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+
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+ The data are synthetic three-dimensional small-strain material-point histories
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+ under prescribed proportional deviatoric strain. They are not structural
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+ finite-element fields, experimental material calibration or fatigue-life
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+ labels. Damage, temperature dependence, finite strain and non-proportional
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+ multiaxial loading are outside v1.
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+
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+ Chaboche is explicitly marked as an experimental AgentFEM capability. Raw
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+ stress work on plastic strain is retained as a diagnostic, but it is not named
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+ thermodynamic dissipation because the current material-point contract does not
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+ expose a complete backstress storage/recovery energy split.
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+
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+ ## Reproducibility and license
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+
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+ The dataset was generated with AgentFEM `0.3.7.dev0`, exact commit
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+ `058faecc05aeda143d014fd229401003a9258bbb`. The frozen configuration,
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+ restartable generator, lightweight reader, baseline and tests are included.
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+
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+ Dataset contents are released under CC BY 4.0. Included source code is released
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+ under Apache-2.0.
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+ 79eddf3174eb343ef1e8dc4aef2df0a7be62819a03c594aaa22886fd49f57c2d src/t2_material_loading_memory.py
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+ 604bc6283e7a461073d03a3b69440873d46809baf9e2ca4c79dfbeaa0704a5d7 src/t2_material_loading_memory_v1.py
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+ 05c9cc11d32f54c88d3769b394b15f14bc283dc1f10b33b187b9e59166c676d6 tests/test_t2_material_loading_memory.py
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+ # T2 material-loading-memory v1 quality report
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+
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+ Status: **accepted**
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+ Independent trajectories: 1008
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+ Quality failures: 0
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+
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+ ## Coverage
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+
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+ - J2 linear isotropic hardening: 504
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+ - Chaboche combined hardening: 504
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+ - Six loading-path families: 168 trajectories each
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+ - Train/validation/test trajectories: 768/120/120
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+ - Points per trajectory: 121
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+ - Packaged HDF5 shards: 8
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+
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+ ## Verification
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+
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+ - Maximum yield-surface relative residual: 2.166e-11
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+ - Maximum plastic-strain trace: 0.000e+00
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+ - Maximum J2 monotonic analytical relative error: 4.714e-16
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+ - Minimum repeated-zero-strain stress contrast in symmetric cycles: 193.713 MPa
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+ - Maximum 121-to-241-point stress change across 24 audits: 0.387%
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+ - Maximum 121-to-241-point PEEQ change across 24 audits: 0.129%
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+ - Minimum raw `stress:plastic-strain-increment` diagnostic: -1.428e+05 J/m^3
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+ - All case IDs unique: True
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+
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+ The data are synthetic three-dimensional small-strain material-point histories under
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+ prescribed proportional deviatoric strain. They are not structural FEM fields, an
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+ experimental material calibration, or fatigue-life labels. Chaboche remains explicitly
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+ labelled as an experimental AgentFEM capability. For Chaboche, raw stress work on plastic
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+ strain is recorded but is not labelled as thermodynamic dissipation because the current
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+ material-point contract does not expose a complete backstress storage/recovery energy split.
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+
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+ ![Hysteresis preview](hysteresis_preview.png)
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+ "chaboche_isotropic_saturation_pa": [20000000.0, 120000000.0],
38
+ "chaboche_isotropic_rate": [2.0, 20.0]
39
+ },
40
+ "quality_thresholds": {
41
+ "initial_stress_pa": 0.001,
42
+ "plastic_strain_trace": 1e-10,
43
+ "equivalent_plastic_strain_decrease": 1e-12,
44
+ "yield_surface_relative_residual": 1e-8,
45
+ "j2_monotonic_analytical_relative_error": 1e-10,
46
+ "zero_strain_memory_contrast_pa": 1000000.0,
47
+ "refined_stress_relative_change": 0.02,
48
+ "refined_peeq_relative_change": 0.05,
49
+ "j2_plastic_work_negative_tolerance_j_m3": 0.01,
50
+ "final_plastic_work_minimum_j_m3": 0.0
51
+ },
52
+ "scope": "Synthetic three-dimensional small-strain material-point trajectories under prescribed proportional deviatoric strain. J2 linear isotropic hardening and experimental Chaboche combined hardening are separate labels. No experimental calibration, fatigue-life label, damage, temperature dependence, finite-strain claim or structural FEM field claim."
53
+ }
data/t2_material_loading_memory_v1/design.jsonl ADDED
The diff for this file is too large to render. See raw diff
 
data/t2_material_loading_memory_v1/index.jsonl ADDED
The diff for this file is too large to render. See raw diff
 
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1
+ """Train pointwise-MLP and history-aware GRU baselines for T2 v1."""
2
+
3
+ from __future__ import annotations
4
+
5
+ import argparse
6
+ import json
7
+ import time
8
+ from pathlib import Path
9
+
10
+ import matplotlib
11
+
12
+ matplotlib.use("Agg")
13
+ import matplotlib.pyplot as plt
14
+ import numpy as np
15
+ import torch
16
+ from torch import nn
17
+ from torch.utils.data import DataLoader, TensorDataset
18
+
19
+ try:
20
+ from src.load_t2_material_loading_memory import iter_trajectories
21
+ except ModuleNotFoundError:
22
+ from load_t2_material_loading_memory import iter_trajectories
23
+
24
+
25
+ ROOT = Path(__file__).resolve().parents[1]
26
+ DATA_DIR = ROOT / "data" / "t2_material_loading_memory_v1"
27
+ ARTIFACT_DIR = ROOT / "artifacts" / "t2_material_loading_memory_v1"
28
+ PARAMETER_NAMES = (
29
+ "young_pa",
30
+ "poisson",
31
+ "yield_stress_pa",
32
+ "hardening_modulus_pa",
33
+ "backstress_c1_pa",
34
+ "backstress_gamma1",
35
+ "backstress_c2_pa",
36
+ "backstress_gamma2",
37
+ "isotropic_saturation_pa",
38
+ "isotropic_rate",
39
+ )
40
+ MODEL_NAMES = ("j2_linear_isotropic", "chaboche_combined")
41
+ PATH_FAMILIES = (
42
+ "monotonic_tension",
43
+ "unload_reload",
44
+ "tension_compression",
45
+ "symmetric_cyclic",
46
+ "mean_shifted_cyclic",
47
+ "variable_amplitude",
48
+ )
49
+
50
+
51
+ class PointwiseMLP(nn.Module):
52
+ def __init__(self, input_size: int) -> None:
53
+ super().__init__()
54
+ self.network = nn.Sequential(
55
+ nn.Linear(input_size, 64),
56
+ nn.Tanh(),
57
+ nn.Linear(64, 64),
58
+ nn.Tanh(),
59
+ nn.Linear(64, 1),
60
+ )
61
+
62
+ def forward(self, values: torch.Tensor) -> torch.Tensor:
63
+ return self.network(values)
64
+
65
+
66
+ class HistoryGRU(nn.Module):
67
+ def __init__(self, input_size: int) -> None:
68
+ super().__init__()
69
+ self.recurrent = nn.GRU(input_size, 64, batch_first=True)
70
+ self.output = nn.Linear(64, 1)
71
+
72
+ def forward(self, values: torch.Tensor) -> torch.Tensor:
73
+ hidden, _ = self.recurrent(values)
74
+ return self.output(hidden)
75
+
76
+
77
+ def _load_arrays() -> dict[str, object]:
78
+ samples = list(iter_trajectories(DATA_DIR))
79
+ parameters = np.asarray(
80
+ [[float(sample["parameters"][name]) for name in PARAMETER_NAMES] for sample in samples],
81
+ dtype=np.float64,
82
+ )
83
+ model_one_hot = np.zeros((len(samples), len(MODEL_NAMES)), dtype=np.float64)
84
+ for index, sample in enumerate(samples):
85
+ model_one_hot[index, MODEL_NAMES.index(sample["material_model"])] = 1.0
86
+ strain = np.asarray(
87
+ [sample["history"]["signed_equivalent_strain"] for sample in samples],
88
+ dtype=np.float64,
89
+ )
90
+ stress = np.asarray(
91
+ [sample["history"]["signed_equivalent_stress_pa"] for sample in samples],
92
+ dtype=np.float64,
93
+ )
94
+ splits = np.asarray([sample["split"] for sample in samples])
95
+ train = splits == "train"
96
+ parameter_mean = parameters[train].mean(axis=0)
97
+ parameter_scale = parameters[train].std(axis=0)
98
+ parameter_scale[parameter_scale < 1.0e-15] = 1.0
99
+ normalized_parameters = (parameters - parameter_mean) / parameter_scale
100
+ strain_scale = float(np.max(np.abs(strain[train])))
101
+ normalized_strain = strain / strain_scale
102
+ delta = np.diff(normalized_strain, axis=1, prepend=normalized_strain[:, :1])
103
+ constant = np.concatenate((normalized_parameters, model_one_hot), axis=1)
104
+ repeated = np.repeat(constant[:, None, :], strain.shape[1], axis=1)
105
+ pointwise = np.concatenate((normalized_strain[:, :, None], repeated), axis=2)
106
+ history = np.concatenate(
107
+ (normalized_strain[:, :, None], delta[:, :, None], repeated), axis=2
108
+ )
109
+ stress_scale = float(np.std(stress[train]))
110
+ target = stress / stress_scale
111
+ return {
112
+ "samples": samples,
113
+ "pointwise": pointwise.astype(np.float32),
114
+ "history": history.astype(np.float32),
115
+ "target": target.astype(np.float32),
116
+ "stress_pa": stress,
117
+ "splits": splits,
118
+ "normalization": {
119
+ "parameter_names": list(PARAMETER_NAMES),
120
+ "parameter_mean": parameter_mean.tolist(),
121
+ "parameter_scale": parameter_scale.tolist(),
122
+ "strain_scale": strain_scale,
123
+ "stress_scale_pa": stress_scale,
124
+ },
125
+ }
126
+
127
+
128
+ def _train_pointwise(
129
+ features: np.ndarray,
130
+ target: np.ndarray,
131
+ train: np.ndarray,
132
+ validation: np.ndarray,
133
+ *,
134
+ epochs: int,
135
+ ) -> PointwiseMLP:
136
+ model = PointwiseMLP(features.shape[-1])
137
+ optimizer = torch.optim.Adam(model.parameters(), lr=2.0e-3)
138
+ criterion = nn.MSELoss()
139
+ x_train = torch.from_numpy(features[train].reshape(-1, features.shape[-1]))
140
+ y_train = torch.from_numpy(target[train].reshape(-1, 1))
141
+ loader = DataLoader(TensorDataset(x_train, y_train), batch_size=4096, shuffle=True)
142
+ x_validation = torch.from_numpy(
143
+ features[validation].reshape(-1, features.shape[-1])
144
+ )
145
+ y_validation = torch.from_numpy(target[validation].reshape(-1, 1))
146
+ best: dict[str, torch.Tensor] | None = None
147
+ best_loss = float("inf")
148
+ remaining = 6
149
+ for _ in range(epochs):
150
+ model.train()
151
+ for x_batch, y_batch in loader:
152
+ optimizer.zero_grad()
153
+ loss = criterion(model(x_batch), y_batch)
154
+ loss.backward()
155
+ optimizer.step()
156
+ model.eval()
157
+ with torch.no_grad():
158
+ loss = float(criterion(model(x_validation), y_validation))
159
+ if loss < best_loss - 1.0e-6:
160
+ best_loss = loss
161
+ best = {name: value.detach().clone() for name, value in model.state_dict().items()}
162
+ remaining = 6
163
+ else:
164
+ remaining -= 1
165
+ if remaining == 0:
166
+ break
167
+ if best is not None:
168
+ model.load_state_dict(best)
169
+ return model
170
+
171
+
172
+ def _train_gru(
173
+ features: np.ndarray,
174
+ target: np.ndarray,
175
+ train: np.ndarray,
176
+ validation: np.ndarray,
177
+ *,
178
+ epochs: int,
179
+ ) -> HistoryGRU:
180
+ model = HistoryGRU(features.shape[-1])
181
+ optimizer = torch.optim.Adam(model.parameters(), lr=2.0e-3)
182
+ criterion = nn.MSELoss()
183
+ loader = DataLoader(
184
+ TensorDataset(torch.from_numpy(features[train]), torch.from_numpy(target[train, :, None])),
185
+ batch_size=32,
186
+ shuffle=True,
187
+ )
188
+ x_validation = torch.from_numpy(features[validation])
189
+ y_validation = torch.from_numpy(target[validation, :, None])
190
+ best: dict[str, torch.Tensor] | None = None
191
+ best_loss = float("inf")
192
+ remaining = 8
193
+ for _ in range(epochs):
194
+ model.train()
195
+ for x_batch, y_batch in loader:
196
+ optimizer.zero_grad()
197
+ loss = criterion(model(x_batch), y_batch)
198
+ loss.backward()
199
+ optimizer.step()
200
+ model.eval()
201
+ with torch.no_grad():
202
+ loss = float(criterion(model(x_validation), y_validation))
203
+ if loss < best_loss - 1.0e-6:
204
+ best_loss = loss
205
+ best = {name: value.detach().clone() for name, value in model.state_dict().items()}
206
+ remaining = 8
207
+ else:
208
+ remaining -= 1
209
+ if remaining == 0:
210
+ break
211
+ if best is not None:
212
+ model.load_state_dict(best)
213
+ return model
214
+
215
+
216
+ def _predict(model: nn.Module, features: np.ndarray, *, batch_size: int) -> np.ndarray:
217
+ model.eval()
218
+ chunks: list[np.ndarray] = []
219
+ with torch.no_grad():
220
+ for start in range(0, len(features), batch_size):
221
+ chunks.append(model(torch.from_numpy(features[start : start + batch_size])).numpy())
222
+ return np.concatenate(chunks, axis=0).squeeze(-1)
223
+
224
+
225
+ def _metrics(reference: np.ndarray, prediction: np.ndarray) -> dict[str, float]:
226
+ error = prediction - reference
227
+ rmse = float(np.sqrt(np.mean(error**2)))
228
+ mae = float(np.mean(np.abs(error)))
229
+ centered = reference - float(np.mean(reference))
230
+ r2 = 1.0 - float(np.sum(error**2) / np.sum(centered**2))
231
+ scale = float(np.max(reference) - np.min(reference))
232
+ return {
233
+ "rmse_mpa": rmse / 1.0e6,
234
+ "mae_mpa": mae / 1.0e6,
235
+ "range_normalized_rmse": rmse / scale,
236
+ "r2": r2,
237
+ }
238
+
239
+
240
+ def train(*, mlp_epochs: int = 40, gru_epochs: int = 60) -> dict[str, object]:
241
+ torch.manual_seed(20260925)
242
+ np.random.seed(20260925)
243
+ torch.set_num_threads(min(4, torch.get_num_threads()))
244
+ torch.use_deterministic_algorithms(True)
245
+ arrays = _load_arrays()
246
+ splits = arrays["splits"]
247
+ train_mask = splits == "train"
248
+ validation_mask = splits == "validation"
249
+ test_mask = splits == "test"
250
+ started = time.perf_counter()
251
+ mlp = _train_pointwise(
252
+ arrays["pointwise"],
253
+ arrays["target"],
254
+ train_mask,
255
+ validation_mask,
256
+ epochs=mlp_epochs,
257
+ )
258
+ gru = _train_gru(
259
+ arrays["history"],
260
+ arrays["target"],
261
+ train_mask,
262
+ validation_mask,
263
+ epochs=gru_epochs,
264
+ )
265
+ stress_scale = arrays["normalization"]["stress_scale_pa"]
266
+ mlp_prediction = _predict(mlp, arrays["pointwise"], batch_size=128) * stress_scale
267
+ gru_prediction = _predict(gru, arrays["history"], batch_size=64) * stress_scale
268
+ reference = arrays["stress_pa"]
269
+ metrics: dict[str, object] = {
270
+ "status": "completed",
271
+ "task": "signed-equivalent-stress history prediction",
272
+ "split_policy": "complete trajectories; normalization fitted on train only",
273
+ "test_trajectory_count": int(np.count_nonzero(test_mask)),
274
+ "pointwise_mlp": {"overall": _metrics(reference[test_mask], mlp_prediction[test_mask])},
275
+ "history_gru": {"overall": _metrics(reference[test_mask], gru_prediction[test_mask])},
276
+ "wall_seconds": float(time.perf_counter() - started),
277
+ "torch_version": torch.__version__,
278
+ "normalization": arrays["normalization"],
279
+ }
280
+ samples = arrays["samples"]
281
+ for model_name in MODEL_NAMES:
282
+ mask = test_mask & np.asarray(
283
+ [sample["material_model"] == model_name for sample in samples]
284
+ )
285
+ metrics["pointwise_mlp"][model_name] = _metrics(reference[mask], mlp_prediction[mask])
286
+ metrics["history_gru"][model_name] = _metrics(reference[mask], gru_prediction[mask])
287
+
288
+ ARTIFACT_DIR.mkdir(parents=True, exist_ok=True)
289
+ (ARTIFACT_DIR / "baseline_metrics.json").write_text(
290
+ json.dumps(metrics, indent=2, sort_keys=True) + "\n", encoding="utf-8"
291
+ )
292
+ torch.save(
293
+ {
294
+ "pointwise_mlp": mlp.state_dict(),
295
+ "history_gru": gru.state_dict(),
296
+ "normalization": arrays["normalization"],
297
+ "parameter_names": PARAMETER_NAMES,
298
+ "model_names": MODEL_NAMES,
299
+ },
300
+ ARTIFACT_DIR / "baseline_models.pt",
301
+ )
302
+
303
+ fig, axes = plt.subplots(2, 3, figsize=(12.0, 7.2), constrained_layout=True)
304
+ for axis, family in zip(axes.flat, PATH_FAMILIES, strict=True):
305
+ index = next(
306
+ idx
307
+ for idx, sample in enumerate(samples)
308
+ if test_mask[idx]
309
+ and sample["material_model"] == "chaboche_combined"
310
+ and sample["path_family"] == family
311
+ )
312
+ strain = 100.0 * samples[index]["history"]["signed_equivalent_strain"]
313
+ axis.plot(strain, reference[index] / 1.0e6, color="#111827", lw=2.0, label="AgentFEM")
314
+ axis.plot(strain, mlp_prediction[index] / 1.0e6, color="#f59e0b", lw=1.2, label="Pointwise MLP")
315
+ axis.plot(strain, gru_prediction[index] / 1.0e6, color="#2563eb", lw=1.5, label="History GRU")
316
+ axis.set_title(family.replace("_", " ").title(), fontsize=10)
317
+ axis.set_xlabel("Signed equivalent strain (%)")
318
+ axis.set_ylabel("Signed equivalent stress (MPa)")
319
+ axis.grid(alpha=0.22)
320
+ axes.flat[0].legend(frameon=False, fontsize=8)
321
+ fig.suptitle("T2 v1 baseline comparison on held-out Chaboche trajectories", fontsize=13)
322
+ fig.savefig(ARTIFACT_DIR / "baseline_predictions.png", dpi=180)
323
+ plt.close(fig)
324
+ print(json.dumps(metrics, indent=2, sort_keys=True))
325
+ return metrics
326
+
327
+
328
+ def main() -> None:
329
+ parser = argparse.ArgumentParser(description=__doc__)
330
+ parser.add_argument("--mlp-epochs", type=int, default=40)
331
+ parser.add_argument("--gru-epochs", type=int, default=60)
332
+ args = parser.parse_args()
333
+ train(mlp_epochs=args.mlp_epochs, gru_epochs=args.gru_epochs)
334
+
335
+
336
+ if __name__ == "__main__":
337
+ main()
src/load_t2_material_loading_memory.py ADDED
@@ -0,0 +1,79 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """Lightweight reader for T2 material-loading-memory HDF5 shards."""
2
+
3
+ from __future__ import annotations
4
+
5
+ import json
6
+ from pathlib import Path
7
+ from typing import Iterator
8
+
9
+ import h5py
10
+ import numpy as np
11
+
12
+
13
+ def load_manifest(dataset_root: str | Path) -> dict[str, object]:
14
+ root = Path(dataset_root)
15
+ return json.loads((root / "manifest.json").read_text(encoding="utf-8"))
16
+
17
+
18
+ def _resolve_shard(root: Path, relative_path: str) -> Path:
19
+ candidate = root / "shards" / Path(relative_path).name
20
+ if candidate.exists():
21
+ return candidate
22
+ return root.parents[1] / relative_path
23
+
24
+
25
+ def _group_to_sample(sample_id: str, group: h5py.Group) -> dict[str, object]:
26
+ return {
27
+ "id": sample_id,
28
+ "case_id": str(group.attrs["case_id"]),
29
+ "split": str(group.attrs["split"]),
30
+ "material_model": str(group.attrs["material_model"]),
31
+ "path_family": str(group.attrs["path_family"]),
32
+ "parameters": json.loads(str(group.attrs["parameters_json"])),
33
+ "metrics": json.loads(str(group.attrs["metrics_json"])),
34
+ "history": {name: np.asarray(group[name]) for name in group.keys()},
35
+ }
36
+
37
+
38
+ def iter_trajectories(
39
+ dataset_root: str | Path,
40
+ *,
41
+ split: str | None = None,
42
+ material_model: str | None = None,
43
+ path_family: str | None = None,
44
+ ) -> Iterator[dict[str, object]]:
45
+ """Yield copied histories, optionally filtered by trajectory metadata."""
46
+
47
+ root = Path(dataset_root)
48
+ manifest = load_manifest(root)
49
+ for shard in manifest["shards"]:
50
+ with h5py.File(_resolve_shard(root, shard["path"]), "r") as h5:
51
+ for sample_id in sorted(h5.keys()):
52
+ group = h5[sample_id]
53
+ if split is not None and str(group.attrs["split"]) != split:
54
+ continue
55
+ if (
56
+ material_model is not None
57
+ and str(group.attrs["material_model"]) != material_model
58
+ ):
59
+ continue
60
+ if (
61
+ path_family is not None
62
+ and str(group.attrs["path_family"]) != path_family
63
+ ):
64
+ continue
65
+ yield _group_to_sample(sample_id, group)
66
+
67
+
68
+ def load_trajectory(
69
+ dataset_root: str | Path, sample_id: str | int
70
+ ) -> dict[str, object]:
71
+ target = f"{int(sample_id):05d}"
72
+ root = Path(dataset_root)
73
+ manifest = load_manifest(root)
74
+ for shard in manifest["shards"]:
75
+ if shard["first_id"] <= target <= shard["last_id"]:
76
+ with h5py.File(_resolve_shard(root, shard["path"]), "r") as h5:
77
+ if target in h5:
78
+ return _group_to_sample(target, h5[target])
79
+ raise KeyError(f"Unknown trajectory id: {target}")
src/t2_material_loading_memory.py ADDED
@@ -0,0 +1,770 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """Generate the T2 material-loading-memory pilot dataset.
2
+
3
+ The sample unit is one complete material-point trajectory. Time frames are not
4
+ counted as independent samples. The pilot deliberately keeps J2 linear
5
+ isotropic hardening and Chaboche combined hardening as separate model labels.
6
+ """
7
+
8
+ from __future__ import annotations
9
+
10
+ import argparse
11
+ import hashlib
12
+ import json
13
+ import os
14
+ import platform
15
+ import time
16
+ from pathlib import Path
17
+
18
+ import h5py
19
+ import matplotlib
20
+
21
+ matplotlib.use("Agg")
22
+ import matplotlib.pyplot as plt
23
+ import numpy as np
24
+ from scipy.stats import qmc
25
+
26
+ import agentfem
27
+ from agentfem import campaigns, constitutive
28
+
29
+
30
+ ROOT = Path(__file__).resolve().parents[1]
31
+ CONFIG_PATH = ROOT / "configs" / "t2_material_loading_memory_pilot.json"
32
+ DATA_DIR = ROOT / "data" / "t2_material_loading_memory_pilot"
33
+ ARTIFACT_DIR = ROOT / "artifacts" / "t2_material_loading_memory_pilot"
34
+ DATA_PATH = DATA_DIR / "t2_material_loading_memory_pilot.h5"
35
+ DESIGN_PATH = DATA_DIR / "design.jsonl"
36
+ INDEX_PATH = DATA_DIR / "index.jsonl"
37
+
38
+ AGENTFEM_COMMIT = "058faecc05aeda143d014fd229401003a9258bbb"
39
+ MATERIAL_MODELS = ("j2_linear_isotropic", "chaboche_combined")
40
+ PATH_FAMILIES = (
41
+ "monotonic_tension",
42
+ "unload_reload",
43
+ "tension_compression",
44
+ "symmetric_cyclic",
45
+ "mean_shifted_cyclic",
46
+ "variable_amplitude",
47
+ )
48
+
49
+
50
+ def load_config() -> dict[str, object]:
51
+ return json.loads(CONFIG_PATH.read_text(encoding="utf-8"))
52
+
53
+
54
+ def _scale(value: float, bounds: list[float]) -> float:
55
+ return float(bounds[0] + value * (bounds[1] - bounds[0]))
56
+
57
+
58
+ def design_parameters(seed: int | None = None) -> tuple[dict[str, object], ...]:
59
+ """Return a deterministic balanced 96-trajectory Sobol design."""
60
+
61
+ config = load_config()
62
+ actual_seed = int(config["seed"] if seed is None else seed)
63
+ ranges = config["ranges"]
64
+ unit = qmc.Sobol(12, scramble=True, seed=actual_seed).random_base2(7)
65
+ rows: list[dict[str, object]] = []
66
+ cursor = 0
67
+ for material_model in MATERIAL_MODELS:
68
+ for path_family in PATH_FAMILIES:
69
+ for replicate in range(8):
70
+ u = unit[cursor]
71
+ cursor += 1
72
+ row: dict[str, object] = {
73
+ "material_model": material_model,
74
+ "path_family": path_family,
75
+ "replicate": replicate,
76
+ "young_pa": _scale(u[0], ranges["young_pa"]),
77
+ "poisson": _scale(u[1], ranges["poisson"]),
78
+ "yield_stress_pa": _scale(u[2], ranges["yield_stress_pa"]),
79
+ "maximum_equivalent_strain": _scale(
80
+ u[3], ranges["maximum_equivalent_strain"]
81
+ ),
82
+ "path_shape_a": float(u[10]),
83
+ "path_shape_b": float(u[11]),
84
+ }
85
+ if material_model == "j2_linear_isotropic":
86
+ row.update(
87
+ {
88
+ "hardening_modulus_pa": _scale(
89
+ u[4], ranges["j2_hardening_modulus_pa"]
90
+ ),
91
+ "backstress_c1_pa": 0.0,
92
+ "backstress_gamma1": 0.0,
93
+ "backstress_c2_pa": 0.0,
94
+ "backstress_gamma2": 0.0,
95
+ "isotropic_saturation_pa": 0.0,
96
+ "isotropic_rate": 0.0,
97
+ }
98
+ )
99
+ else:
100
+ row.update(
101
+ {
102
+ "hardening_modulus_pa": 0.0,
103
+ "backstress_c1_pa": _scale(
104
+ u[4], ranges["chaboche_c1_pa"]
105
+ ),
106
+ "backstress_gamma1": _scale(
107
+ u[5], ranges["chaboche_gamma1"]
108
+ ),
109
+ "backstress_c2_pa": _scale(
110
+ u[6], ranges["chaboche_c2_pa"]
111
+ ),
112
+ "backstress_gamma2": _scale(
113
+ u[7], ranges["chaboche_gamma2"]
114
+ ),
115
+ "isotropic_saturation_pa": _scale(
116
+ u[8], ranges["chaboche_isotropic_saturation_pa"]
117
+ ),
118
+ "isotropic_rate": _scale(
119
+ u[9], ranges["chaboche_isotropic_rate"]
120
+ ),
121
+ }
122
+ )
123
+ rows.append(row)
124
+ if len(rows) != int(config["sample_count"]):
125
+ raise RuntimeError("T2 design size differs from the frozen configuration.")
126
+ return tuple(rows)
127
+
128
+
129
+ def case_identity(parameters: dict[str, object]) -> str:
130
+ return campaigns.case_id("t2_material_loading_memory_pilot", parameters)
131
+
132
+
133
+ def split_assignments(parameters: tuple[dict[str, object], ...]) -> dict[int, str]:
134
+ """Create 6/1/1 train/validation/test splits within every stratum."""
135
+
136
+ seed = int(load_config()["seed"])
137
+ result: dict[int, str] = {}
138
+ for model_index, material_model in enumerate(MATERIAL_MODELS):
139
+ for path_index, path_family in enumerate(PATH_FAMILIES):
140
+ members = np.asarray(
141
+ [
142
+ index
143
+ for index, row in enumerate(parameters)
144
+ if row["material_model"] == material_model
145
+ and row["path_family"] == path_family
146
+ ],
147
+ dtype=int,
148
+ )
149
+ rng = np.random.default_rng(seed + 100 * model_index + path_index)
150
+ members = rng.permutation(members)
151
+ for index in members[:6]:
152
+ result[int(index)] = "train"
153
+ result[int(members[6])] = "validation"
154
+ result[int(members[7])] = "test"
155
+ return result
156
+
157
+
158
+ def path_anchors(parameters: dict[str, object]) -> np.ndarray:
159
+ """Return signed equivalent-deviatoric-strain control points."""
160
+
161
+ amplitude = float(parameters["maximum_equivalent_strain"])
162
+ a = float(parameters["path_shape_a"])
163
+ b = float(parameters["path_shape_b"])
164
+ family = str(parameters["path_family"])
165
+ if family == "monotonic_tension":
166
+ values = (0.0, amplitude)
167
+ elif family == "unload_reload":
168
+ unload = amplitude * (-0.25 + 0.60 * a)
169
+ reload = amplitude * (0.85 + 0.30 * b)
170
+ values = (0.0, amplitude, unload, reload)
171
+ elif family == "tension_compression":
172
+ reverse = -amplitude * (0.70 + 0.45 * a)
173
+ values = (0.0, amplitude, reverse)
174
+ elif family == "symmetric_cyclic":
175
+ values = (0.0, amplitude, -amplitude, amplitude, -amplitude, amplitude)
176
+ elif family == "mean_shifted_cyclic":
177
+ lower = -amplitude * (0.25 + 0.40 * a)
178
+ upper = amplitude * (0.90 + 0.10 * b)
179
+ values = (0.0, upper, lower, upper, lower, upper)
180
+ elif family == "variable_amplitude":
181
+ first_reverse = -amplitude * (0.55 + 0.30 * a)
182
+ second_reverse = -amplitude * (0.25 + 0.35 * b)
183
+ values = (
184
+ 0.0,
185
+ 0.45 * amplitude,
186
+ first_reverse,
187
+ amplitude,
188
+ second_reverse,
189
+ 0.75 * amplitude,
190
+ -amplitude,
191
+ 0.20 * amplitude,
192
+ )
193
+ else:
194
+ raise ValueError(f"Unknown path family: {family}")
195
+ return np.asarray(values, dtype=float)
196
+
197
+
198
+ def prescribed_history(
199
+ parameters: dict[str, object], *, points: int | None = None
200
+ ) -> tuple[np.ndarray, np.ndarray, np.ndarray]:
201
+ """Return a path that samples every reversal anchor exactly.
202
+
203
+ The 241-point refinement doubles the interval count of every 121-point
204
+ segment. Therefore every coarse state is present at ``fine[::2]`` and the
205
+ refinement audit measures constitutive integration, not a missed path
206
+ extremum.
207
+ """
208
+
209
+ base_count = int(load_config()["points_per_trajectory"])
210
+ count = int(base_count if points is None else points)
211
+ if count < 3 or count % 2 == 0:
212
+ raise ValueError("points must be an odd integer of at least three.")
213
+ anchors = path_anchors(parameters)
214
+ segments = len(anchors) - 1
215
+
216
+ def allocated(intervals: int) -> np.ndarray:
217
+ if intervals < segments:
218
+ raise ValueError("points must provide at least one interval per segment.")
219
+ values = np.full(segments, intervals // segments, dtype=int)
220
+ values[: intervals % segments] += 1
221
+ return values
222
+
223
+ base_segments = allocated(base_count - 1)
224
+ if (count - 1) % (base_count - 1) == 0:
225
+ segment_intervals = base_segments * ((count - 1) // (base_count - 1))
226
+ else:
227
+ segment_intervals = allocated(count - 1)
228
+ pieces: list[np.ndarray] = []
229
+ for index, intervals in enumerate(segment_intervals):
230
+ values = np.linspace(anchors[index], anchors[index + 1], intervals + 1)
231
+ pieces.append(values if index == 0 else values[1:])
232
+ scalar_strain = np.concatenate(pieces)
233
+ if len(scalar_strain) != count:
234
+ raise RuntimeError("Piecewise path allocation produced the wrong point count.")
235
+ time_coordinate = np.linspace(0.0, 1.0, count)
236
+ return time_coordinate, scalar_strain, anchors
237
+
238
+
239
+ def _strain_tensor(signed_equivalent_strain: float) -> np.ndarray:
240
+ value = float(signed_equivalent_strain)
241
+ return np.diag((value, -0.5 * value, -0.5 * value))
242
+
243
+
244
+ def _material(parameters: dict[str, object]):
245
+ if parameters["material_model"] == "j2_linear_isotropic":
246
+ return constitutive.J2LinearIsotropicHardening(
247
+ young=float(parameters["young_pa"]),
248
+ poisson=float(parameters["poisson"]),
249
+ yield_stress=float(parameters["yield_stress_pa"]),
250
+ hardening_modulus=float(parameters["hardening_modulus_pa"]),
251
+ )
252
+ return constitutive.chaboche(
253
+ young=float(parameters["young_pa"]),
254
+ poisson=float(parameters["poisson"]),
255
+ yield_stress=float(parameters["yield_stress_pa"]),
256
+ backstresses=(
257
+ (
258
+ float(parameters["backstress_c1_pa"]),
259
+ float(parameters["backstress_gamma1"]),
260
+ ),
261
+ (
262
+ float(parameters["backstress_c2_pa"]),
263
+ float(parameters["backstress_gamma2"]),
264
+ ),
265
+ ),
266
+ isotropic_saturation=float(parameters["isotropic_saturation_pa"]),
267
+ isotropic_rate=float(parameters["isotropic_rate"]),
268
+ )
269
+
270
+
271
+ def solve_trajectory(
272
+ parameters: dict[str, object], *, points: int | None = None
273
+ ) -> tuple[dict[str, np.ndarray], dict[str, float | int | bool]]:
274
+ """Integrate one committed material-point path through AgentFEM."""
275
+
276
+ time_coordinate, scalar_strain, anchors = prescribed_history(
277
+ parameters, points=points
278
+ )
279
+ material = _material(parameters)
280
+ count = len(time_coordinate)
281
+ total_strain = np.empty((count, 3, 3), dtype=float)
282
+ stress = np.empty((count, 3, 3), dtype=float)
283
+ plastic_strain = np.empty((count, 3, 3), dtype=float)
284
+ peeq = np.empty(count, dtype=float)
285
+ signed_stress = np.empty(count, dtype=float)
286
+ mises = np.empty(count, dtype=float)
287
+ shifted_mises = np.empty(count, dtype=float)
288
+ yield_radius = np.empty(count, dtype=float)
289
+ trial_yield = np.empty(count, dtype=float)
290
+ plastic_increment = np.empty(count, dtype=float)
291
+ elastic = np.empty(count, dtype=np.uint8)
292
+ backstress = np.zeros((count, 3, 3), dtype=float)
293
+ backstress_components = np.zeros((count, 2, 3, 3), dtype=float)
294
+ state = None
295
+
296
+ for index, value in enumerate(scalar_strain):
297
+ strain = _strain_tensor(value)
298
+ update = material.update(strain, state)
299
+ state = update.state
300
+ total_strain[index] = strain
301
+ stress[index] = update.stress
302
+ plastic_strain[index] = state.plastic_strain
303
+ peeq[index] = state.equivalent_plastic_strain
304
+ signed_stress[index] = update.stress[0, 0] - update.stress[1, 1]
305
+ mises[index] = constitutive.von_mises(update.stress)
306
+ trial_yield[index] = update.yield_function_trial
307
+ plastic_increment[index] = update.plastic_multiplier_increment
308
+ elastic[index] = np.uint8(update.elastic)
309
+ if parameters["material_model"] == "chaboche_combined":
310
+ backstress[index] = state.total_backstress
311
+ backstress_components[index] = state.backstresses
312
+ shifted_mises[index] = constitutive.von_mises(
313
+ update.stress - backstress[index]
314
+ )
315
+ yield_radius[index] = material.current_yield_stress(peeq[index])
316
+
317
+ plastic_work_increment = np.zeros(count, dtype=float)
318
+ external_work_increment = np.zeros(count, dtype=float)
319
+ for index in range(1, count):
320
+ mean_stress = 0.5 * (stress[index] + stress[index - 1])
321
+ plastic_work_increment[index] = float(
322
+ np.tensordot(
323
+ mean_stress,
324
+ plastic_strain[index] - plastic_strain[index - 1],
325
+ )
326
+ )
327
+ external_work_increment[index] = float(
328
+ np.tensordot(
329
+ mean_stress,
330
+ total_strain[index] - total_strain[index - 1],
331
+ )
332
+ )
333
+ arrays = {
334
+ "time_coordinate": time_coordinate,
335
+ "path_anchors": anchors,
336
+ "signed_equivalent_strain": scalar_strain,
337
+ "total_strain": total_strain,
338
+ "stress_pa": stress,
339
+ "signed_equivalent_stress_pa": signed_stress,
340
+ "mises_stress_pa": mises,
341
+ "plastic_strain": plastic_strain,
342
+ "equivalent_plastic_strain": peeq,
343
+ "plastic_multiplier_increment": plastic_increment,
344
+ "elastic_step": elastic,
345
+ "trial_yield_function_pa": trial_yield,
346
+ "yield_radius_pa": yield_radius,
347
+ "shifted_mises_stress_pa": shifted_mises,
348
+ "backstress_pa": backstress,
349
+ "backstress_components_pa": backstress_components,
350
+ "plastic_work_increment_j_m3": plastic_work_increment,
351
+ "cumulative_plastic_work_j_m3": np.cumsum(plastic_work_increment),
352
+ "external_work_increment_j_m3": external_work_increment,
353
+ "cumulative_external_work_j_m3": np.cumsum(external_work_increment),
354
+ }
355
+ plastic_mask = plastic_increment > 0.0
356
+ zero_strain_mask = np.abs(scalar_strain) <= 1.0e-14
357
+ residual = np.abs(shifted_mises - yield_radius) / np.maximum(
358
+ yield_radius, 1.0
359
+ )
360
+ metrics: dict[str, float | int | bool] = {
361
+ "maximum_absolute_stress_pa": float(np.max(np.abs(signed_stress))),
362
+ "final_equivalent_plastic_strain": float(peeq[-1]),
363
+ "maximum_equivalent_plastic_strain": float(np.max(peeq)),
364
+ "final_cumulative_plastic_work_j_m3": float(
365
+ np.sum(plastic_work_increment)
366
+ ),
367
+ "plastic_step_count": int(np.count_nonzero(plastic_mask)),
368
+ "maximum_plastic_strain_trace": float(
369
+ np.max(np.abs(np.trace(plastic_strain, axis1=1, axis2=2)))
370
+ ),
371
+ "maximum_yield_surface_relative_residual": float(
372
+ np.max(residual[plastic_mask]) if np.any(plastic_mask) else 0.0
373
+ ),
374
+ "minimum_peeq_increment": float(np.min(np.diff(peeq))),
375
+ "minimum_plastic_work_increment_j_m3": float(
376
+ np.min(plastic_work_increment)
377
+ ),
378
+ "zero_strain_stress_range_pa": float(
379
+ np.ptp(signed_stress[zero_strain_mask])
380
+ if np.count_nonzero(zero_strain_mask) >= 2
381
+ else 0.0
382
+ ),
383
+ "all_finite": bool(
384
+ all(np.all(np.isfinite(value)) for value in arrays.values())
385
+ ),
386
+ }
387
+ return arrays, metrics
388
+
389
+
390
+ def _j2_monotonic_reference(parameters: dict[str, object]) -> tuple[float, float]:
391
+ strain = float(parameters["maximum_equivalent_strain"])
392
+ young = float(parameters["young_pa"])
393
+ poisson = float(parameters["poisson"])
394
+ shear = young / (2.0 * (1.0 + poisson))
395
+ yield_stress = float(parameters["yield_stress_pa"])
396
+ hardening = float(parameters["hardening_modulus_pa"])
397
+ trial = 3.0 * shear * strain
398
+ increment = max(0.0, (trial - yield_stress) / (3.0 * shear + hardening))
399
+ return yield_stress + hardening * increment, increment
400
+
401
+
402
+ def _sha256(path: Path) -> str:
403
+ digest = hashlib.sha256()
404
+ with path.open("rb") as stream:
405
+ for block in iter(lambda: stream.read(1024 * 1024), b""):
406
+ digest.update(block)
407
+ return digest.hexdigest()
408
+
409
+
410
+ def _write_json_atomic(path: Path, value: object) -> None:
411
+ temporary = path.with_suffix(path.suffix + ".tmp")
412
+ temporary.write_text(
413
+ json.dumps(value, indent=2, sort_keys=True) + "\n", encoding="utf-8"
414
+ )
415
+ os.replace(temporary, path)
416
+
417
+
418
+ def _write_jsonl_atomic(path: Path, rows: list[dict[str, object]]) -> None:
419
+ temporary = path.with_suffix(path.suffix + ".tmp")
420
+ with temporary.open("w", encoding="utf-8") as stream:
421
+ for row in rows:
422
+ stream.write(json.dumps(row, sort_keys=True) + "\n")
423
+ os.replace(temporary, path)
424
+
425
+
426
+ def _quality_failures(
427
+ parameters: tuple[dict[str, object], ...],
428
+ records: list[dict[str, object]],
429
+ refinements: list[dict[str, object]],
430
+ ) -> list[dict[str, object]]:
431
+ thresholds = load_config()["quality_thresholds"]
432
+ failures: list[dict[str, object]] = []
433
+ for index, (row, record) in enumerate(zip(parameters, records, strict=True)):
434
+ metrics = record["metrics"]
435
+ checks = {
436
+ "all_finite": bool(metrics["all_finite"]),
437
+ "initial_stress": abs(float(record["initial_signed_stress_pa"]))
438
+ <= thresholds["initial_stress_pa"],
439
+ "plastic_incompressibility": metrics["maximum_plastic_strain_trace"]
440
+ <= thresholds["plastic_strain_trace"],
441
+ "peeq_monotone": metrics["minimum_peeq_increment"]
442
+ >= -thresholds["equivalent_plastic_strain_decrease"],
443
+ "yield_surface": metrics["maximum_yield_surface_relative_residual"]
444
+ <= thresholds["yield_surface_relative_residual"],
445
+ "positive_total_plastic_work": metrics[
446
+ "final_cumulative_plastic_work_j_m3"
447
+ ]
448
+ > thresholds["final_plastic_work_minimum_j_m3"],
449
+ "plastic_excitation": metrics["plastic_step_count"] > 0,
450
+ }
451
+ if row["material_model"] == "j2_linear_isotropic":
452
+ checks["j2_nonnegative_plastic_work_increment"] = metrics[
453
+ "minimum_plastic_work_increment_j_m3"
454
+ ] >= -thresholds["j2_plastic_work_negative_tolerance_j_m3"]
455
+ if (
456
+ row["material_model"] == "j2_linear_isotropic"
457
+ and row["path_family"] == "monotonic_tension"
458
+ ):
459
+ checks["j2_analytical"] = (
460
+ record["j2_analytical_relative_error"]
461
+ <= thresholds["j2_monotonic_analytical_relative_error"]
462
+ )
463
+ if row["path_family"] == "symmetric_cyclic":
464
+ checks["history_memory_contrast"] = metrics[
465
+ "zero_strain_stress_range_pa"
466
+ ] >= thresholds["zero_strain_memory_contrast_pa"]
467
+ failed = sorted(name for name, passed in checks.items() if not passed)
468
+ if failed:
469
+ failures.append({"index": index, "failed_checks": failed})
470
+ for item in refinements:
471
+ failed = []
472
+ if item["maximum_stress_relative_change"] > thresholds[
473
+ "refined_stress_relative_change"
474
+ ]:
475
+ failed.append("refined_stress")
476
+ if item["maximum_peeq_relative_change"] > thresholds[
477
+ "refined_peeq_relative_change"
478
+ ]:
479
+ failed.append("refined_peeq")
480
+ if failed:
481
+ failures.append({"index": item["index"], "failed_checks": failed})
482
+ return failures
483
+
484
+
485
+ def _plot_preview(
486
+ parameters: tuple[dict[str, object], ...],
487
+ stored: dict[int, dict[str, np.ndarray]],
488
+ ) -> Path:
489
+ ARTIFACT_DIR.mkdir(parents=True, exist_ok=True)
490
+ fig, axes = plt.subplots(2, 3, figsize=(12.0, 7.2), constrained_layout=True)
491
+ colors = {"j2_linear_isotropic": "#2563eb", "chaboche_combined": "#dc2626"}
492
+ labels = {"j2_linear_isotropic": "J2 isotropic", "chaboche_combined": "Chaboche"}
493
+ for axis, family in zip(axes.flat, PATH_FAMILIES, strict=True):
494
+ for model in MATERIAL_MODELS:
495
+ index = next(
496
+ idx
497
+ for idx, row in enumerate(parameters)
498
+ if row["material_model"] == model
499
+ and row["path_family"] == family
500
+ and row["replicate"] == 0
501
+ )
502
+ arrays = stored[index]
503
+ axis.plot(
504
+ 100.0 * arrays["signed_equivalent_strain"],
505
+ arrays["signed_equivalent_stress_pa"] / 1.0e6,
506
+ color=colors[model],
507
+ lw=1.8,
508
+ label=labels[model],
509
+ )
510
+ axis.axhline(0.0, color="#9ca3af", lw=0.6)
511
+ axis.axvline(0.0, color="#9ca3af", lw=0.6)
512
+ axis.set_title(family.replace("_", " ").title(), fontsize=10)
513
+ axis.set_xlabel("Signed equivalent strain (%)")
514
+ axis.set_ylabel("Signed equivalent stress (MPa)")
515
+ axis.grid(alpha=0.22)
516
+ axes.flat[0].legend(frameon=False, fontsize=9)
517
+ fig.suptitle(
518
+ "AgentFEM T2 pilot: path-dependent material memory\n"
519
+ "Representative independent cases; J2 and Chaboche parameters are not matched.",
520
+ fontsize=13,
521
+ )
522
+ output = ARTIFACT_DIR / "hysteresis_preview.png"
523
+ fig.savefig(output, dpi=180)
524
+ plt.close(fig)
525
+ return output
526
+
527
+
528
+ def generate() -> dict[str, object]:
529
+ config = load_config()
530
+ parameters = design_parameters()
531
+ splits = split_assignments(parameters)
532
+ DATA_DIR.mkdir(parents=True, exist_ok=True)
533
+ ARTIFACT_DIR.mkdir(parents=True, exist_ok=True)
534
+ design_rows: list[dict[str, object]] = []
535
+ records: list[dict[str, object]] = []
536
+ stored: dict[int, dict[str, np.ndarray]] = {}
537
+ started = time.perf_counter()
538
+ temporary = DATA_PATH.with_suffix(".h5.tmp")
539
+ with h5py.File(temporary, "w") as h5:
540
+ h5.attrs["schema"] = config["schema"]
541
+ h5.attrs["schema_version"] = config["schema_version"]
542
+ h5.attrs["dataset_version"] = config["dataset_version"]
543
+ h5.attrs["agentfem_version"] = agentfem.__version__
544
+ h5.attrs["agentfem_commit"] = AGENTFEM_COMMIT
545
+ h5.attrs["numpy_version"] = np.__version__
546
+ h5.attrs["python_version"] = platform.python_version()
547
+ for index, row in enumerate(parameters):
548
+ case_id = case_identity(row)
549
+ split = splits[index]
550
+ arrays, metrics = solve_trajectory(row)
551
+ reference_error = 0.0
552
+ if (
553
+ row["material_model"] == "j2_linear_isotropic"
554
+ and row["path_family"] == "monotonic_tension"
555
+ ):
556
+ reference_stress, reference_peeq = _j2_monotonic_reference(row)
557
+ reference_error = max(
558
+ abs(arrays["signed_equivalent_stress_pa"][-1] - reference_stress)
559
+ / max(reference_stress, 1.0),
560
+ abs(arrays["equivalent_plastic_strain"][-1] - reference_peeq)
561
+ / max(reference_peeq, 1.0e-15),
562
+ )
563
+ record: dict[str, object] = {
564
+ "id": f"{index:05d}",
565
+ "case_id": case_id,
566
+ "split": split,
567
+ "parameters": row,
568
+ "metrics": metrics,
569
+ "initial_signed_stress_pa": float(
570
+ arrays["signed_equivalent_stress_pa"][0]
571
+ ),
572
+ "j2_analytical_relative_error": float(reference_error),
573
+ }
574
+ group = h5.create_group(f"{index:05d}")
575
+ group.attrs["case_id"] = case_id
576
+ group.attrs["split"] = split
577
+ group.attrs["material_model"] = row["material_model"]
578
+ group.attrs["path_family"] = row["path_family"]
579
+ group.attrs["parameters_json"] = json.dumps(row, sort_keys=True)
580
+ group.attrs["metrics_json"] = json.dumps(metrics, sort_keys=True)
581
+ for name, value in arrays.items():
582
+ group.create_dataset(name, data=value, compression="gzip", shuffle=True)
583
+ design_rows.append(
584
+ {
585
+ "id": f"{index:05d}",
586
+ "case_id": case_id,
587
+ "split": split,
588
+ "parameters": row,
589
+ }
590
+ )
591
+ records.append(record)
592
+ if row["replicate"] == 0:
593
+ stored[index] = arrays
594
+ os.replace(temporary, DATA_PATH)
595
+ _write_jsonl_atomic(DESIGN_PATH, design_rows)
596
+ _write_jsonl_atomic(INDEX_PATH, records)
597
+
598
+ refinements: list[dict[str, object]] = []
599
+ for index, row in enumerate(parameters):
600
+ if row["replicate"] != 0:
601
+ continue
602
+ coarse = stored[index]
603
+ fine, _ = solve_trajectory(row, points=241)
604
+ fine_stress = fine["signed_equivalent_stress_pa"][::2]
605
+ fine_peeq = fine["equivalent_plastic_strain"][::2]
606
+ stress_scale = max(float(np.max(np.abs(fine_stress))), 1.0)
607
+ peeq_scale = max(float(np.max(fine_peeq)), 1.0e-15)
608
+ refinements.append(
609
+ {
610
+ "index": index,
611
+ "material_model": row["material_model"],
612
+ "path_family": row["path_family"],
613
+ "maximum_stress_relative_change": float(
614
+ np.max(
615
+ np.abs(
616
+ coarse["signed_equivalent_stress_pa"] - fine_stress
617
+ )
618
+ )
619
+ / stress_scale
620
+ ),
621
+ "maximum_peeq_relative_change": float(
622
+ np.max(
623
+ np.abs(coarse["equivalent_plastic_strain"] - fine_peeq)
624
+ )
625
+ / peeq_scale
626
+ ),
627
+ }
628
+ )
629
+
630
+ failures = _quality_failures(parameters, records, refinements)
631
+ preview = _plot_preview(parameters, stored)
632
+ summary = {
633
+ "status": "accepted" if not failures else "rejected",
634
+ "sample_count": len(parameters),
635
+ "material_models": {
636
+ model: sum(row["material_model"] == model for row in parameters)
637
+ for model in MATERIAL_MODELS
638
+ },
639
+ "path_families": {
640
+ family: sum(row["path_family"] == family for row in parameters)
641
+ for family in PATH_FAMILIES
642
+ },
643
+ "splits": {
644
+ name: sum(value == name for value in splits.values())
645
+ for name in ("train", "validation", "test")
646
+ },
647
+ "all_case_ids_unique": len({case_identity(row) for row in parameters})
648
+ == len(parameters),
649
+ "quality_failure_count": len(failures),
650
+ "quality_failures": failures,
651
+ "maximum_yield_surface_relative_residual": float(
652
+ max(
653
+ record["metrics"]["maximum_yield_surface_relative_residual"]
654
+ for record in records
655
+ )
656
+ ),
657
+ "maximum_plastic_strain_trace": float(
658
+ max(
659
+ record["metrics"]["maximum_plastic_strain_trace"]
660
+ for record in records
661
+ )
662
+ ),
663
+ "maximum_j2_analytical_relative_error": float(
664
+ max(record["j2_analytical_relative_error"] for record in records)
665
+ ),
666
+ "minimum_symmetric_zero_strain_memory_contrast_pa": float(
667
+ min(
668
+ record["metrics"]["zero_strain_stress_range_pa"]
669
+ for record in records
670
+ if record["parameters"]["path_family"] == "symmetric_cyclic"
671
+ )
672
+ ),
673
+ "maximum_refined_stress_relative_change": float(
674
+ max(item["maximum_stress_relative_change"] for item in refinements)
675
+ ),
676
+ "maximum_refined_peeq_relative_change": float(
677
+ max(item["maximum_peeq_relative_change"] for item in refinements)
678
+ ),
679
+ "minimum_plastic_work_increment_j_m3": float(
680
+ min(
681
+ record["metrics"]["minimum_plastic_work_increment_j_m3"]
682
+ for record in records
683
+ )
684
+ ),
685
+ "wall_seconds": float(time.perf_counter() - started),
686
+ "data_file": str(DATA_PATH.relative_to(ROOT)),
687
+ "data_bytes": DATA_PATH.stat().st_size,
688
+ "data_sha256": _sha256(DATA_PATH),
689
+ "preview": str(preview.relative_to(ROOT)),
690
+ "agentfem_version": agentfem.__version__,
691
+ "agentfem_commit": AGENTFEM_COMMIT,
692
+ "refinement_audits": refinements,
693
+ }
694
+ _write_json_atomic(ARTIFACT_DIR / "quality.json", summary)
695
+ report = f"""# T2 material-loading-memory pilot quality report
696
+
697
+ Status: **{summary['status']}**
698
+ Independent trajectories: {summary['sample_count']}
699
+ Quality failures: {summary['quality_failure_count']}
700
+
701
+ ## Coverage
702
+
703
+ - J2 linear isotropic hardening: {summary['material_models']['j2_linear_isotropic']}
704
+ - Chaboche combined hardening: {summary['material_models']['chaboche_combined']}
705
+ - Six loading-path families: 16 trajectories each
706
+ - Train/validation/test trajectories: 72/12/12
707
+ - Points per trajectory: {config['points_per_trajectory']}
708
+
709
+ ## Verification
710
+
711
+ - Maximum yield-surface relative residual: {summary['maximum_yield_surface_relative_residual']:.3e}
712
+ - Maximum plastic-strain trace: {summary['maximum_plastic_strain_trace']:.3e}
713
+ - Maximum J2 monotonic analytical relative error: {summary['maximum_j2_analytical_relative_error']:.3e}
714
+ - Minimum repeated-zero-strain stress contrast in symmetric cycles: {summary['minimum_symmetric_zero_strain_memory_contrast_pa'] / 1.0e6:.3f} MPa
715
+ - Maximum 121-to-241-point stress change: {summary['maximum_refined_stress_relative_change']:.3%}
716
+ - Maximum 121-to-241-point PEEQ change: {summary['maximum_refined_peeq_relative_change']:.3%}
717
+ - Minimum raw `stress:plastic-strain-increment` diagnostic: {summary['minimum_plastic_work_increment_j_m3']:.3e} J/m^3
718
+ - All case IDs unique: {summary['all_case_ids_unique']}
719
+
720
+ The data are synthetic three-dimensional small-strain material-point histories under
721
+ prescribed proportional deviatoric strain. They are not structural FEM fields, an
722
+ experimental material calibration, or fatigue-life labels. Chaboche remains explicitly
723
+ labelled as an experimental AgentFEM capability. For Chaboche, raw stress work on plastic
724
+ strain is recorded but is not labelled as thermodynamic dissipation because the current
725
+ material-point contract does not expose a complete backstress storage/recovery energy split.
726
+
727
+ ![Hysteresis preview](hysteresis_preview.png)
728
+ """
729
+ (ARTIFACT_DIR / "QUALITY_REPORT.md").write_text(report, encoding="utf-8")
730
+ print(json.dumps(summary, indent=2, sort_keys=True))
731
+ if failures:
732
+ raise RuntimeError(f"T2 pilot failed {len(failures)} quality checks.")
733
+ return summary
734
+
735
+
736
+ def main() -> None:
737
+ parser = argparse.ArgumentParser(description=__doc__)
738
+ parser.add_argument(
739
+ "--generate", action="store_true", help="Generate and verify the full pilot."
740
+ )
741
+ parser.add_argument(
742
+ "--design-only", action="store_true", help="Write only the frozen design."
743
+ )
744
+ args = parser.parse_args()
745
+ parameters = design_parameters()
746
+ splits = split_assignments(parameters)
747
+ if args.design_only:
748
+ DATA_DIR.mkdir(parents=True, exist_ok=True)
749
+ _write_jsonl_atomic(
750
+ DESIGN_PATH,
751
+ [
752
+ {
753
+ "id": f"{index:05d}",
754
+ "case_id": case_identity(row),
755
+ "split": splits[index],
756
+ "parameters": row,
757
+ }
758
+ for index, row in enumerate(parameters)
759
+ ],
760
+ )
761
+ print(DESIGN_PATH)
762
+ return
763
+ if args.generate:
764
+ generate()
765
+ return
766
+ parser.error("Choose --generate or --design-only.")
767
+
768
+
769
+ if __name__ == "__main__":
770
+ main()
src/t2_material_loading_memory_v1.py ADDED
@@ -0,0 +1,743 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """Build the restartable T2 material-loading-memory v1 dataset.
2
+
3
+ One sample is one complete material-point trajectory. The 121 states within a
4
+ trajectory are never counted as independent samples. J2 linear isotropic
5
+ hardening and Chaboche combined hardening remain explicit model labels.
6
+ """
7
+
8
+ from __future__ import annotations
9
+
10
+ import argparse
11
+ import hashlib
12
+ import json
13
+ import os
14
+ import platform
15
+ import time
16
+ from pathlib import Path
17
+
18
+ import h5py
19
+ import matplotlib
20
+
21
+ matplotlib.use("Agg")
22
+ import matplotlib.pyplot as plt
23
+ import numpy as np
24
+ from scipy.stats import qmc
25
+
26
+ import agentfem
27
+ from agentfem import campaigns
28
+
29
+ try:
30
+ from src import t2_material_loading_memory as core
31
+ except ModuleNotFoundError: # Direct execution from the src directory.
32
+ import t2_material_loading_memory as core
33
+
34
+
35
+ ROOT = Path(__file__).resolve().parents[1]
36
+ CONFIG_PATH = ROOT / "configs" / "t2_material_loading_memory_v1.json"
37
+ DATA_DIR = ROOT / "data" / "t2_material_loading_memory_v1"
38
+ SAMPLE_DIR = DATA_DIR / "samples"
39
+ RECORD_DIR = DATA_DIR / "records"
40
+ SHARD_DIR = DATA_DIR / "shards"
41
+ ARTIFACT_DIR = ROOT / "artifacts" / "t2_material_loading_memory_v1"
42
+ DESIGN_PATH = DATA_DIR / "design.jsonl"
43
+ INDEX_PATH = DATA_DIR / "index.jsonl"
44
+ MANIFEST_PATH = DATA_DIR / "manifest.json"
45
+
46
+ AGENTFEM_COMMIT = "058faecc05aeda143d014fd229401003a9258bbb"
47
+ MATERIAL_MODELS = core.MATERIAL_MODELS
48
+ PATH_FAMILIES = core.PATH_FAMILIES
49
+ REQUIRED_ARRAYS = (
50
+ "time_coordinate",
51
+ "path_anchors",
52
+ "signed_equivalent_strain",
53
+ "total_strain",
54
+ "stress_pa",
55
+ "signed_equivalent_stress_pa",
56
+ "mises_stress_pa",
57
+ "plastic_strain",
58
+ "equivalent_plastic_strain",
59
+ "plastic_multiplier_increment",
60
+ "elastic_step",
61
+ "trial_yield_function_pa",
62
+ "yield_radius_pa",
63
+ "shifted_mises_stress_pa",
64
+ "backstress_pa",
65
+ "backstress_components_pa",
66
+ "plastic_work_increment_j_m3",
67
+ "cumulative_plastic_work_j_m3",
68
+ "external_work_increment_j_m3",
69
+ "cumulative_external_work_j_m3",
70
+ )
71
+
72
+
73
+ def load_config() -> dict[str, object]:
74
+ return json.loads(CONFIG_PATH.read_text(encoding="utf-8"))
75
+
76
+
77
+ def _scale(value: float, bounds: list[float]) -> float:
78
+ return float(bounds[0] + value * (bounds[1] - bounds[0]))
79
+
80
+
81
+ def design_parameters(seed: int | None = None) -> tuple[dict[str, object], ...]:
82
+ """Return a deterministic balanced 1,008-trajectory Sobol design."""
83
+
84
+ config = load_config()
85
+ actual_seed = int(config["seed"] if seed is None else seed)
86
+ ranges = config["ranges"]
87
+ per_stratum = int(config["samples_per_stratum"])
88
+ required = len(MATERIAL_MODELS) * len(PATH_FAMILIES) * per_stratum
89
+ exponent = int(np.ceil(np.log2(required)))
90
+ unit = qmc.Sobol(12, scramble=True, seed=actual_seed).random_base2(exponent)
91
+ rows: list[dict[str, object]] = []
92
+ cursor = 0
93
+ for material_model in MATERIAL_MODELS:
94
+ for path_family in PATH_FAMILIES:
95
+ for replicate in range(per_stratum):
96
+ u = unit[cursor]
97
+ cursor += 1
98
+ row: dict[str, object] = {
99
+ "material_model": material_model,
100
+ "path_family": path_family,
101
+ "replicate": replicate,
102
+ "young_pa": _scale(u[0], ranges["young_pa"]),
103
+ "poisson": _scale(u[1], ranges["poisson"]),
104
+ "yield_stress_pa": _scale(u[2], ranges["yield_stress_pa"]),
105
+ "maximum_equivalent_strain": _scale(
106
+ u[3], ranges["maximum_equivalent_strain"]
107
+ ),
108
+ "path_shape_a": float(u[10]),
109
+ "path_shape_b": float(u[11]),
110
+ }
111
+ if material_model == "j2_linear_isotropic":
112
+ row.update(
113
+ {
114
+ "hardening_modulus_pa": _scale(
115
+ u[4], ranges["j2_hardening_modulus_pa"]
116
+ ),
117
+ "backstress_c1_pa": 0.0,
118
+ "backstress_gamma1": 0.0,
119
+ "backstress_c2_pa": 0.0,
120
+ "backstress_gamma2": 0.0,
121
+ "isotropic_saturation_pa": 0.0,
122
+ "isotropic_rate": 0.0,
123
+ }
124
+ )
125
+ else:
126
+ row.update(
127
+ {
128
+ "hardening_modulus_pa": 0.0,
129
+ "backstress_c1_pa": _scale(
130
+ u[4], ranges["chaboche_c1_pa"]
131
+ ),
132
+ "backstress_gamma1": _scale(
133
+ u[5], ranges["chaboche_gamma1"]
134
+ ),
135
+ "backstress_c2_pa": _scale(
136
+ u[6], ranges["chaboche_c2_pa"]
137
+ ),
138
+ "backstress_gamma2": _scale(
139
+ u[7], ranges["chaboche_gamma2"]
140
+ ),
141
+ "isotropic_saturation_pa": _scale(
142
+ u[8], ranges["chaboche_isotropic_saturation_pa"]
143
+ ),
144
+ "isotropic_rate": _scale(
145
+ u[9], ranges["chaboche_isotropic_rate"]
146
+ ),
147
+ }
148
+ )
149
+ rows.append(row)
150
+ if len(rows) != int(config["sample_count"]):
151
+ raise RuntimeError("T2 v1 design size differs from the frozen configuration.")
152
+ return tuple(rows)
153
+
154
+
155
+ def case_identity(parameters: dict[str, object]) -> str:
156
+ return campaigns.case_id("t2_material_loading_memory_v1", parameters)
157
+
158
+
159
+ def split_assignments(parameters: tuple[dict[str, object], ...]) -> dict[int, str]:
160
+ """Create 64/10/10 train/validation/test splits in every stratum."""
161
+
162
+ seed = int(load_config()["seed"])
163
+ result: dict[int, str] = {}
164
+ for model_index, material_model in enumerate(MATERIAL_MODELS):
165
+ for path_index, path_family in enumerate(PATH_FAMILIES):
166
+ members = np.asarray(
167
+ [
168
+ index
169
+ for index, row in enumerate(parameters)
170
+ if row["material_model"] == material_model
171
+ and row["path_family"] == path_family
172
+ ],
173
+ dtype=int,
174
+ )
175
+ rng = np.random.default_rng(seed + 100 * model_index + path_index)
176
+ members = rng.permutation(members)
177
+ for index in members[:64]:
178
+ result[int(index)] = "train"
179
+ for index in members[64:74]:
180
+ result[int(index)] = "validation"
181
+ for index in members[74:84]:
182
+ result[int(index)] = "test"
183
+ return result
184
+
185
+
186
+ def _sha256(path: Path) -> str:
187
+ digest = hashlib.sha256()
188
+ with path.open("rb") as stream:
189
+ for block in iter(lambda: stream.read(1024 * 1024), b""):
190
+ digest.update(block)
191
+ return digest.hexdigest()
192
+
193
+
194
+ def _write_json_atomic(path: Path, value: object) -> None:
195
+ path.parent.mkdir(parents=True, exist_ok=True)
196
+ temporary = path.with_suffix(path.suffix + ".tmp")
197
+ temporary.write_text(
198
+ json.dumps(value, indent=2, sort_keys=True) + "\n", encoding="utf-8"
199
+ )
200
+ os.replace(temporary, path)
201
+
202
+
203
+ def _write_jsonl_atomic(path: Path, rows: list[dict[str, object]]) -> None:
204
+ path.parent.mkdir(parents=True, exist_ok=True)
205
+ temporary = path.with_suffix(path.suffix + ".tmp")
206
+ with temporary.open("w", encoding="utf-8") as stream:
207
+ for row in rows:
208
+ stream.write(json.dumps(row, sort_keys=True) + "\n")
209
+ os.replace(temporary, path)
210
+
211
+
212
+ def _write_npz_atomic(path: Path, arrays: dict[str, np.ndarray]) -> None:
213
+ path.parent.mkdir(parents=True, exist_ok=True)
214
+ temporary = path.with_suffix(path.suffix + ".tmp")
215
+ with temporary.open("wb") as stream:
216
+ np.savez_compressed(stream, **arrays)
217
+ os.replace(temporary, path)
218
+
219
+
220
+ def sample_paths(index: int) -> tuple[Path, Path]:
221
+ return SAMPLE_DIR / f"{index:05d}.npz", RECORD_DIR / f"{index:05d}.json"
222
+
223
+
224
+ def write_design() -> Path:
225
+ parameters = design_parameters()
226
+ splits = split_assignments(parameters)
227
+ rows = [
228
+ {
229
+ "id": f"{index:05d}",
230
+ "case_id": case_identity(row),
231
+ "split": splits[index],
232
+ "parameters": row,
233
+ }
234
+ for index, row in enumerate(parameters)
235
+ ]
236
+ _write_jsonl_atomic(DESIGN_PATH, rows)
237
+ return DESIGN_PATH
238
+
239
+
240
+ def _sample_complete(index: int, expected_case_id: str) -> bool:
241
+ sample_path, record_path = sample_paths(index)
242
+ if not sample_path.exists() or not record_path.exists():
243
+ return False
244
+ try:
245
+ record = json.loads(record_path.read_text(encoding="utf-8"))
246
+ if record["case_id"] != expected_case_id:
247
+ return False
248
+ with np.load(sample_path) as arrays:
249
+ if set(REQUIRED_ARRAYS) - set(arrays.files):
250
+ return False
251
+ return all(np.isfinite(arrays[name]).all() for name in REQUIRED_ARRAYS)
252
+ except (OSError, ValueError, KeyError, json.JSONDecodeError):
253
+ return False
254
+
255
+
256
+ def _solve_record(
257
+ index: int, parameters: dict[str, object], split: str
258
+ ) -> tuple[dict[str, np.ndarray], dict[str, object]]:
259
+ points = int(load_config()["points_per_trajectory"])
260
+ arrays, metrics = core.solve_trajectory(parameters, points=points)
261
+ reference_error = 0.0
262
+ if (
263
+ parameters["material_model"] == "j2_linear_isotropic"
264
+ and parameters["path_family"] == "monotonic_tension"
265
+ ):
266
+ reference_stress, reference_peeq = core._j2_monotonic_reference(parameters)
267
+ reference_error = max(
268
+ abs(arrays["signed_equivalent_stress_pa"][-1] - reference_stress)
269
+ / max(reference_stress, 1.0),
270
+ abs(arrays["equivalent_plastic_strain"][-1] - reference_peeq)
271
+ / max(reference_peeq, 1.0e-15),
272
+ )
273
+ record: dict[str, object] = {
274
+ "id": f"{index:05d}",
275
+ "case_id": case_identity(parameters),
276
+ "split": split,
277
+ "parameters": parameters,
278
+ "metrics": metrics,
279
+ "initial_signed_stress_pa": float(arrays["signed_equivalent_stress_pa"][0]),
280
+ "j2_analytical_relative_error": float(reference_error),
281
+ }
282
+ return arrays, record
283
+
284
+
285
+ def generate_range(start: int, stop: int, *, force: bool = False) -> dict[str, object]:
286
+ parameters = design_parameters()
287
+ splits = split_assignments(parameters)
288
+ if start < 0 or stop > len(parameters) or start >= stop:
289
+ raise ValueError(f"Invalid range [{start}, {stop}) for {len(parameters)} samples.")
290
+ if not DESIGN_PATH.exists():
291
+ write_design()
292
+ started = time.perf_counter()
293
+ generated = 0
294
+ reused = 0
295
+ failures: list[dict[str, object]] = []
296
+ for index in range(start, stop):
297
+ row = parameters[index]
298
+ case_id = case_identity(row)
299
+ if not force and _sample_complete(index, case_id):
300
+ reused += 1
301
+ continue
302
+ sample_path, record_path = sample_paths(index)
303
+ try:
304
+ arrays, record = _solve_record(index, row, splits[index])
305
+ _write_npz_atomic(sample_path, arrays)
306
+ _write_json_atomic(record_path, record)
307
+ generated += 1
308
+ except Exception as exc: # Preserve failed identities instead of hiding them.
309
+ failures.append(
310
+ {
311
+ "id": f"{index:05d}",
312
+ "case_id": case_id,
313
+ "error_type": type(exc).__name__,
314
+ "error": str(exc),
315
+ }
316
+ )
317
+ summary = {
318
+ "start": start,
319
+ "stop": stop,
320
+ "generated": generated,
321
+ "reused": reused,
322
+ "failures": failures,
323
+ "wall_seconds": float(time.perf_counter() - started),
324
+ }
325
+ _write_json_atomic(ARTIFACT_DIR / f"range_{start:05d}_{stop:05d}.json", summary)
326
+ print(json.dumps(summary, indent=2, sort_keys=True))
327
+ if failures:
328
+ raise RuntimeError(f"Range [{start}, {stop}) had {len(failures)} failures.")
329
+ return summary
330
+
331
+
332
+ def _load_records() -> list[dict[str, object]]:
333
+ count = int(load_config()["sample_count"])
334
+ records: list[dict[str, object]] = []
335
+ missing: list[int] = []
336
+ for index in range(count):
337
+ _, record_path = sample_paths(index)
338
+ if not record_path.exists():
339
+ missing.append(index)
340
+ continue
341
+ records.append(json.loads(record_path.read_text(encoding="utf-8")))
342
+ if missing:
343
+ raise RuntimeError(f"Missing {len(missing)} records; first IDs: {missing[:8]}")
344
+ return records
345
+
346
+
347
+ def package_shards() -> dict[str, object]:
348
+ config = load_config()
349
+ parameters = design_parameters()
350
+ records = _load_records()
351
+ SHARD_DIR.mkdir(parents=True, exist_ok=True)
352
+ index_rows: list[dict[str, object]] = []
353
+ shard_rows: list[dict[str, object]] = []
354
+ for shard_index, members in enumerate(
355
+ np.array_split(np.arange(len(parameters), dtype=int), int(config["shard_count"]))
356
+ ):
357
+ output = SHARD_DIR / f"part-{shard_index:05d}.h5"
358
+ temporary = output.with_suffix(".h5.tmp")
359
+ with h5py.File(temporary, "w") as h5:
360
+ h5.attrs["schema"] = config["schema"]
361
+ h5.attrs["schema_version"] = config["schema_version"]
362
+ h5.attrs["dataset_version"] = config["dataset_version"]
363
+ h5.attrs["agentfem_version"] = agentfem.__version__
364
+ h5.attrs["agentfem_commit"] = AGENTFEM_COMMIT
365
+ h5.attrs["numpy_version"] = np.__version__
366
+ h5.attrs["python_version"] = platform.python_version()
367
+ for index in members:
368
+ record = records[int(index)]
369
+ sample_path, _ = sample_paths(int(index))
370
+ if not _sample_complete(int(index), str(record["case_id"])):
371
+ raise RuntimeError(f"Incomplete sample: {int(index):05d}")
372
+ group = h5.create_group(f"{int(index):05d}")
373
+ group.attrs["case_id"] = record["case_id"]
374
+ group.attrs["split"] = record["split"]
375
+ group.attrs["material_model"] = record["parameters"]["material_model"]
376
+ group.attrs["path_family"] = record["parameters"]["path_family"]
377
+ group.attrs["parameters_json"] = json.dumps(
378
+ record["parameters"], sort_keys=True
379
+ )
380
+ group.attrs["metrics_json"] = json.dumps(record["metrics"], sort_keys=True)
381
+ with np.load(sample_path) as arrays:
382
+ for name in REQUIRED_ARRAYS:
383
+ group.create_dataset(
384
+ name, data=arrays[name], compression="gzip", shuffle=True
385
+ )
386
+ index_rows.append(
387
+ {
388
+ **record,
389
+ "shard": str(output.relative_to(ROOT)),
390
+ }
391
+ )
392
+ os.replace(temporary, output)
393
+ shard_rows.append(
394
+ {
395
+ "path": str(output.relative_to(ROOT)),
396
+ "first_id": f"{int(members[0]):05d}",
397
+ "last_id": f"{int(members[-1]):05d}",
398
+ "sample_count": int(len(members)),
399
+ "bytes": output.stat().st_size,
400
+ "sha256": _sha256(output),
401
+ }
402
+ )
403
+ index_rows.sort(key=lambda row: str(row["id"]))
404
+ _write_jsonl_atomic(INDEX_PATH, index_rows)
405
+ manifest = {
406
+ "schema": config["schema"],
407
+ "schema_version": config["schema_version"],
408
+ "dataset_version": config["dataset_version"],
409
+ "sample_count": len(parameters),
410
+ "points_per_trajectory": config["points_per_trajectory"],
411
+ "agentfem_version": agentfem.__version__,
412
+ "agentfem_commit": AGENTFEM_COMMIT,
413
+ "shards": shard_rows,
414
+ }
415
+ _write_json_atomic(MANIFEST_PATH, manifest)
416
+ print(json.dumps(manifest, indent=2, sort_keys=True))
417
+ return manifest
418
+
419
+
420
+ def _quality_failures(
421
+ parameters: tuple[dict[str, object], ...],
422
+ records: list[dict[str, object]],
423
+ refinements: list[dict[str, object]],
424
+ ) -> list[dict[str, object]]:
425
+ thresholds = load_config()["quality_thresholds"]
426
+ failures: list[dict[str, object]] = []
427
+ for index, (row, record) in enumerate(zip(parameters, records, strict=True)):
428
+ metrics = record["metrics"]
429
+ checks = {
430
+ "all_finite": bool(metrics["all_finite"]),
431
+ "initial_stress": abs(float(record["initial_signed_stress_pa"]))
432
+ <= thresholds["initial_stress_pa"],
433
+ "plastic_incompressibility": metrics["maximum_plastic_strain_trace"]
434
+ <= thresholds["plastic_strain_trace"],
435
+ "peeq_monotone": metrics["minimum_peeq_increment"]
436
+ >= -thresholds["equivalent_plastic_strain_decrease"],
437
+ "yield_surface": metrics["maximum_yield_surface_relative_residual"]
438
+ <= thresholds["yield_surface_relative_residual"],
439
+ "positive_total_plastic_work": metrics[
440
+ "final_cumulative_plastic_work_j_m3"
441
+ ]
442
+ > thresholds["final_plastic_work_minimum_j_m3"],
443
+ "plastic_excitation": metrics["plastic_step_count"] > 0,
444
+ }
445
+ if row["material_model"] == "j2_linear_isotropic":
446
+ checks["j2_nonnegative_plastic_work_increment"] = metrics[
447
+ "minimum_plastic_work_increment_j_m3"
448
+ ] >= -thresholds["j2_plastic_work_negative_tolerance_j_m3"]
449
+ if (
450
+ row["material_model"] == "j2_linear_isotropic"
451
+ and row["path_family"] == "monotonic_tension"
452
+ ):
453
+ checks["j2_analytical"] = record[
454
+ "j2_analytical_relative_error"
455
+ ] <= thresholds["j2_monotonic_analytical_relative_error"]
456
+ if row["path_family"] == "symmetric_cyclic":
457
+ checks["history_memory_contrast"] = metrics[
458
+ "zero_strain_stress_range_pa"
459
+ ] >= thresholds["zero_strain_memory_contrast_pa"]
460
+ failed = sorted(name for name, passed in checks.items() if not passed)
461
+ if failed:
462
+ failures.append({"index": index, "failed_checks": failed})
463
+ for item in refinements:
464
+ failed = []
465
+ if item["maximum_stress_relative_change"] > thresholds[
466
+ "refined_stress_relative_change"
467
+ ]:
468
+ failed.append("refined_stress")
469
+ if item["maximum_peeq_relative_change"] > thresholds[
470
+ "refined_peeq_relative_change"
471
+ ]:
472
+ failed.append("refined_peeq")
473
+ if failed:
474
+ failures.append({"index": item["index"], "failed_checks": failed})
475
+ return failures
476
+
477
+
478
+ def _refinement_audits(
479
+ parameters: tuple[dict[str, object], ...]
480
+ ) -> list[dict[str, object]]:
481
+ selected = [
482
+ index
483
+ for index, row in enumerate(parameters)
484
+ if int(row["replicate"]) in (0, int(load_config()["samples_per_stratum"]) - 1)
485
+ ]
486
+ refinements: list[dict[str, object]] = []
487
+ for index in selected:
488
+ row = parameters[index]
489
+ sample_path, _ = sample_paths(index)
490
+ with np.load(sample_path) as coarse:
491
+ coarse_stress = np.asarray(coarse["signed_equivalent_stress_pa"])
492
+ coarse_peeq = np.asarray(coarse["equivalent_plastic_strain"])
493
+ fine, _ = core.solve_trajectory(row, points=241)
494
+ fine_stress = fine["signed_equivalent_stress_pa"][::2]
495
+ fine_peeq = fine["equivalent_plastic_strain"][::2]
496
+ stress_scale = max(float(np.max(np.abs(fine_stress))), 1.0)
497
+ peeq_scale = max(float(np.max(fine_peeq)), 1.0e-15)
498
+ refinements.append(
499
+ {
500
+ "index": index,
501
+ "material_model": row["material_model"],
502
+ "path_family": row["path_family"],
503
+ "maximum_stress_relative_change": float(
504
+ np.max(np.abs(coarse_stress - fine_stress)) / stress_scale
505
+ ),
506
+ "maximum_peeq_relative_change": float(
507
+ np.max(np.abs(coarse_peeq - fine_peeq)) / peeq_scale
508
+ ),
509
+ }
510
+ )
511
+ return refinements
512
+
513
+
514
+ def _create_preview(parameters: tuple[dict[str, object], ...]) -> Path:
515
+ ARTIFACT_DIR.mkdir(parents=True, exist_ok=True)
516
+ fig, axes = plt.subplots(2, 3, figsize=(12.0, 7.2), constrained_layout=True)
517
+ colors = {"j2_linear_isotropic": "#2563eb", "chaboche_combined": "#dc2626"}
518
+ labels = {"j2_linear_isotropic": "J2 isotropic", "chaboche_combined": "Chaboche"}
519
+ for axis, family in zip(axes.flat, PATH_FAMILIES, strict=True):
520
+ for model in MATERIAL_MODELS:
521
+ index = next(
522
+ idx
523
+ for idx, row in enumerate(parameters)
524
+ if row["material_model"] == model
525
+ and row["path_family"] == family
526
+ and row["replicate"] == 0
527
+ )
528
+ sample_path, _ = sample_paths(index)
529
+ with np.load(sample_path) as arrays:
530
+ strain = np.asarray(arrays["signed_equivalent_strain"])
531
+ stress = np.asarray(arrays["signed_equivalent_stress_pa"])
532
+ axis.plot(100.0 * strain, stress / 1.0e6, color=colors[model], lw=1.8, label=labels[model])
533
+ axis.axhline(0.0, color="#9ca3af", lw=0.6)
534
+ axis.axvline(0.0, color="#9ca3af", lw=0.6)
535
+ axis.set_title(family.replace("_", " ").title(), fontsize=10)
536
+ axis.set_xlabel("Signed equivalent strain (%)")
537
+ axis.set_ylabel("Signed equivalent stress (MPa)")
538
+ axis.grid(alpha=0.22)
539
+ axes.flat[0].legend(frameon=False, fontsize=9)
540
+ fig.suptitle(
541
+ "AgentFEM T2 v1: path-dependent material memory\n"
542
+ "Representative independent cases; J2 and Chaboche parameters are not matched.",
543
+ fontsize=13,
544
+ )
545
+ output = ARTIFACT_DIR / "hysteresis_preview.png"
546
+ fig.savefig(output, dpi=180)
547
+ plt.close(fig)
548
+ return output
549
+
550
+
551
+ def audit_dataset() -> dict[str, object]:
552
+ config = load_config()
553
+ parameters = design_parameters()
554
+ splits = split_assignments(parameters)
555
+ records = _load_records()
556
+ manifest = json.loads(MANIFEST_PATH.read_text(encoding="utf-8"))
557
+ integrity_failures: list[dict[str, object]] = []
558
+ observed_ids: list[str] = []
559
+ for shard in manifest["shards"]:
560
+ path = ROOT / shard["path"]
561
+ if _sha256(path) != shard["sha256"]:
562
+ integrity_failures.append({"shard": shard["path"], "error": "sha256"})
563
+ continue
564
+ with h5py.File(path, "r") as h5:
565
+ observed_ids.extend(sorted(h5.keys()))
566
+ for sample_id, group in h5.items():
567
+ missing = sorted(set(REQUIRED_ARRAYS) - set(group.keys()))
568
+ nonfinite = [
569
+ name for name in REQUIRED_ARRAYS if name in group and not np.isfinite(group[name][:]).all()
570
+ ]
571
+ if missing or nonfinite:
572
+ integrity_failures.append(
573
+ {"id": sample_id, "missing": missing, "nonfinite": nonfinite}
574
+ )
575
+ expected_ids = [f"{index:05d}" for index in range(len(parameters))]
576
+ if observed_ids != expected_ids:
577
+ integrity_failures.append({"error": "sample_id_coverage"})
578
+ refinements = _refinement_audits(parameters)
579
+ failures = _quality_failures(parameters, records, refinements)
580
+ failures.extend(integrity_failures)
581
+ preview = _create_preview(parameters)
582
+ summary = {
583
+ "status": "accepted" if not failures else "rejected",
584
+ "sample_count": len(parameters),
585
+ "points_per_trajectory": config["points_per_trajectory"],
586
+ "material_models": {
587
+ model: sum(row["material_model"] == model for row in parameters)
588
+ for model in MATERIAL_MODELS
589
+ },
590
+ "path_families": {
591
+ family: sum(row["path_family"] == family for row in parameters)
592
+ for family in PATH_FAMILIES
593
+ },
594
+ "splits": {
595
+ name: sum(value == name for value in splits.values())
596
+ for name in ("train", "validation", "test")
597
+ },
598
+ "all_case_ids_unique": len({case_identity(row) for row in parameters}) == len(parameters),
599
+ "quality_failure_count": len(failures),
600
+ "quality_failures": failures,
601
+ "maximum_yield_surface_relative_residual": float(
602
+ max(record["metrics"]["maximum_yield_surface_relative_residual"] for record in records)
603
+ ),
604
+ "maximum_plastic_strain_trace": float(
605
+ max(record["metrics"]["maximum_plastic_strain_trace"] for record in records)
606
+ ),
607
+ "maximum_j2_analytical_relative_error": float(
608
+ max(record["j2_analytical_relative_error"] for record in records)
609
+ ),
610
+ "minimum_symmetric_zero_strain_memory_contrast_pa": float(
611
+ min(
612
+ record["metrics"]["zero_strain_stress_range_pa"]
613
+ for record in records
614
+ if record["parameters"]["path_family"] == "symmetric_cyclic"
615
+ )
616
+ ),
617
+ "maximum_refined_stress_relative_change": float(
618
+ max(item["maximum_stress_relative_change"] for item in refinements)
619
+ ),
620
+ "maximum_refined_peeq_relative_change": float(
621
+ max(item["maximum_peeq_relative_change"] for item in refinements)
622
+ ),
623
+ "minimum_plastic_work_increment_j_m3": float(
624
+ min(record["metrics"]["minimum_plastic_work_increment_j_m3"] for record in records)
625
+ ),
626
+ "data_bytes": int(sum(int(shard["bytes"]) for shard in manifest["shards"])),
627
+ "preview": str(preview.relative_to(ROOT)),
628
+ "agentfem_version": agentfem.__version__,
629
+ "agentfem_commit": AGENTFEM_COMMIT,
630
+ "refinement_audits": refinements,
631
+ }
632
+ _write_json_atomic(ARTIFACT_DIR / "quality.json", summary)
633
+ report = f"""# T2 material-loading-memory v1 quality report
634
+
635
+ Status: **{summary['status']}**
636
+ Independent trajectories: {summary['sample_count']}
637
+ Quality failures: {summary['quality_failure_count']}
638
+
639
+ ## Coverage
640
+
641
+ - J2 linear isotropic hardening: {summary['material_models']['j2_linear_isotropic']}
642
+ - Chaboche combined hardening: {summary['material_models']['chaboche_combined']}
643
+ - Six loading-path families: 168 trajectories each
644
+ - Train/validation/test trajectories: 768/120/120
645
+ - Points per trajectory: {config['points_per_trajectory']}
646
+ - Packaged HDF5 shards: {len(manifest['shards'])}
647
+
648
+ ## Verification
649
+
650
+ - Maximum yield-surface relative residual: {summary['maximum_yield_surface_relative_residual']:.3e}
651
+ - Maximum plastic-strain trace: {summary['maximum_plastic_strain_trace']:.3e}
652
+ - Maximum J2 monotonic analytical relative error: {summary['maximum_j2_analytical_relative_error']:.3e}
653
+ - Minimum repeated-zero-strain stress contrast in symmetric cycles: {summary['minimum_symmetric_zero_strain_memory_contrast_pa'] / 1.0e6:.3f} MPa
654
+ - Maximum 121-to-241-point stress change across 24 audits: {summary['maximum_refined_stress_relative_change']:.3%}
655
+ - Maximum 121-to-241-point PEEQ change across 24 audits: {summary['maximum_refined_peeq_relative_change']:.3%}
656
+ - Minimum raw `stress:plastic-strain-increment` diagnostic: {summary['minimum_plastic_work_increment_j_m3']:.3e} J/m^3
657
+ - All case IDs unique: {summary['all_case_ids_unique']}
658
+
659
+ The data are synthetic three-dimensional small-strain material-point histories under
660
+ prescribed proportional deviatoric strain. They are not structural FEM fields, an
661
+ experimental material calibration, or fatigue-life labels. Chaboche remains explicitly
662
+ labelled as an experimental AgentFEM capability. For Chaboche, raw stress work on plastic
663
+ strain is recorded but is not labelled as thermodynamic dissipation because the current
664
+ material-point contract does not expose a complete backstress storage/recovery energy split.
665
+
666
+ ![Hysteresis preview](hysteresis_preview.png)
667
+ """
668
+ (ARTIFACT_DIR / "QUALITY_REPORT.md").write_text(report, encoding="utf-8")
669
+ print(json.dumps(summary, indent=2, sort_keys=True))
670
+ if failures:
671
+ raise RuntimeError(f"T2 v1 failed {len(failures)} quality checks.")
672
+ return summary
673
+
674
+
675
+ def validate_design() -> dict[str, object]:
676
+ parameters = design_parameters()
677
+ splits = split_assignments(parameters)
678
+ config = load_config()
679
+ result = {
680
+ "sample_count": len(parameters),
681
+ "unique_case_ids": len({case_identity(row) for row in parameters}),
682
+ "splits": {
683
+ name: sum(value == name for value in splits.values())
684
+ for name in ("train", "validation", "test")
685
+ },
686
+ "strata": {
687
+ f"{model}/{family}": sum(
688
+ row["material_model"] == model and row["path_family"] == family
689
+ for row in parameters
690
+ )
691
+ for model in MATERIAL_MODELS
692
+ for family in PATH_FAMILIES
693
+ },
694
+ "expected": {
695
+ "sample_count": config["sample_count"],
696
+ "splits": config["splits"],
697
+ },
698
+ }
699
+ if result["sample_count"] != config["sample_count"]:
700
+ raise RuntimeError("Unexpected design size.")
701
+ if result["unique_case_ids"] != result["sample_count"]:
702
+ raise RuntimeError("Duplicate case IDs.")
703
+ if result["splits"] != config["splits"]:
704
+ raise RuntimeError("Unexpected split counts.")
705
+ print(json.dumps(result, indent=2, sort_keys=True))
706
+ return result
707
+
708
+
709
+ def main() -> None:
710
+ parser = argparse.ArgumentParser(description=__doc__)
711
+ parser.add_argument("--design-only", action="store_true")
712
+ parser.add_argument("--validate-design", action="store_true")
713
+ parser.add_argument("--range", nargs=2, type=int, metavar=("START", "STOP"))
714
+ parser.add_argument("--force", action="store_true")
715
+ parser.add_argument("--package", action="store_true")
716
+ parser.add_argument("--audit", action="store_true")
717
+ parser.add_argument("--all", action="store_true")
718
+ args = parser.parse_args()
719
+ if args.design_only:
720
+ print(write_design())
721
+ return
722
+ if args.validate_design:
723
+ validate_design()
724
+ return
725
+ if args.range:
726
+ generate_range(args.range[0], args.range[1], force=args.force)
727
+ return
728
+ if args.package:
729
+ package_shards()
730
+ return
731
+ if args.audit:
732
+ audit_dataset()
733
+ return
734
+ if args.all:
735
+ generate_range(0, int(load_config()["sample_count"]), force=args.force)
736
+ package_shards()
737
+ audit_dataset()
738
+ return
739
+ parser.error("Choose --design-only, --validate-design, --range, --package, --audit or --all.")
740
+
741
+
742
+ if __name__ == "__main__":
743
+ main()
tests/test_t2_material_loading_memory.py ADDED
@@ -0,0 +1,112 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ import json
2
+ from pathlib import Path
3
+
4
+ import h5py
5
+ import numpy as np
6
+
7
+ from src.t2_material_loading_memory import (
8
+ DATA_PATH,
9
+ MATERIAL_MODELS,
10
+ PATH_FAMILIES,
11
+ _j2_monotonic_reference,
12
+ case_identity,
13
+ design_parameters,
14
+ prescribed_history,
15
+ solve_trajectory,
16
+ split_assignments,
17
+ )
18
+
19
+
20
+ def test_t2_design_is_unique_balanced_and_split_by_trajectory():
21
+ rows = design_parameters()
22
+ split = split_assignments(rows)
23
+ assert len(rows) == 96
24
+ assert len({case_identity(row) for row in rows}) == 96
25
+ assert sum(value == "train" for value in split.values()) == 72
26
+ assert sum(value == "validation" for value in split.values()) == 12
27
+ assert sum(value == "test" for value in split.values()) == 12
28
+ for model in MATERIAL_MODELS:
29
+ assert sum(row["material_model"] == model for row in rows) == 48
30
+ for family in PATH_FAMILIES:
31
+ indices = [
32
+ index
33
+ for index, row in enumerate(rows)
34
+ if row["material_model"] == model
35
+ and row["path_family"] == family
36
+ ]
37
+ assert len(indices) == 8
38
+ assert sum(split[index] == "train" for index in indices) == 6
39
+ assert sum(split[index] == "validation" for index in indices) == 1
40
+ assert sum(split[index] == "test" for index in indices) == 1
41
+
42
+
43
+ def test_t2_prescribed_histories_have_fixed_size_and_required_reversals():
44
+ for row in design_parameters():
45
+ time, strain, anchors = prescribed_history(row)
46
+ assert len(time) == len(strain) == 121
47
+ assert np.all(np.diff(time) > 0.0)
48
+ assert strain[0] == 0.0
49
+ assert np.max(np.abs(strain)) <= 1.15 * row["maximum_equivalent_strain"]
50
+ for anchor in anchors:
51
+ assert np.any(np.isclose(strain, anchor, rtol=0.0, atol=1.0e-15))
52
+ if row["path_family"] not in ("monotonic_tension", "unload_reload"):
53
+ assert np.min(anchors) < 0.0 < np.max(anchors)
54
+
55
+
56
+ def test_t2_refined_paths_are_nested_at_every_coarse_state():
57
+ for row in design_parameters():
58
+ _, coarse, _ = prescribed_history(row, points=121)
59
+ _, fine, _ = prescribed_history(row, points=241)
60
+ np.testing.assert_allclose(coarse, fine[::2], rtol=0.0, atol=1.0e-15)
61
+
62
+
63
+ def test_t2_agentfem_material_point_smoke_paths_are_physical():
64
+ rows = design_parameters()
65
+ for model in MATERIAL_MODELS:
66
+ for family in PATH_FAMILIES:
67
+ row = next(
68
+ item
69
+ for item in rows
70
+ if item["material_model"] == model
71
+ and item["path_family"] == family
72
+ )
73
+ arrays, metrics = solve_trajectory(row, points=41)
74
+ assert metrics["all_finite"]
75
+ assert metrics["plastic_step_count"] > 0
76
+ assert metrics["maximum_plastic_strain_trace"] < 1.0e-10
77
+ assert metrics["minimum_peeq_increment"] >= -1.0e-12
78
+ assert metrics["maximum_yield_surface_relative_residual"] < 1.0e-8
79
+ assert arrays["signed_equivalent_stress_pa"][0] == 0.0
80
+ if family == "symmetric_cyclic":
81
+ assert metrics["zero_strain_stress_range_pa"] > 1.0e6
82
+
83
+
84
+ def test_t2_j2_monotonic_path_matches_closed_form():
85
+ row = next(
86
+ item
87
+ for item in design_parameters()
88
+ if item["material_model"] == "j2_linear_isotropic"
89
+ and item["path_family"] == "monotonic_tension"
90
+ )
91
+ arrays, _ = solve_trajectory(row, points=41)
92
+ stress, peeq = _j2_monotonic_reference(row)
93
+ np.testing.assert_allclose(
94
+ arrays["signed_equivalent_stress_pa"][-1], stress, rtol=1.0e-11
95
+ )
96
+ np.testing.assert_allclose(
97
+ arrays["equivalent_plastic_strain"][-1], peeq, rtol=1.0e-11
98
+ )
99
+
100
+
101
+ def test_t2_packaged_pilot_is_readable_when_present():
102
+ if not DATA_PATH.exists():
103
+ return
104
+ quality_path = DATA_PATH.parents[2] / "artifacts" / DATA_PATH.parent.name / "quality.json"
105
+ quality = json.loads(quality_path.read_text(encoding="utf-8"))
106
+ assert quality["status"] == "accepted"
107
+ with h5py.File(DATA_PATH, "r") as h5:
108
+ assert len(h5) == 96
109
+ for group in h5.values():
110
+ assert group["stress_pa"].shape == (121, 3, 3)
111
+ assert np.isfinite(group["stress_pa"][:]).all()
112
+ assert np.isfinite(group["equivalent_plastic_strain"][:]).all()
tests/test_t2_material_loading_memory_v1.py ADDED
@@ -0,0 +1,72 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ import json
2
+
3
+ import numpy as np
4
+
5
+ from src.load_t2_material_loading_memory import load_trajectory
6
+ from src.t2_material_loading_memory import prescribed_history
7
+ from src.t2_material_loading_memory_v1 import (
8
+ DATA_DIR,
9
+ MATERIAL_MODELS,
10
+ PATH_FAMILIES,
11
+ case_identity,
12
+ design_parameters,
13
+ split_assignments,
14
+ )
15
+
16
+
17
+ def test_v1_design_is_unique_balanced_and_stratified():
18
+ rows = design_parameters()
19
+ split = split_assignments(rows)
20
+ assert len(rows) == 1008
21
+ assert len({case_identity(row) for row in rows}) == 1008
22
+ assert sum(value == "train" for value in split.values()) == 768
23
+ assert sum(value == "validation" for value in split.values()) == 120
24
+ assert sum(value == "test" for value in split.values()) == 120
25
+ for model in MATERIAL_MODELS:
26
+ assert sum(row["material_model"] == model for row in rows) == 504
27
+ for family in PATH_FAMILIES:
28
+ indices = [
29
+ index
30
+ for index, row in enumerate(rows)
31
+ if row["material_model"] == model and row["path_family"] == family
32
+ ]
33
+ assert len(indices) == 84
34
+ assert sum(split[index] == "train" for index in indices) == 64
35
+ assert sum(split[index] == "validation" for index in indices) == 10
36
+ assert sum(split[index] == "test" for index in indices) == 10
37
+
38
+
39
+ def test_v1_parameter_ranges_and_model_labels_are_explicit():
40
+ rows = design_parameters()
41
+ for row in rows:
42
+ assert 150.0e9 <= row["young_pa"] <= 230.0e9
43
+ assert 0.25 <= row["poisson"] <= 0.34
44
+ assert 180.0e6 <= row["yield_stress_pa"] <= 450.0e6
45
+ assert 0.003 <= row["maximum_equivalent_strain"] <= 0.012
46
+ if row["material_model"] == "j2_linear_isotropic":
47
+ assert row["backstress_c1_pa"] == 0.0
48
+ assert row["isotropic_saturation_pa"] == 0.0
49
+ else:
50
+ assert row["hardening_modulus_pa"] == 0.0
51
+ assert row["backstress_c1_pa"] > 0.0
52
+
53
+
54
+ def test_v1_histories_preserve_reversals_under_refinement():
55
+ for row in design_parameters()[::83]:
56
+ _, coarse, anchors = prescribed_history(row, points=121)
57
+ _, fine, _ = prescribed_history(row, points=241)
58
+ np.testing.assert_allclose(coarse, fine[::2], rtol=0.0, atol=1.0e-15)
59
+ for anchor in anchors:
60
+ assert np.any(np.isclose(coarse, anchor, rtol=0.0, atol=1.0e-15))
61
+
62
+
63
+ def test_v1_packaged_data_and_lightweight_reader_when_present():
64
+ manifest_path = DATA_DIR / "manifest.json"
65
+ if not manifest_path.exists():
66
+ return
67
+ manifest = json.loads(manifest_path.read_text(encoding="utf-8"))
68
+ assert manifest["sample_count"] == 1008
69
+ assert len(manifest["shards"]) == 8
70
+ sample = load_trajectory(DATA_DIR, 0)
71
+ assert sample["history"]["stress_pa"].shape == (121, 3, 3)
72
+ assert np.isfinite(sample["history"]["stress_pa"]).all()