Atomizer/.claude/skills/01_CHEATSHEET.md

skill_id, version, last_updated, type, code_dependencies, requires_skills

skill_id	version	last_updated	type	code_dependencies	requires_skills
SKILL_001	2.3	2025-12-29	reference	optimization_engine/extractors/__init__.py optimization_engine/core/method_selector.py optimization_engine/utils/trial_manager.py optimization_engine/utils/dashboard_db.py	SKILL_000

Atomizer Quick Reference Cheatsheet

Version: 2.3 Updated: 2025-12-29 Purpose: Rapid lookup for common operations. "I want X → Use Y"

---

Task → Protocol Quick Lookup

I want to...	Use Protocol	Key Command/Action
Create a new optimization study	OP_01	Place in studies/{geometry_type}/, generate config + runner + README.md
Run an optimization	OP_02	conda activate atomizer && python run_optimization.py
Check optimization progress	OP_03	Query study.db or check dashboard at localhost:3000
See best results	OP_04	optuna-dashboard sqlite:///study.db or dashboard
Export neural training data	OP_05	python run_optimization.py --export-training
Fix an error	OP_06	Read error log → follow diagnostic tree
Free disk space	OP_07	archive_study.bat cleanup <study> --execute
Add custom physics extractor	EXT_01	Create in optimization_engine/extractors/
Add lifecycle hook	EXT_02	Create in optimization_engine/plugins/
Generate physics insight	SYS_16	python -m optimization_engine.insights generate <study>

---

Extractor Quick Reference

Physics	Extractor	Function Call
Max displacement	E1	extract_displacement(op2_file, subcase=1)
Natural frequency	E2	extract_frequency(op2_file, subcase=1, mode_number=1)
Von Mises stress	E3	extract_solid_stress(op2_file, subcase=1, element_type='cquad4')
BDF mass	E4	extract_mass_from_bdf(bdf_file)
CAD expression mass	E5	extract_mass_from_expression(prt_file, expression_name='p173')
Field data	E6	FieldDataExtractor(field_file, result_column, aggregation)
Stiffness (k=F/δ)	E7	StiffnessCalculator(...)
Zernike WFE (standard)	E8	extract_zernike_from_op2(op2_file, bdf_file, subcase)
Zernike relative	E9	extract_zernike_relative_rms(op2_file, bdf_file, target, ref)
Zernike builder	E10	ZernikeObjectiveBuilder(op2_finder)
Part mass + material	E11	extract_part_mass_material(prt_file) → mass, volume, material
Zernike Analytic	E20	extract_zernike_analytic(op2_file, focal_length=5000.0)
Zernike OPD	E22	extract_zernike_opd(op2_file) ← Most rigorous, RECOMMENDED

Mass extraction tip: Always use E11 (geometry .prt) over E4 (BDF) for accuracy. pyNastran under-reports mass ~7% on hex-dominant meshes with tet/pyramid fills.

Full details: See SYS_12_EXTRACTOR_LIBRARY.md or modules/extractors-catalog.md

---

Protocol Selection Guide

Single Objective Optimization

Question: Do you have ONE goal to minimize/maximize?
├─ Yes, simple problem (smooth, <10 params)
│   └─► Protocol 10 + CMA-ES or GP-BO sampler
│
├─ Yes, complex problem (noisy, many params)
│   └─► Protocol 10 + TPE sampler
│
└─ Not sure about problem characteristics?
    └─► Protocol 10 with adaptive characterization (default)

Multi-Objective Optimization

Question: Do you have 2-3 competing goals?
├─ Yes (e.g., minimize mass AND minimize stress)
│   └─► Protocol 11 + NSGA-II sampler
│
└─ Pareto front needed?
    └─► Protocol 11 (returns best_trials, not best_trial)

Neural Network Acceleration

Question: Do you need >50 trials OR surrogate model?
├─ Yes
│   └─► Protocol 14 (configure surrogate_settings in config)
│
└─ Training data export needed?
    └─► OP_05_EXPORT_TRAINING_DATA.md

---

Configuration Quick Reference

optimization_config.json Structure

{
  "study_name": "my_study",
  "design_variables": [
    {"name": "thickness", "min": 1.0, "max": 10.0, "unit": "mm"}
  ],
  "objectives": [
    {"name": "mass", "goal": "minimize", "unit": "kg"}
  ],
  "constraints": [
    {"name": "max_stress", "type": "<=", "threshold": 250, "unit": "MPa"}
  ],
  "optimization_settings": {
    "protocol": "protocol_10_single_objective",
    "sampler": "TPESampler",
    "n_trials": 50
  },
  "simulation": {
    "model_file": "model.prt",
    "sim_file": "model.sim",
    "solver": "nastran"
  }
}

Sampler Quick Selection

Sampler	Use When	Protocol
TPESampler	Default, robust to noise	P10
CMAESSampler	Smooth, unimodal problems	P10
GPSampler	Expensive FEA, few trials	P10
NSGAIISampler	Multi-objective (2-3 goals)	P11
RandomSampler	Characterization phase only	P10
L-BFGS	Polish phase (after surrogate)	P14

L-BFGS Gradient Optimization (NEW)

Exploits surrogate differentiability for 100-1000x faster local refinement:

from optimization_engine.core.gradient_optimizer import GradientOptimizer, run_lbfgs_polish

# Quick usage - polish from top FEA candidates
results = run_lbfgs_polish(study_dir, n_starts=20, n_iterations=100)

# Or with more control
optimizer = GradientOptimizer(surrogate, objective_weights=[5.0, 5.0, 1.0])
result = optimizer.optimize(starting_points=top_candidates, method='lbfgs')

CLI usage:

python -m optimization_engine.core.gradient_optimizer studies/my_study --n-starts 20

# Or per-study script (if available)
python run_lbfgs_polish.py --n-starts 20 --grid-then-grad

When to use: After training surrogate, before final FEA validation

---

Study File Structure

studies/{study_name}/
├── 1_setup/
│   ├── model/              # NX files (.prt, .sim, .fem)
│   └── optimization_config.json
├── 2_results/
│   ├── study.db            # Optuna SQLite database
│   ├── optimizer_state.json # Real-time state (P13)
│   └── trial_logs/
├── README.md               # MANDATORY: Engineering blueprint
├── STUDY_REPORT.md         # MANDATORY: Results tracking
└── run_optimization.py     # Entrypoint script

---

Common Commands

# Activate environment (ALWAYS FIRST)
conda activate atomizer

# Run optimization
python run_optimization.py --start

# Run with specific trial count
python run_optimization.py --start --trials 50

# Resume interrupted optimization
python run_optimization.py --start --resume

# Export training data for neural network
python run_optimization.py --export-training

# View results in Optuna dashboard
optuna-dashboard sqlite:///3_results/study.db

# Check study status
python -c "import optuna; s=optuna.load_study('my_study', 'sqlite:///3_results/study.db'); print(f'Trials: {len(s.trials)}')"

When to Use --resume

Scenario	Command
First run of NEW study	python run_optimization.py --start --trials 50
First run with SEEDING (e.g., V15 from V14)	python run_optimization.py --start --trials 50
Continue INTERRUPTED run	python run_optimization.py --start --resume
Add MORE trials to completed study	python run_optimization.py --start --trials 20 --resume

Key insight: --resume is for continuing an existing study.db, NOT for seeding from prior studies. Seeding happens automatically on first run when source_studies is configured.

---

Disk Space Management (OP_07)

FEA studies consume massive disk space. After completion, clean up regenerable files:

Quick Commands

# Analyze disk usage
archive_study.bat analyze studies\M1_Mirror

# Cleanup completed study (dry run first!)
archive_study.bat cleanup studies\M1_Mirror\m1_mirror_V12
archive_study.bat cleanup studies\M1_Mirror\m1_mirror_V12 --execute

# Archive to dalidou server
archive_study.bat archive studies\M1_Mirror\m1_mirror_V12 --execute

# List remote archives
archive_study.bat list

What Gets Deleted vs Kept

KEEP	DELETE
.op2 (Nastran results)	.prt, .fem, .sim (copies of master)
.json (params/metadata)	.dat (solver input)
1_setup/ (master files)	.f04, .f06, .log (solver logs)
3_results/ (database)	.afm, .diag, .bak (temp files)

Typical Savings

Stage	M1_Mirror Example
Full	194 GB
After cleanup	114 GB (41% saved)
Archived to server	5 GB local (97% saved)

Full details: docs/protocols/operations/OP_07_DISK_OPTIMIZATION.md

---

LAC (Learning Atomizer Core) Commands

# View LAC statistics
python knowledge_base/lac.py stats

# Generate full LAC report
python knowledge_base/lac.py report

# View pending protocol updates
python knowledge_base/lac.py pending

# Query insights for a context
python knowledge_base/lac.py insights "bracket mass optimization"

Python API Quick Reference

from knowledge_base.lac import get_lac
lac = get_lac()

# Query prior knowledge
insights = lac.get_relevant_insights("bracket mass")
similar = lac.query_similar_optimizations("bracket", ["mass"])
rec = lac.get_best_method_for("bracket", n_objectives=1)

# Record learning
lac.record_insight("success_pattern", "context", "insight", confidence=0.8)

# Record optimization outcome
lac.record_optimization_outcome(study_name="...", geometry_type="...", ...)

---

Error Quick Fixes

Error	Likely Cause	Quick Fix
"No module named optuna"	Wrong environment	conda activate atomizer
"NX session timeout"	Model too complex	Increase timeout in config
"OP2 file not found"	Solve failed	Check NX log for errors
"No feasible solutions"	Constraints too tight	Relax constraint thresholds
"NSGA-II requires >1 objective"	Wrong protocol	Use P10 for single-objective
"Expression not found"	Wrong parameter name	Verify expression names in NX
All trials identical results	Missing *_i.prt	Copy idealized part to study folder!

Full troubleshooting: See OP_06_TROUBLESHOOT.md

---

CRITICAL: NX FEM Mesh Update

If all optimization trials produce identical results, the mesh is NOT updating!

Required Files for Mesh Updates

studies/{study}/1_setup/model/
├── Model.prt           # Geometry
├── Model_fem1_i.prt    # Idealized part ← MUST EXIST!
├── Model_fem1.fem      # FEM
└── Model_sim1.sim      # Simulation

Why It Matters

The *_i.prt (idealized part) MUST be:

1. Present in the study folder
2. Loaded before UpdateFemodel() (already implemented in solve_simulation.py)

Without it, UpdateFemodel() runs but the mesh doesn't change!

---

Privilege Levels

Level	Can Create Studies	Can Add Extractors	Can Add Protocols
user	✓	✗	✗
power_user	✓	✓	✗
admin	✓	✓	✓

---

Dashboard URLs

Service	URL	Purpose
Atomizer Dashboard	http://localhost:3000	Real-time optimization monitoring
Optuna Dashboard	http://localhost:8080	Trial history, parameter importance
API Backend	http://localhost:5000	REST API for dashboard

---

Protocol Numbers Reference

#	Name	Purpose
10	IMSO	Intelligent Multi-Strategy Optimization (adaptive)
11	Multi-Objective	NSGA-II for Pareto optimization
12	Extractor Library	Physics extraction catalog
13	Dashboard	Real-time tracking and visualization
14	Neural	Surrogate model acceleration
15	Method Selector	Recommends optimization strategy
16	Study Insights	Physics visualizations (Zernike, stress, modal)

---

Study Insights Quick Reference (SYS_16)

Generate physics-focused visualizations from FEA results.

Available Insight Types

Type	Purpose	Data Required
zernike_dashboard	RECOMMENDED: Unified WFE dashboard	OP2 with displacements
zernike_wfe	WFE with Standard/OPD toggle	OP2 with displacements
zernike_opd_comparison	Compare Standard vs OPD methods	OP2 with displacements
stress_field	Von Mises stress contours	OP2 with stresses
modal	Mode shapes + frequencies	OP2 with eigenvectors
thermal	Temperature distribution	OP2 with temperatures
design_space	Parameter-objective landscape	study.db with 5+ trials

Zernike Method Comparison

Method	Use	RMS Difference
Standard (Z-only)	Quick analysis	Baseline
OPD (X,Y,Z) ← RECOMMENDED	Any surface with lateral displacement	+8-11% higher (more accurate)

Commands

# List available insights for a study
python -m optimization_engine.insights list

# Generate all insights
python -m optimization_engine.insights generate studies/my_study

# Generate specific insight
python -m optimization_engine.insights generate studies/my_study --type zernike_wfe

Python API

from optimization_engine.insights import get_insight, list_available_insights
from pathlib import Path

study_path = Path("studies/my_study")

# Check what's available
available = list_available_insights(study_path)

# Generate Zernike WFE insight
insight = get_insight('zernike_wfe', study_path)
result = insight.generate()
print(result.html_path)  # Path to generated HTML
print(result.summary)    # Key metrics dict

Output: HTMLs saved to {study}/3_insights/

---

CRITICAL: NXSolver Initialization Pattern

NEVER pass full config dict to NXSolver. Use named parameters:

# WRONG - causes TypeError
self.nx_solver = NXSolver(self.config)  # ❌

# CORRECT - use FEARunner pattern from V14/V15
nx_settings = self.config.get('nx_settings', {})
nx_install_dir = nx_settings.get('nx_install_path', 'C:\\Program Files\\Siemens\\NX2506')

# Extract version from path
import re
version_match = re.search(r'NX(\d+)', nx_install_dir)
nastran_version = version_match.group(1) if version_match else "2506"

self.nx_solver = NXSolver(
    master_model_dir=str(self.master_model_dir),  # Path to 1_setup/model
    nx_install_dir=nx_install_dir,
    nastran_version=nastran_version,
    timeout=nx_settings.get('simulation_timeout_s', 600),
    use_iteration_folders=True,
    study_name="my_study_name"
)

FEARunner Class Pattern

Always wrap NXSolver in a FEARunner class for:

• Lazy initialization (setup on first use)
• Clean separation of NX setup from optimization logic
• Consistent error handling

class FEARunner:
    def __init__(self, config: Dict):
        self.config = config
        self.nx_solver = None
        self.master_model_dir = SETUP_DIR / "model"

    def setup(self):
        # Initialize NX and solver here
        ...

    def run_fea(self, params: Dict, trial_num: int) -> Optional[Dict]:
        if self.nx_solver is None:
            self.setup()
        # Run simulation...

Reference implementations:

• studies/m1_mirror_adaptive_V14/run_optimization.py
• studies/m1_mirror_adaptive_V15/run_optimization.py

---

Trial Management Utilities

TrialManager - Unified Trial Folder + DB Management

from optimization_engine.utils.trial_manager import TrialManager

tm = TrialManager(study_dir)

# Start new trial (creates folder, saves params)
trial = tm.new_trial(
    params={'rib_thickness': 10.5, 'mirror_face_thickness': 17.0},
    source="turbo",
    metadata={'turbo_batch': 1, 'predicted_ws': 42.0}
)
# Returns: {'trial_id': 47, 'trial_number': 47, 'folder_path': Path(...)}

# After FEA completes
tm.complete_trial(
    trial_number=trial['trial_number'],
    objectives={'wfe_40_20': 5.63, 'mass_kg': 118.67},
    weighted_sum=42.5,
    is_feasible=True
)

# Mark failed trial
tm.fail_trial(trial_number=47, error="NX solver timeout")

DashboardDB - Optuna-Compatible Database

from optimization_engine.utils.dashboard_db import DashboardDB, convert_custom_to_optuna

# Create new dashboard-compatible database
db = DashboardDB(db_path, study_name="my_study")

# Log a trial
trial_id = db.log_trial(
    params={'rib_thickness': 10.5},
    objectives={'wfe_40_20': 5.63, 'mass_kg': 118.67},
    weighted_sum=42.5,
    is_feasible=True,
    state="COMPLETE"
)

# Mark best trial
db.mark_best(trial_id)

# Get summary
summary = db.get_summary()

# Convert existing custom database to Optuna format
convert_custom_to_optuna(db_path, study_name)

Trial Naming Convention

2_iterations/
├── trial_0001/    # Zero-padded, monotonically increasing
├── trial_0002/    # NEVER reset, NEVER overwritten
└── trial_0003/

Key principles:

• Trial numbers NEVER reset across study lifetime
• Surrogate predictions (5K per batch) are NOT logged as trials
• Only FEA-validated results become trials