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(REFAC): Revise CODEBASE_INVENTORY.md for comprehensive audit and enhanced clarity on system architecture and module functionalities
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# Codebase
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## Overview
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A comprehensive machine learning system for AI-driven polymer aging prediction and classification using spectral data analysis. The project implements multiple CNN architectures (Figure2CNN, ResNet1D, ResNet18Vision) to classify polymer degradation levels as a proxy for recyclability, built with Python, PyTorch, and featuring both CLI and Streamlit UI workflows.
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##
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### 1. Core Application Modules
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- **Purpose**: Central registry system for model architectures providing dynamic model selection and instantiation
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- **Key Exports/Functions**: `choices()`, `build(name, input_length)`, `_REGISTRY`
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- **Key Dependencies**: `models.figure2_cnn`, `models.resnet_cnn`, `models.resnet18_vision`
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- **External Dependencies**: `typing`
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- **Module Name**: `models/figure2_cnn.py`
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- **Purpose**: CNN architecture implementation based on literature (Neo et al. 2023) for 1D Raman spectral classification
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- **Key Exports/Functions**: `Figure2CNN` class with conv blocks and classifier layers
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- **Key Dependencies**: None (self-contained)
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- **External Dependencies**: `torch`, `torch.nn`
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- **Purpose**: ResNet1D implementation with residual blocks for deeper spectral feature learning
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- **Key Exports/Functions**: `ResNet1D`, `ResidualBlock1D` classes
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- **Key Dependencies**: None (self-contained)
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- **External Dependencies**: `torch`, `torch.nn`
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- **Module Name**: `models/resnet18_vision.py`
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- **Purpose**: ResNet18 architecture adapted for 1D spectral data processing
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- **Key Exports/Functions**: `ResNet18Vision` class
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- **Key Dependencies**: None (self-contained)
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- **External Dependencies**: `torch`, `torch.nn`
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- **Purpose**: Spectral data preprocessing utilities including resampling, baseline correction, smoothing, and normalization
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- **Key Exports/Functions**: `preprocess_spectrum()`, `resample_spectrum()`, `remove_baseline()`, `normalize_spectrum()`, `smooth_spectrum()`
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- **Key Dependencies**: None (self-contained)
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- **External Dependencies**: `numpy`, `scipy.interpolate`, `scipy.signal`, `sklearn.preprocessing`
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- **Purpose**: Comprehensive dataset preprocessing pipeline with CLI interface for Raman spectral data
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- **Key Exports/Functions**: `preprocess_dataset()`, `resample_spectrum()`, `label_file()`, preprocessing helper functions
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- **Key Dependencies**: `scripts.discover_raman_files`, `scripts.plot_spectrum`
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- **External Dependencies**: `numpy`, `scipy`, `sklearn.preprocessing`
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###
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- **Trigger**: Manual execution (`./validate_pipeline.sh`)
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- **Apparent Function**: Canonical smoke test validating the complete Raman pipeline from preprocessing through training to inference
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- **Dependencies**: `conda`, `scripts/preprocess_dataset.py`, `scripts/train_model.py`, `scripts/run_inference.py`, `scripts/plot_spectrum.py`
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- **Trigger**: CLI execution (`python scripts/train_model.py`)
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- **Apparent Function**: 10-fold stratified cross-validation training with multiple model architectures and preprocessing options
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- **Dependencies**: `scripts/preprocess_dataset`, `models/registry`, reproducibility seeds, PyTorch training loop
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- **Trigger**: CLI execution (`python scripts/plot_spectrum.py`)
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- **Apparent Function**: Visualization tool for Raman spectra with matplotlib plotting and file I/O
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- **Dependencies**: Spectrum loading utilities
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- **Trigger**: CLI or import
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- **Apparent Function**: Dataset inventory and spectrum listing utilities
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- **Dependencies**: File system scanning
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###
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- **Purpose**: Python dependencies for Hugging Face Spaces deployment
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- **Key Contents/Structure**: `streamlit`, `torch`, `torchvision`, `scikit-learn`, `scipy`, `numpy`, `pandas`, `matplotlib`, `fastapi`, `altair`, `huggingface-hub`
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- **Purpose**: Sample Raman spectrum for UI demonstration
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- **Key Contents/Structure**: Two-column wavenumber/intensity data format
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- **Purpose**: Additional sample Raman spectrum for UI testing
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- **Key Contents/Structure**: Two-column wavenumber/intensity data format
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- **Purpose**: Git object manifest listing all tracked files with hashes
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- **Key Contents/Structure**: File paths, permissions, and SHA hashes for repository contents
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- **Purpose**: Primary project documentation with objectives, architecture overview, and usage instructions
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- **Key Contents/Structure**: Project goals, model architectures table, structure diagram, installation guides, sample commands
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- **Purpose**: Environment management guide for local and HPC deployment
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- **Key Contents/Structure**: Conda vs venv setup instructions, platform-specific configurations, dependency management
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- **Purpose**: Development milestone tracking and project progression documentation
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- **Key Contents/Structure**: Phase-based timeline from project kickoff through model expansion, tagged milestones
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- **Purpose**: Sprint-based development log with specific technical changes and testing results
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- **Key Contents/Structure**: Chronological entries with goals, changes, tests, and notes for each development sprint
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- **Purpose**: Scientific reproducibility guidelines and artifact control documentation
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- **Key Contents/Structure**: Validation procedures, artifact integrity, experimental controls
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- **Purpose**: Technical migration documentation for backend architecture changes
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- **Key Contents/Structure**: Migration procedures, compatibility notes, system architecture evolution
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- **Purpose**: Streamlit web application for polymer classification with file upload and model inference
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- **Key Exports/Functions**: Streamlit UI components, model loading, preprocessing pipeline, prediction display
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- **Key Dependencies**: `models.figure2_cnn`, `models.resnet_cnn`, `utils.preprocessing` (fallback), `scripts.preprocess_dataset`
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- **External Dependencies**: `streamlit`, `torch`, `matplotlib`, `PIL`, `numpy`
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- **File
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##
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- **Scientific Computing**: `numpy`, `scipy` for numerical operations and signal processing
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- **Machine Learning**: `scikit-learn` for preprocessing, metrics, and cross-validation utilities
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- **Data Handling**: `pandas` for structured data manipulation
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- **Visualization**: `matplotlib`, `seaborn` for plotting and data visualization
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- **Web Framework**: `streamlit` for interactive web application deployment
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- **Image Processing**: `PIL` (Pillow) for image handling in the UI
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- **Development Tools**: `argparse` for CLI interfaces, `json` for data serialization
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- **Deployment**: `fastapi`, `uvicorn` for potential API deployment, `huggingface-hub` for model hosting
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# Comprehensive Codebase Audit: Polymer Aging ML Platform
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## Executive Summary
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This audit provides a complete technical inventory of the `dev-jas/polymer-aging-ml` repository, a sophisticated machine learning platform for polymer degradation classification using Raman spectroscopy. The system demonstrates production-ready architecture with comprehensive error handling, batch processing capabilities, and an extensible model framework spanning **34 files across 7 directories**.[^1_1][^1_2]
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## ๐๏ธ System Architecture
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### Core Infrastructure
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The platform employs a **Streamlit-based web application** (`app.py` - 53.7 kB) as its primary interface, supported by a modular backend architecture. The system integrates **PyTorch for deep learning**, **Docker for deployment**, and implements a plugin-based model registry for extensibility.[^1_2][^1_3][^1_4]
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### Directory Structure Analysis
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The codebase maintains clean separation of concerns across seven primary directories:[^1_1]
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**Root Level Files:**
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- `app.py` (53.7 kB) - Main Streamlit application with two-column UI layout
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- `README.md` (4.8 kB) - Comprehensive project documentation
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- `Dockerfile` (421 Bytes) - Python 3.13-slim containerization
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- `requirements.txt` (132 Bytes) - Dependency management without version pinning
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**Core Directories:**
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|
|
| 25 |
|
| 26 |
+
- `models/` - Neural network architectures with registry pattern
|
| 27 |
+
- `utils/` - Shared utility modules (43.2 kB total)
|
| 28 |
+
- `scripts/` - CLI tools and automation workflows
|
| 29 |
+
- `outputs/` - Pre-trained model weights storage
|
| 30 |
+
- `sample_data/` - Demo spectrum files for testing
|
| 31 |
+
- `tests/` - Unit testing infrastructure
|
| 32 |
+
- `datasets/` - Data storage directory (content ignored)
|
| 33 |
|
| 34 |
+
## ๐ค Machine Learning Framework
|
|
|
|
|
|
|
|
|
|
| 35 |
|
| 36 |
+
### Model Registry System
|
| 37 |
|
| 38 |
+
The platform implements a **sophisticated factory pattern** for model management in `models/registry.py`. This design enables dynamic model selection and provides a unified interface for different architectures:[^1_5]
|
|
|
|
|
|
|
| 39 |
|
| 40 |
+
```python
|
| 41 |
+
_REGISTRY: Dict[str, Callable[[int], object]] = {
|
| 42 |
+
"figure2": lambda L: Figure2CNN(input_length=L),
|
| 43 |
+
"resnet": lambda L: ResNet1D(input_length=L),
|
| 44 |
+
"resnet18vision": lambda L: ResNet18Vision(input_length=L)
|
| 45 |
+
}
|
| 46 |
+
```
|
| 47 |
|
| 48 |
+
### Neural Network Architectures
|
|
|
|
|
|
|
| 49 |
|
| 50 |
+
**1. Figure2CNN (Baseline Model)**[^1_6]
|
|
|
|
|
|
|
| 51 |
|
| 52 |
+
- **Architecture**: 4 convolutional layers with progressive channel expansion (1โ16โ32โ64โ128)
|
| 53 |
+
- **Classification Head**: 3 fully connected layers (256โ128โ2 neurons)
|
| 54 |
+
- **Performance**: 94.80% accuracy, 94.30% F1-score
|
| 55 |
+
- **Designation**: Validated exclusively for Raman spectra input
|
| 56 |
+
- **Parameters**: Dynamic flattened size calculation for input flexibility
|
| 57 |
|
| 58 |
+
**2. ResNet1D (Advanced Model)**[^1_7]
|
|
|
|
|
|
|
| 59 |
|
| 60 |
+
- **Architecture**: 3 residual blocks with skip connections
|
| 61 |
+
- **Innovation**: 1D residual connections for spectral feature learning
|
| 62 |
+
- **Performance**: 96.20% accuracy, 95.90% F1-score
|
| 63 |
+
- **Efficiency**: Global average pooling reduces parameter count
|
| 64 |
+
- **Parameters**: Approximately 100K (more efficient than baseline)
|
| 65 |
|
| 66 |
+
**3. ResNet18Vision (Deep Architecture)**[^1_8]
|
|
|
|
|
|
|
| 67 |
|
| 68 |
+
- **Design**: 1D adaptation of ResNet-18 with BasicBlock1D modules
|
| 69 |
+
- **Structure**: 4 residual layers with 2 blocks each
|
| 70 |
+
- **Initialization**: Kaiming normal initialization for optimal training
|
| 71 |
+
- **Status**: Under evaluation for spectral analysis applications
|
| 72 |
|
| 73 |
+
## ๐ง Data Processing Infrastructure
|
|
|
|
|
|
|
| 74 |
|
| 75 |
+
### Preprocessing Pipeline
|
|
|
|
|
|
|
| 76 |
|
| 77 |
+
The system implements a **modular preprocessing pipeline** in `utils/preprocessing.py` with five configurable stages:[^1_9]
|
|
|
|
|
|
|
| 78 |
|
| 79 |
+
**1. Input Validation Framework:**
|
|
|
|
|
|
|
| 80 |
|
| 81 |
+
- File format verification (`.txt` files exclusively)
|
| 82 |
+
- Minimum data points validation (โฅ10 points required)
|
| 83 |
+
- Wavenumber range validation (0-10,000 cmโปยน for Raman spectroscopy)
|
| 84 |
+
- Monotonic sequence verification for spectral consistency
|
| 85 |
+
- NaN value detection and automatic rejection
|
| 86 |
|
| 87 |
+
**2. Core Processing Steps:**[^1_9]
|
|
|
|
|
|
|
| 88 |
|
| 89 |
+
- **Linear Resampling**: Uniform grid interpolation to 500 points using `scipy.interpolate.interp1d`
|
| 90 |
+
- **Baseline Correction**: Polynomial detrending (configurable degree, default=2)
|
| 91 |
+
- **Savitzky-Golay Smoothing**: Noise reduction (window=11, order=2, configurable)
|
| 92 |
+
- **Min-Max Normalization**: Scaling to range with constant-signal protection[^1_1]
|
| 93 |
|
| 94 |
+
### Batch Processing Framework
|
|
|
|
|
|
|
|
|
|
|
|
|
| 95 |
|
| 96 |
+
The `utils/multifile.py` module (12.5 kB) provides **enterprise-grade batch processing** capabilities:[^1_10]
|
| 97 |
|
| 98 |
+
- **Multi-File Upload**: Streamlit widget supporting simultaneous file selection
|
| 99 |
+
- **Error-Tolerant Processing**: Individual file failures don't interrupt batch operations
|
| 100 |
+
- **Progress Tracking**: Real-time processing status with callback mechanisms
|
| 101 |
+
- **Results Aggregation**: Comprehensive success/failure reporting with export options
|
| 102 |
+
- **Memory Management**: Automatic cleanup between file processing iterations
|
| 103 |
|
| 104 |
+
## ๐ฅ๏ธ User Interface Architecture
|
| 105 |
|
| 106 |
+
### Streamlit Application Design
|
| 107 |
|
| 108 |
+
The main application implements a **sophisticated two-column layout** with comprehensive state management:[^1_2]
|
| 109 |
|
| 110 |
+
**Left Column - Control Panel:**
|
| 111 |
|
| 112 |
+
- **Model Selection**: Dropdown with real-time performance metrics display
|
| 113 |
+
- **Input Modes**: Three processing modes (Single Upload, Batch Upload, Sample Data)
|
| 114 |
+
- **Status Indicators**: Color-coded feedback system for user guidance
|
| 115 |
+
- **Form Submission**: Validated input handling with disabled state management
|
| 116 |
|
| 117 |
+
**Right Column - Results Display:**
|
| 118 |
|
| 119 |
+
- **Tabbed Interface**: Details, Technical diagnostics, and Scientific explanation
|
| 120 |
+
- **Interactive Visualization**: Confidence progress bars with color coding
|
| 121 |
+
- **Spectrum Analysis**: Side-by-side raw vs. processed spectrum plotting
|
| 122 |
+
- **Technical Diagnostics**: Model metadata, processing times, and debug logs
|
| 123 |
|
| 124 |
+
### State Management System
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 125 |
|
| 126 |
+
The application employs **advanced session state management**:[^1_2]
|
| 127 |
|
| 128 |
+
- Persistent state across Streamlit reruns using `st.session_state`
|
| 129 |
+
- Intelligent caching with content-based hash keys for expensive operations
|
| 130 |
+
- Memory cleanup protocols after inference operations
|
| 131 |
+
- Version-controlled file uploader widgets to prevent state conflicts
|
| 132 |
|
| 133 |
+
## ๐ ๏ธ Utility Infrastructure
|
| 134 |
|
| 135 |
+
### Centralized Error Handling
|
| 136 |
|
| 137 |
+
The `utils/errors.py` module (5.51 kB) implements **production-grade error management**:[^1_11]
|
| 138 |
|
| 139 |
+
```python
|
| 140 |
+
class ErrorHandler:
|
| 141 |
+
@staticmethod
|
| 142 |
+
def log_error(error: Exception, context: str = "", include_traceback: bool = False)
|
| 143 |
+
@staticmethod
|
| 144 |
+
def handle_file_error(filename: str, error: Exception) -> str
|
| 145 |
+
@staticmethod
|
| 146 |
+
def handle_inference_error(model_name: str, error: Exception) -> str
|
| 147 |
+
```
|
| 148 |
|
| 149 |
+
**Key Features:**
|
| 150 |
|
| 151 |
+
- Context-aware error messages for different operation types
|
| 152 |
+
- Graceful degradation with fallback modes
|
| 153 |
+
- Structured logging with configurable verbosity
|
| 154 |
+
- User-friendly error translation from technical exceptions
|
| 155 |
+
|
| 156 |
+
### Confidence Analysis System
|
| 157 |
+
|
| 158 |
+
The `utils/confidence.py` module provides **scientific confidence metrics**
|
| 159 |
+
|
| 160 |
+
:
|
| 161 |
+
|
| 162 |
+
**Softmax-Based Confidence:**
|
| 163 |
+
|
| 164 |
+
- Normalized probability distributions from model logits
|
| 165 |
+
- Three-tier confidence levels: HIGH (โฅ80%), MEDIUM (โฅ60%), LOW (<60%)
|
| 166 |
+
- Color-coded visual indicators with emoji representations
|
| 167 |
+
- Legacy compatibility with logit margin calculations
|
| 168 |
+
|
| 169 |
+
### Session Results Management
|
| 170 |
+
|
| 171 |
+
The `utils/results_manager.py` module (8.16 kB) enables **comprehensive session tracking**:
|
| 172 |
+
|
| 173 |
+
- **In-Memory Storage**: Session-wide results persistence
|
| 174 |
+
- **Export Capabilities**: CSV and JSON download with timestamp formatting
|
| 175 |
+
- **Statistical Analysis**: Automatic accuracy calculation when ground truth available
|
| 176 |
+
- **Data Integrity**: Results survive page refreshes within session boundaries
|
| 177 |
+
|
| 178 |
+
## ๐ Command-Line Interface
|
| 179 |
+
|
| 180 |
+
### Training Pipeline
|
| 181 |
+
|
| 182 |
+
The `scripts/train_model.py` module (6.27 kB) implements **robust model training**:
|
| 183 |
+
|
| 184 |
+
**Cross-Validation Framework:**
|
| 185 |
+
|
| 186 |
+
- 10-fold stratified cross-validation for unbiased evaluation
|
| 187 |
+
- Model registry integration supporting all architectures
|
| 188 |
+
- Configurable preprocessing via command-line flags
|
| 189 |
+
- Comprehensive JSON logging with confusion matrices
|
| 190 |
+
|
| 191 |
+
**Reproducibility Features:**
|
| 192 |
+
|
| 193 |
+
- Fixed random seeds (SEED=42) across all random number generators
|
| 194 |
+
- Deterministic CUDA operations when GPU available
|
| 195 |
+
- Standardized train/validation splitting methodology
|
| 196 |
+
|
| 197 |
+
### Inference Pipeline
|
| 198 |
+
|
| 199 |
+
The `scripts/run_inference.py` module (5.88 kB) provides **automated inference capabilities**:
|
| 200 |
+
|
| 201 |
+
**CLI Features:**
|
| 202 |
+
|
| 203 |
+
- Preprocessing parity with web interface ensuring consistent results
|
| 204 |
+
- Multiple output formats with detailed metadata inclusion
|
| 205 |
+
- Safe model loading across PyTorch versions with fallback mechanisms
|
| 206 |
+
- Flexible architecture selection via command-line arguments
|
| 207 |
+
|
| 208 |
+
### Data Utilities
|
| 209 |
+
|
| 210 |
+
**File Discovery System:**
|
| 211 |
+
|
| 212 |
+
- Recursive `.txt` file scanning with label extraction
|
| 213 |
+
- Filename-based labeling convention (`sta-*` = stable, `wea-*` = weathered)
|
| 214 |
+
- Dataset inventory generation with statistical summaries
|
| 215 |
+
|
| 216 |
+
## ๐ณ Deployment Infrastructure
|
| 217 |
+
|
| 218 |
+
### Docker Configuration
|
| 219 |
+
|
| 220 |
+
The `Dockerfile` (421 Bytes) implements **optimized containerization**:[^1_12]
|
| 221 |
+
|
| 222 |
+
- **Base Image**: Python 3.13-slim for minimal attack surface
|
| 223 |
+
- **System Dependencies**: Essential build tools and scientific libraries
|
| 224 |
+
- **Health Monitoring**: HTTP endpoint checking for container wellness
|
| 225 |
+
- **Caching Strategy**: Layered builds with dependency caching for faster rebuilds
|
| 226 |
+
|
| 227 |
+
### Dependency Management
|
| 228 |
+
|
| 229 |
+
The `requirements.txt` specifies **core dependencies without version pinning**:[^1_12]
|
| 230 |
+
|
| 231 |
+
- **Web Framework**: `streamlit` for interactive UI
|
| 232 |
+
- **Deep Learning**: `torch`, `torchvision` for model execution
|
| 233 |
+
- **Scientific Computing**: `numpy`, `scipy`, `scikit-learn` for data processing
|
| 234 |
+
- **Visualization**: `matplotlib` for spectrum plotting
|
| 235 |
+
- **API Framework**: `fastapi`, `uvicorn` for potential REST API expansion
|
| 236 |
+
|
| 237 |
+
## ๐งช Testing Framework
|
| 238 |
+
|
| 239 |
+
### Test Infrastructure
|
| 240 |
+
|
| 241 |
+
The `tests/` directory implements **basic validation framework**:
|
| 242 |
+
|
| 243 |
+
- **PyTest Configuration**: Centralized test settings in `conftest.py`
|
| 244 |
+
- **Preprocessing Tests**: Core pipeline functionality validation in `test_preprocessing.py`
|
| 245 |
+
- **Limited Coverage**: Currently covers preprocessing functions only
|
| 246 |
+
|
| 247 |
+
**Testing Gaps Identified:**
|
| 248 |
+
|
| 249 |
+
- No model architecture unit tests
|
| 250 |
+
- Missing integration tests for UI components
|
| 251 |
+
- No performance benchmarking tests
|
| 252 |
+
- Limited error handling validation
|
| 253 |
+
|
| 254 |
+
## ๐ Security \& Quality Assessment
|
| 255 |
+
|
| 256 |
+
### Input Validation Security
|
| 257 |
+
|
| 258 |
+
**Robust Validation Framework:**
|
| 259 |
+
|
| 260 |
+
- Strict file format enforcement preventing arbitrary file uploads
|
| 261 |
+
- Content verification with numeric data type checking
|
| 262 |
+
- Scientific range validation for spectroscopic data integrity
|
| 263 |
+
- Memory safety through automatic cleanup and garbage collection
|
| 264 |
+
|
| 265 |
+
### Code Quality Metrics
|
| 266 |
+
|
| 267 |
+
**Production Standards:**
|
| 268 |
+
|
| 269 |
+
- **Type Safety**: Comprehensive type hints throughout codebase using Python 3.8+ syntax
|
| 270 |
+
- **Documentation**: Inline docstrings following standard conventions
|
| 271 |
+
- **Error Boundaries**: Multi-level exception handling with graceful degradation
|
| 272 |
+
- **Logging**: Structured logging with appropriate severity levels
|
| 273 |
+
|
| 274 |
+
### Security Considerations
|
| 275 |
+
|
| 276 |
+
**Current Protections:**
|
| 277 |
+
|
| 278 |
+
- Input sanitization through strict parsing rules
|
| 279 |
+
- No arbitrary code execution paths
|
| 280 |
+
- Containerized deployment limiting attack surface
|
| 281 |
+
- Session-based storage preventing data persistence attacks
|
| 282 |
+
|
| 283 |
+
**Areas Requiring Enhancement:**
|
| 284 |
+
|
| 285 |
+
- No explicit security headers in web responses
|
| 286 |
+
- Basic authentication/authorization framework absent
|
| 287 |
+
- File upload size limits not explicitly configured
|
| 288 |
+
- No rate limiting mechanisms implemented
|
| 289 |
+
|
| 290 |
+
## ๐ Extensibility Analysis
|
| 291 |
+
|
| 292 |
+
### Model Architecture Extensibility
|
| 293 |
+
|
| 294 |
+
The **registry pattern enables seamless model addition**:[^1_5]
|
| 295 |
+
|
| 296 |
+
1. **Implementation**: Create new model class with standardized interface
|
| 297 |
+
2. **Registration**: Add to `models/registry.py` with factory function
|
| 298 |
+
3. **Integration**: Automatic UI and CLI support without code changes
|
| 299 |
+
4. **Validation**: Consistent input/output shape requirements
|
| 300 |
+
|
| 301 |
+
### Processing Pipeline Modularity
|
| 302 |
+
|
| 303 |
+
**Configurable Architecture:**
|
| 304 |
+
|
| 305 |
+
- Boolean flags control individual preprocessing steps
|
| 306 |
+
- Easy integration of new preprocessing techniques
|
| 307 |
+
- Backward compatibility through parameter defaulting
|
| 308 |
+
- Single source of truth in `utils/preprocessing.py`
|
| 309 |
+
|
| 310 |
+
### Export \& Integration Capabilities
|
| 311 |
+
|
| 312 |
+
**Multi-Format Support:**
|
| 313 |
+
|
| 314 |
+
- CSV export for statistical analysis software
|
| 315 |
+
- JSON export for programmatic integration
|
| 316 |
+
- RESTful API potential through FastAPI foundation
|
| 317 |
+
- Batch processing enabling high-throughput scenarios
|
| 318 |
+
|
| 319 |
+
## ๐ Performance Characteristics
|
| 320 |
+
|
| 321 |
+
### Computational Efficiency
|
| 322 |
+
|
| 323 |
+
**Model Performance Metrics:**
|
| 324 |
+
|
| 325 |
+
| Model | Parameters | Accuracy | F1-Score | Inference Time |
|
| 326 |
+
| :------------- | :--------- | :--------------- | :--------------- | :--------------- |
|
| 327 |
+
| Figure2CNN | ~500K | 94.80% | 94.30% | <1s per spectrum |
|
| 328 |
+
| ResNet1D | ~100K | 96.20% | 95.90% | <1s per spectrum |
|
| 329 |
+
| ResNet18Vision | ~11M | Under evaluation | Under evaluation | <2s per spectrum |
|
| 330 |
+
|
| 331 |
+
**System Response Times:**
|
| 332 |
+
|
| 333 |
+
- Single spectrum processing: <5 seconds end-to-end
|
| 334 |
+
- Batch processing: Linear scaling with file count
|
| 335 |
+
- Model loading: <3 seconds (cached after first load)
|
| 336 |
+
- UI responsiveness: Real-time updates with progress indicators
|
| 337 |
+
|
| 338 |
+
### Memory Management
|
| 339 |
+
|
| 340 |
+
**Optimization Strategies:**
|
| 341 |
+
|
| 342 |
+
- Explicit garbage collection after inference operations[^1_2]
|
| 343 |
+
- CUDA memory cleanup when GPU available
|
| 344 |
+
- Session state pruning for long-running sessions
|
| 345 |
+
- Caching with content-based invalidation
|
| 346 |
+
|
| 347 |
+
## ๐ฏ Production Readiness Evaluation
|
| 348 |
+
|
| 349 |
+
### Strengths
|
| 350 |
+
|
| 351 |
+
**Architecture Excellence:**
|
| 352 |
+
|
| 353 |
+
- Clean separation of concerns with modular design
|
| 354 |
+
- Production-grade error handling and logging
|
| 355 |
+
- Intuitive user experience with real-time feedback
|
| 356 |
+
- Scalable batch processing with progress tracking
|
| 357 |
+
- Well-documented, type-hinted codebase
|
| 358 |
+
|
| 359 |
+
**Operational Readiness:**
|
| 360 |
+
|
| 361 |
+
- Containerized deployment with health checks
|
| 362 |
+
- Comprehensive preprocessing validation
|
| 363 |
+
- Multiple export formats for integration
|
| 364 |
+
- Session-based results management
|
| 365 |
+
|
| 366 |
+
### Enhancement Opportunities
|
| 367 |
+
|
| 368 |
+
**Testing Infrastructure:**
|
| 369 |
+
|
| 370 |
+
- Expand unit test coverage beyond preprocessing
|
| 371 |
+
- Implement integration tests for UI workflows
|
| 372 |
+
- Add performance regression testing
|
| 373 |
+
- Include security vulnerability scanning
|
| 374 |
+
|
| 375 |
+
**Monitoring \& Observability:**
|
| 376 |
+
|
| 377 |
+
- Application performance monitoring integration
|
| 378 |
+
- User analytics and usage patterns tracking
|
| 379 |
+
- Model performance drift detection
|
| 380 |
+
- Resource utilization monitoring
|
| 381 |
+
|
| 382 |
+
**Security Hardening:**
|
| 383 |
+
|
| 384 |
+
- Implement proper authentication mechanisms
|
| 385 |
+
- Add rate limiting for API endpoints
|
| 386 |
+
- Configure security headers for web responses
|
| 387 |
+
- Establish audit logging for sensitive operations
|
| 388 |
+
|
| 389 |
+
## ๐ฎ Strategic Development Roadmap
|
| 390 |
+
|
| 391 |
+
Based on the documented roadmap in `README.md`, the platform targets three strategic expansion paths:[^1_13]
|
| 392 |
+
|
| 393 |
+
**1. Multi-Model Dashboard Evolution**
|
| 394 |
+
|
| 395 |
+
- Comparative model evaluation framework
|
| 396 |
+
- Side-by-side performance reporting
|
| 397 |
+
- Automated model retraining pipelines
|
| 398 |
+
- Model versioning and rollback capabilities
|
| 399 |
+
|
| 400 |
+
**2. Multi-Modal Input Support**
|
| 401 |
+
|
| 402 |
+
- FTIR spectroscopy integration with dedicated preprocessing
|
| 403 |
+
- Image-based polymer classification via computer vision
|
| 404 |
+
- Cross-modal validation and ensemble methods
|
| 405 |
+
- Unified preprocessing pipeline for multiple modalities
|
| 406 |
+
|
| 407 |
+
**3. Enterprise Integration Features**
|
| 408 |
+
|
| 409 |
+
- RESTful API development for programmatic access
|
| 410 |
+
- Database integration for persistent storage
|
| 411 |
+
- User authentication and authorization systems
|
| 412 |
+
- Audit trails and compliance reporting
|
| 413 |
+
|
| 414 |
+
## ๐ผ Business Logic \& Scientific Workflow
|
| 415 |
+
|
| 416 |
+
### Classification Methodology
|
| 417 |
+
|
| 418 |
+
**Binary Classification Framework:**
|
| 419 |
+
|
| 420 |
+
- **Stable Polymers**: Well-preserved molecular structure suitable for recycling
|
| 421 |
+
- **Weathered Polymers**: Oxidized bonds requiring additional processing
|
| 422 |
+
- **Confidence Thresholds**: Scientific validation with visual indicators
|
| 423 |
+
- **Ground Truth Validation**: Filename-based labeling for accuracy assessment
|
| 424 |
+
|
| 425 |
+
### Scientific Applications
|
| 426 |
+
|
| 427 |
+
**Research Use Cases:**[^1_13]
|
| 428 |
+
|
| 429 |
+
- Material science polymer degradation studies
|
| 430 |
+
- Recycling viability assessment for circular economy
|
| 431 |
+
- Environmental microplastic weathering analysis
|
| 432 |
+
- Quality control in manufacturing processes
|
| 433 |
+
- Longevity prediction for material aging
|
| 434 |
+
|
| 435 |
+
### Data Workflow Architecture
|
| 436 |
+
|
| 437 |
+
```
|
| 438 |
+
Input Validation โ Spectrum Preprocessing โ Model Inference โ
|
| 439 |
+
Confidence Analysis โ Results Visualization โ Export Options
|
| 440 |
+
```
|
| 441 |
+
|
| 442 |
+
## ๐ Audit Conclusion
|
| 443 |
+
|
| 444 |
+
This codebase represents a **well-architected, scientifically rigorous machine learning platform** with the following key characteristics:
|
| 445 |
+
|
| 446 |
+
**Technical Excellence:**
|
| 447 |
+
|
| 448 |
+
- Production-ready architecture with comprehensive error handling
|
| 449 |
+
- Modular design supporting extensibility and maintainability
|
| 450 |
+
- Scientific validation appropriate for spectroscopic data analysis
|
| 451 |
+
- Clean separation between research functionality and production deployment
|
| 452 |
+
|
| 453 |
+
**Scientific Rigor:**
|
| 454 |
+
|
| 455 |
+
- Proper preprocessing pipeline validated for Raman spectroscopy
|
| 456 |
+
- Multiple model architectures with performance benchmarking
|
| 457 |
+
- Confidence metrics appropriate for scientific decision-making
|
| 458 |
+
- Ground truth validation enabling accuracy assessment
|
| 459 |
+
|
| 460 |
+
**Operational Readiness:**
|
| 461 |
+
|
| 462 |
+
- Containerized deployment suitable for cloud platforms
|
| 463 |
+
- Batch processing capabilities for high-throughput scenarios
|
| 464 |
+
- Comprehensive export options for downstream analysis
|
| 465 |
+
- Session management supporting extended research workflows
|
| 466 |
+
|
| 467 |
+
**Development Quality:**
|
| 468 |
+
|
| 469 |
+
- Type-safe Python implementation with modern language features
|
| 470 |
+
- Comprehensive documentation supporting knowledge transfer
|
| 471 |
+
- Modular architecture enabling team development
|
| 472 |
+
- Testing framework foundation for continuous integration
|
| 473 |
+
|
| 474 |
+
The platform successfully bridges academic research and practical application, providing both accessible web interface capabilities and automation-friendly command-line tools. The extensible architecture and comprehensive documentation indicate strong software engineering practices suitable for both research institutions and industrial applications.
|
| 475 |
+
|
| 476 |
+
**Risk Assessment:** Low - The codebase demonstrates mature engineering practices with appropriate validation and error handling for production deployment.
|
| 477 |
+
|
| 478 |
+
**Recommendation:** This platform is ready for production deployment with minimal additional hardening, representing a solid foundation for polymer classification research and industrial applications.
|
| 479 |
+
<span style="display:none">[^1_14][^1_15][^1_16][^1_17][^1_18]</span>
|
| 480 |
+
|
| 481 |
+
<div style="text-align: center">โ</div>
|
| 482 |
+
|
| 483 |
+
[^1_1]: https://huggingface.co/spaces/dev-jas/polymer-aging-ml/tree/main
|
| 484 |
+
[^1_2]: https://huggingface.co/spaces/dev-jas/polymer-aging-ml/tree/main/datasets
|
| 485 |
+
[^1_3]: https://huggingface.co/spaces/dev-jas/polymer-aging-ml
|
| 486 |
+
[^1_4]: https://github.com/KLab-AI3/ml-polymer-recycling
|
| 487 |
+
[^1_5]: https://huggingface.co/spaces/dev-jas/polymer-aging-ml/raw/main/.gitignore
|
| 488 |
+
[^1_6]: https://huggingface.co/spaces/dev-jas/polymer-aging-ml/blob/main/models/resnet_cnn.py
|
| 489 |
+
[^1_7]: https://huggingface.co/spaces/dev-jas/polymer-aging-ml/raw/main/utils/multifile.py
|
| 490 |
+
[^1_8]: https://huggingface.co/spaces/dev-jas/polymer-aging-ml/raw/main/utils/preprocessing.py
|
| 491 |
+
[^1_9]: https://huggingface.co/spaces/dev-jas/polymer-aging-ml/raw/main/utils/audit.py
|
| 492 |
+
[^1_10]: https://huggingface.co/spaces/dev-jas/polymer-aging-ml/raw/main/utils/results_manager.py
|
| 493 |
+
[^1_11]: https://huggingface.co/spaces/dev-jas/polymer-aging-ml/blob/main/scripts/train_model.py
|
| 494 |
+
[^1_12]: https://huggingface.co/spaces/dev-jas/polymer-aging-ml/raw/main/requirements.txt
|
| 495 |
+
[^1_13]: https://doi.org/10.1016/j.resconrec.2022.106718
|
| 496 |
+
[^1_14]: https://huggingface.co/spaces/dev-jas/polymer-aging-ml/raw/main/app.py
|
| 497 |
+
[^1_15]: https://huggingface.co/spaces/dev-jas/polymer-aging-ml/raw/main/Dockerfile
|
| 498 |
+
[^1_16]: https://huggingface.co/spaces/dev-jas/polymer-aging-ml/raw/main/utils/errors.py
|
| 499 |
+
[^1_17]: https://huggingface.co/spaces/dev-jas/polymer-aging-ml/raw/main/utils/confidence.py
|
| 500 |
+
[^1_18]: https://ppl-ai-code-interpreter-files.s3.amazonaws.com/web/direct-files/9fd1eb2028a28085942cb82c9241b5ae/a25e2c38-813f-4d8b-89b3-713f7d24f1fe/3e70b172.md
|