Files
Atomizer/docs/reference/ATOMIZER_FIELD_CONCEPT.md
Anto01 857c01e7ca chore: major repo cleanup - remove dead code and cruft
Remove ~24K lines of dead code for a lean rebuild foundation:

- Remove atomizer-field/ (neural field predictor experiment, concept archived in docs)
- Remove generated_extractors/, generated_hooks/ (legacy generator outputs)
- Remove optimization_validation/ (empty skeleton)
- Remove reports/ (superseded by optimization_engine/reporting/)
- Remove root-level stale files: DEVELOPMENT.md, INSTALL_INSTRUCTIONS.md,
  config.py, atomizer_paths.py, optimization_config.json, train_neural.bat,
  generate_training_data.py, run_training_fea.py, migrate_imports.py
- Update .gitignore for introspection caches and insight outputs

Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
2026-02-09 14:26:37 -05:00

1.9 KiB

AtomizerField - Neural Field Predictor (Concept Archive)

Status: Concept archived. Code removed during repo cleanup (Feb 2026). Original location: atomizer-field/

Idea

Instead of extracting just scalar values (max stress, mass) from FEA results, capture complete field data - stress, displacement, and strain at every node and element. Train a GNN to predict full fields from design parameters, enabling 1000x faster optimization with true physics understanding.

Architecture (Two-Phase)

Phase 1: Data Pipeline
  NX Nastran (.bdf, .op2) → neural_field_parser.py → Neural Field Format (JSON + HDF5)

Phase 2: Neural Network
  Graph representation → GNN training (train.py + field_predictor.py) → Field predictions (5-50ms)

Key Components

  • neural_field_parser.py - Parsed BDF/OP2 into complete field data (displacement, stress, strain at ALL nodes/elements)
  • train.py - GNN training pipeline using PyTorch Geometric
  • predict.py - Inference for field predictions
  • optimization_interface.py - Integration with Atomizer optimization loop

Data Format

  • HDF5 for large arrays (field values per node)
  • JSON for metadata (mesh topology, material properties, BCs)
  • Versioned format (v1.0) designed for neural network training

Relationship to Current GNN Module

The optimization_engine/gnn/ module (ZernikeGNN) is the evolved version of this concept, specialized for mirror Zernike coefficient prediction rather than full-field prediction. If full-field prediction is needed in the future, this concept provides the architecture blueprint.

Training Data Requirements

  • SOL 101 (Linear Static) results with DISPLACEMENT=ALL, STRESS=ALL, STRAIN=ALL
  • Organized as training cases with input (.bdf) and output (.op2) pairs
  • The atomizer_field_training_data/ directory contained ~66MB of sample training data (also removed)