Atomizer/CHANGELOG.md

Changelog

All notable changes to Atomizer will be documented in this file.

The format is based on Keep a Changelog.

[Unreleased]

[0.5.0] - 2025-01-24

Project Cleanup & Organization

• Deleted 102+ orphaned MCP session temp files
• Removed build artifacts (htmlcov, dist, pycache)
• Archived superseded plan documents (RALPH_LOOP V2/V3, CANVAS V3, etc.)
• Moved debug/analysis scripts from tests/ to tools/analysis/
• Updated .gitignore with missing patterns
• Cleaned empty directories

[0.4.0] - 2025-01-22

Canvas UX Improvements (Phases 7-9)

• Resizable Panels: Left sidebar (200-400px) and right panel (280-600px) with localStorage persistence
• All Palette Items Enabled: All 8 node types now draggable (model, solver, designVar, extractor, objective, constraint, algorithm, surrogate)
• Solver Configuration: Engine selection (NX Nastran, MSC Nastran, Python Script) with solution type dropdowns (SOL101-SOL200)

AtomizerSpec v2.0

• Unified JSON configuration schema for all studies
• Added SolverEngine and NastranSolutionType types
• Canvas position persistence for all nodes
• Migration support from legacy optimization_config.json

[0.3.0] - 2025-01-18

Dashboard V3.1 - Canvas Builder

• Visual workflow builder with 9 node types
• Spec ↔ ReactFlow bidirectional converter
• WebSocket real-time synchronization
• Claude chat integration
• Custom extractors with in-canvas code editor
• Model introspection panel

Learning Atomizer Core (LAC)

• Persistent memory system for accumulated knowledge
• Session insights recording (failures, workarounds, patterns)
• Optimization outcome tracking

[0.2.5] - 2025-01-16

GNN Surrogate for Zernike Optimization

• PolarMirrorGraph with fixed 3000-node polar grid
• ZernikeGNN model with design-conditioned convolutions
• Differentiable GPU-accelerated Zernike fitting
• Training pipeline with multi-task loss

DevLoop Automation

• Closed-loop development system with AI agents
• Gemini planning, Claude implementation
• Playwright browser testing for dashboard UI

[0.2.1] - 2025-01-07

Optimization Engine v2.0 Restructure

• Reorganized into modular subpackages (core/, nx/, study/, config/)
• SpecManager for AtomizerSpec handling
• Deprecation warnings for old import paths

Phase 3.3 - Dashboard & Multi-Solution Support (November 23, 2025)

Added

• React Dashboard with comprehensive multi-objective visualization

  • Parallel Coordinates Plot with research-based design
    • Light theme with high-visibility colors (white background, dark text)
    • Interactive trial selection and highlighting
    • Color-coded axes: Design Variables (blue) → Objectives (green) → Constraints (yellow)
    • Automatic constraint extraction from trial user_attrs
    • Support for units display (mm, MPa, Hz, g, etc.)
  • Pareto Front scatter plot for multi-objective optimization
  • Real-time WebSocket updates for live monitoring
  • FastAPI backend (port 8000) with Vite frontend (port 3003)
  • Optimizer Strategy Panel showing algorithm info and metrics
  • Comprehensive dashboard documentation: DASHBOARD.md

• NX Multi-Solution Protocol documentation

  • Critical fix for multi-solution workflows documented
  • Best practices for static + modal, thermal + structural simulations
  • NX_MULTI_SOLUTION_PROTOCOL.md

• Centralized Extractor Library

  • optimization_engine/extractors/ with base classes
  • Eliminates code duplication across studies
  • Unified error handling and OP2 file processing

Changed

• CRITICAL FIX: Multi-solution NX workflows now use SolveAllSolutions() API
  • Ensures all solutions (static + modal, etc.) complete before returning
  • Uses Foreground mode for reliable multi-solution solves
  • Prevents stale OP2 files and identical results across trials
  • Implementation in optimization_engine/solve_simulation.py lines 271-295

Fixed

• Multi-solution NX simulations only solving first solution
• Parallel coordinates plot crashes due to undefined axis labels
• Dashboard page crashes from missing data validation
• Identical frequency values across trials in multi-solution studies
• NaN values in constraint visualization

Phase 3.2 - Integration & NX Enhancements (In Progress)

Added

• NX Expression Import System (2025-11-17)

  • Robust .exp file-based expression updates via NX journal scripts
  • Supports ALL NX expression types including binary-stored ones
  • Automatic unit detection and formatting
  • Fixes issue with hole_count and other feature-linked expressions
  • Documentation: NX_EXPRESSION_IMPORT_SYSTEM.md
  • New journal: import_expressions.py for .exp file import
  • Enhanced nx_updater.py with update_expressions_via_import() method

• 4D Design Space Validation (2025-11-17)

  • Validated full 4-variable optimization (beam_half_core_thickness, beam_face_thickness, holes_diameter, hole_count)
  • All variables now updating correctly in optimization loop
  • Mesh adaptation verified across different hole_count values

Phase 2 - LLM Integration (Completed 85%)

• Natural language interface for optimization configuration
• Feature registry with capability catalog
• Claude skill for Atomizer navigation
• LLM workflow analyzer and extractor orchestration
• Dynamic code generation for hooks and extractors

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[0.2.0] - 2025-01-16

Phase 1 - Plugin System & Infrastructure ✅

Added

• Plugin Architecture

  • Hook manager with lifecycle execution at pre_solve, post_solve, and post_extraction points
  • Plugin auto-discovery from optimization_engine/plugins/ directory
  • Priority-based hook execution
  • Context passing system for hooks (output_dir, trial_number, design_variables, results)

• Logging Infrastructure

  • Detailed per-trial logs in optimization_results/trial_logs/
    • Complete iteration trace with timestamps
    • Design variables, configuration, execution timeline
    • Extracted results and constraint evaluations
  • High-level optimization progress log (optimization.log)
    • Configuration summary header
    • Trial START and COMPLETE entries (one line per trial)
    • Compact format for easy progress monitoring

• Logging Plugins

  • detailed_logger.py - Creates detailed trial logs
  • optimization_logger.py - Creates high-level optimization.log
  • log_solve_complete.py - Appends solve completion to trial logs
  • log_results.py - Appends extracted results to trial logs
  • optimization_logger_results.py - Appends results to optimization.log

• Project Organization

  • Studies folder structure with standardized layout
  • Comprehensive studies documentation (studies/README.md)
  • Model files organized in model/ subdirectory (.prt, .sim, .fem)
  • Intelligent path resolution system (atomizer_paths.py)
  • Marker-based project root detection

• Test Suite

  • test_hooks_with_bracket.py - Hook validation test (3 trials)
  • run_5trial_test.py - Quick integration test (5 trials)
  • test_journal_optimization.py - Full optimization test

Changed

• Renamed examples/ folder to studies/
• Moved bracket example to studies/bracket_stress_minimization/
• Consolidated FEA files into model/ subfolder
• Updated all test scripts to use atomizer_paths for imports
• Runner now passes output_dir to all hook contexts

Removed

• Obsolete test scripts from examples/ (14 files deleted)
• optimization_logs/ and optimization_results/ from root directory

Fixed

• Log files now correctly generated in study-specific optimization_results/ folder
• Path resolution works regardless of script location
• Hooks properly registered with register_hooks() function

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[0.1.0] - 2025-01-10

Initial Release

Core Features

• Optuna integration with TPE sampler
• NX journal integration for expression updates and simulation execution
• OP2 result extraction (stress, displacement)
• Study management with folder-based isolation
• Web dashboard for real-time monitoring
• Precision control (4-decimal rounding for mm/degrees/MPa)
• Crash recovery and optimization resumption

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Development Timeline

• Phase 1 (✅ Completed 2025-01-16): Plugin system & hooks
• Phase 2 (🟡 Starting): LLM interface with natural language configuration
• Phase 3 (Planned): Dynamic code generation for custom objectives
• Phase 4 (Planned): Intelligent analysis and surrogate quality assessment
• Phase 5 (Planned): Automated HTML/PDF report generation
• Phase 6 (Planned): NX MCP server with full API documentation
• Phase 7 (Planned): Self-improving feature registry

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Maintainer: Antoine Polvé (antoine@atomaste.com) License: Proprietary - Atomaste © 2025