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feat: Add neural loop automation - templates, auto-trainer, CLI

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Closes the neural training loop with automated workflow:
- atomizer.py: One-command neural workflow CLI
- auto_trainer.py: Auto-training trigger system (50pt threshold)
- template_loader.py: Study creation from templates
- study_reset.py: Study reset/cleanup utility
- 3 templates: beam stiffness, bracket stress, frequency tuning
- State assessment document (Nov 25)

Usage: python atomizer.py neural-optimize --study my_study --trials 500

🤖 Generated with [Claude Code](https://claude.com/claude-code)

Co-Authored-By: Claude <noreply@anthropic.com>
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# Atomizer Study Templates
Quick-start templates for common structural optimization problems.
## Available Templates
| Template | Analysis | Objectives | Use Case |
|----------|----------|------------|----------|
| `beam_stiffness_optimization` | Static | Maximize stiffness | Cantilever beams, support arms |
| `bracket_stress_minimization` | Static | Minimize stress | Mounting brackets, L-brackets |
| `frequency_tuning` | Modal | Minimize mass + Maximize frequency | Motor mounts, drone arms |
## Usage
### Option 1: Create Study from Template (Recommended)
```bash
python -m atomizer create-study --template beam_stiffness --name my_beam_study
```
This creates a new study folder with:
- `1_setup/optimization_config.json` - Configuration (editable)
- `1_setup/model/` - Empty folder for your NX files
- `2_results/` - Empty folder for results
- `run_optimization.py` - Runner script
- `README.md` - Study-specific instructions
### Option 2: Copy and Customize
1. Copy template JSON to your study folder:
```bash
copy templates\beam_stiffness_optimization.json studies\my_study\1_setup\optimization_config.json
```
2. Edit the config:
- Update `study_name`
- Adjust `design_variables` bounds for your model
- Modify `constraints` thresholds
- Update `simulation` file names
3. Add your NX model files to `1_setup/model/`
4. Run optimization:
```bash
python studies\my_study\run_optimization.py --trials 50
```
## Template Details
### Beam Stiffness Optimization
**Goal**: Maximize bending stiffness (minimize tip displacement) while staying under mass budget.
**Design Variables**:
- `beam_width` - Cross-section width (mm)
- `beam_height` - Cross-section height (mm)
- `beam_length` - Overall length (mm)
**Constraints**:
- Maximum mass limit
- Maximum stress limit
**Required NX Expressions**: `beam_width`, `beam_height`, `beam_length`
---
### Bracket Stress Minimization
**Goal**: Minimize peak von Mises stress to increase fatigue life and safety factor.
**Design Variables**:
- `wall_thickness` - Main wall thickness (mm)
- `fillet_radius` - Corner radius (mm) - key for stress relief
- `web_thickness` - Stiffening web thickness (mm)
- `rib_count` - Number of stiffening ribs (integer)
**Constraints**:
- Maximum displacement limit (stiffness)
- Maximum mass limit (weight budget)
**Required NX Expressions**: `wall_thickness`, `fillet_radius`, `web_thickness`, `rib_count`
---
### Frequency Tuning
**Goal**: Multi-objective - minimize mass while maximizing first natural frequency to avoid resonance.
**Design Variables**:
- `section_width` - Cross-section width (mm)
- `section_height` - Cross-section height (mm)
- `arm_length` - Cantilever length (mm)
- `wall_thickness` - Wall thickness for hollow sections (mm)
**Constraints**:
- Minimum frequency limit (above excitation)
- Maximum stress limit (static strength)
**Required NX Expressions**: `section_width`, `section_height`, `arm_length`, `wall_thickness`
**Note**: Requires modal analysis solution (SOL 103) in NX simulation.
## Customizing Templates
Templates are JSON files with placeholders. Key sections to customize:
```json
{
"study_name": "your_study_name",
"design_variables": [
{
"parameter": "your_nx_expression_name",
"bounds": [min_value, max_value],
"description": "What this parameter controls"
}
],
"constraints": [
{
"name": "your_constraint",
"type": "less_than",
"threshold": your_limit
}
],
"simulation": {
"model_file": "YourModel.prt",
"sim_file": "YourModel_sim1.sim"
}
}
```
## Creating Custom Templates
1. Copy an existing template closest to your problem
2. Modify for your specific use case
3. Save as `templates/your_template_name.json`
4. The template will be available via `--template your_template_name`
## Neural Network Training
All templates include `training_data_export` enabled by default:
```json
"training_data_export": {
"enabled": true,
"export_dir": "atomizer_field_training_data/${study_name}"
}
```
This automatically exports training data for AtomizerField neural surrogate training.

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{
"study_name": "beam_stiffness_optimization",
"description": "Beam Stiffness Optimization - Maximize stiffness while minimizing mass",
"engineering_context": "Cantilever beam optimization. Find optimal cross-section dimensions to maximize bending stiffness under tip load while minimizing weight.",
"template_info": {
"category": "structural",
"analysis_type": "static",
"typical_applications": ["cantilever beams", "support arms", "brackets"],
"required_nx_expressions": ["beam_width", "beam_height", "beam_length"]
},
"optimization_settings": {
"protocol": "protocol_10_single_objective",
"n_trials": 50,
"sampler": "TPE",
"pruner": "MedianPruner",
"timeout_per_trial": 300
},
"design_variables": [
{
"parameter": "beam_width",
"bounds": [10, 50],
"description": "Beam cross-section width (mm)",
"units": "mm"
},
{
"parameter": "beam_height",
"bounds": [10, 80],
"description": "Beam cross-section height (mm)",
"units": "mm"
},
{
"parameter": "beam_length",
"bounds": [100, 500],
"description": "Beam length (mm)",
"units": "mm"
}
],
"objectives": [
{
"name": "stiffness",
"goal": "maximize",
"weight": 1.0,
"description": "Effective bending stiffness (inverse of tip displacement under unit load)",
"target": 10000,
"extraction": {
"action": "extract_displacement",
"domain": "result_extraction",
"params": {
"result_type": "displacement",
"metric": "max",
"invert": true
}
}
}
],
"constraints": [
{
"name": "max_mass_limit",
"type": "less_than",
"threshold": 500,
"description": "Maximum mass < 500g",
"extraction": {
"action": "extract_mass",
"domain": "result_extraction",
"params": {
"result_type": "mass",
"metric": "total"
}
}
},
{
"name": "max_stress_limit",
"type": "less_than",
"threshold": 200,
"description": "Maximum von Mises stress < 200 MPa",
"extraction": {
"action": "extract_stress",
"domain": "result_extraction",
"params": {
"result_type": "stress",
"metric": "max_von_mises"
}
}
}
],
"simulation": {
"model_file": "Beam.prt",
"sim_file": "Beam_sim1.sim",
"fem_file": "Beam_fem1.fem",
"solver": "nastran",
"analysis_types": ["static"]
},
"reporting": {
"generate_plots": true,
"save_incremental": true,
"llm_summary": false
},
"training_data_export": {
"enabled": true,
"export_dir": "atomizer_field_training_data/${study_name}",
"export_every_n_trials": 1,
"include_mesh": true,
"compress": false
}
}

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{
"study_name": "bracket_stress_minimization",
"description": "Bracket Stress Minimization - Minimize peak stress while maintaining stiffness",
"engineering_context": "L-bracket or mounting bracket optimization. Minimize stress concentrations by adjusting fillet radii, wall thickness, and material distribution.",
"template_info": {
"category": "structural",
"analysis_type": "static",
"typical_applications": ["mounting brackets", "L-brackets", "gusset plates", "corner joints"],
"required_nx_expressions": ["wall_thickness", "fillet_radius", "web_thickness"]
},
"optimization_settings": {
"protocol": "protocol_10_single_objective",
"n_trials": 75,
"sampler": "TPE",
"pruner": "MedianPruner",
"timeout_per_trial": 400
},
"design_variables": [
{
"parameter": "wall_thickness",
"bounds": [2, 10],
"description": "Main wall thickness (mm)",
"units": "mm"
},
{
"parameter": "fillet_radius",
"bounds": [3, 20],
"description": "Corner fillet radius (mm) - stress relief",
"units": "mm"
},
{
"parameter": "web_thickness",
"bounds": [1, 8],
"description": "Stiffening web thickness (mm)",
"units": "mm"
},
{
"parameter": "rib_count",
"bounds": [0, 5],
"description": "Number of stiffening ribs",
"type": "integer"
}
],
"objectives": [
{
"name": "max_stress",
"goal": "minimize",
"weight": 1.0,
"description": "Peak von Mises stress (MPa)",
"target": 50,
"extraction": {
"action": "extract_stress",
"domain": "result_extraction",
"params": {
"result_type": "stress",
"metric": "max_von_mises"
}
}
}
],
"constraints": [
{
"name": "max_displacement_limit",
"type": "less_than",
"threshold": 0.5,
"description": "Maximum displacement < 0.5mm for stiffness requirement",
"extraction": {
"action": "extract_displacement",
"domain": "result_extraction",
"params": {
"result_type": "displacement",
"metric": "max"
}
}
},
{
"name": "max_mass_limit",
"type": "less_than",
"threshold": 200,
"description": "Maximum mass < 200g for weight budget",
"extraction": {
"action": "extract_mass",
"domain": "result_extraction",
"params": {
"result_type": "mass",
"metric": "total"
}
}
}
],
"simulation": {
"model_file": "Bracket.prt",
"sim_file": "Bracket_sim1.sim",
"fem_file": "Bracket_fem1.fem",
"solver": "nastran",
"analysis_types": ["static"]
},
"reporting": {
"generate_plots": true,
"save_incremental": true,
"llm_summary": false
},
"training_data_export": {
"enabled": true,
"export_dir": "atomizer_field_training_data/${study_name}",
"export_every_n_trials": 1,
"include_mesh": true,
"compress": false
}
}

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{
"study_name": "frequency_tuning_optimization",
"description": "Natural Frequency Tuning - Adjust structural dynamics to avoid resonance",
"engineering_context": "Modal optimization for avoiding resonance with excitation sources (motors, rotors, vibration). Tune natural frequencies away from operating frequencies while minimizing mass.",
"template_info": {
"category": "dynamics",
"analysis_type": "modal",
"typical_applications": ["motor mounts", "drone arms", "rotating equipment supports", "vibration isolation"],
"required_nx_expressions": ["section_width", "section_height", "arm_length"],
"notes": "Requires modal analysis (SOL 103) solution in NX"
},
"optimization_settings": {
"protocol": "protocol_11_multi_objective",
"n_trials": 60,
"sampler": "NSGAIISampler",
"pruner": null,
"timeout_per_trial": 500
},
"design_variables": [
{
"parameter": "section_width",
"bounds": [10, 40],
"description": "Cross-section width (mm) - affects stiffness",
"units": "mm"
},
{
"parameter": "section_height",
"bounds": [10, 60],
"description": "Cross-section height (mm) - affects stiffness in bending plane",
"units": "mm"
},
{
"parameter": "arm_length",
"bounds": [80, 200],
"description": "Arm/cantilever length (mm) - strongly affects frequency",
"units": "mm"
},
{
"parameter": "wall_thickness",
"bounds": [1, 5],
"description": "Wall thickness for hollow sections (mm)",
"units": "mm"
}
],
"objectives": [
{
"name": "mass",
"goal": "minimize",
"weight": 1.0,
"description": "Total mass (grams) - minimize for weight savings",
"target": 50,
"extraction": {
"action": "extract_mass",
"domain": "result_extraction",
"params": {
"result_type": "mass",
"metric": "total"
}
}
},
{
"name": "first_frequency",
"goal": "maximize",
"weight": 1.0,
"description": "First natural frequency (Hz) - push away from excitation",
"target": 200,
"extraction": {
"action": "extract_frequency",
"domain": "result_extraction",
"params": {
"result_type": "frequency",
"mode_number": 1
}
}
}
],
"constraints": [
{
"name": "min_frequency_limit",
"type": "greater_than",
"threshold": 120,
"description": "First natural frequency > 120 Hz (above rotor harmonics)",
"extraction": {
"action": "extract_frequency",
"domain": "result_extraction",
"params": {
"result_type": "frequency",
"mode_number": 1
}
}
},
{
"name": "max_stress_limit",
"type": "less_than",
"threshold": 150,
"description": "Maximum stress < 150 MPa under static load",
"extraction": {
"action": "extract_stress",
"domain": "result_extraction",
"params": {
"result_type": "stress",
"metric": "max_von_mises"
}
}
}
],
"simulation": {
"model_file": "Arm.prt",
"sim_file": "Arm_sim1.sim",
"fem_file": "Arm_fem1.fem",
"solver": "nastran",
"analysis_types": ["modal", "static"]
},
"reporting": {
"generate_plots": true,
"save_incremental": true,
"llm_summary": false
},
"training_data_export": {
"enabled": true,
"export_dir": "atomizer_field_training_data/${study_name}",
"export_every_n_trials": 1,
"include_mesh": true,
"compress": false
}
}