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(DOCS): refresh README to reflect mentor guidance and new project vision
Browse files- Added explicit citation for Figure2CNN baseline (Neo et al., 2023)
- Clarified that project goal is to evaluate multiple CNN architectures, not just a single baseline
- Updated objectives to highlight broader multi-modal roadmap (Raman baseline, Image expansion, FTIR deferred but modular)
- Revised Model Architectures section with clear attribution and forward-looking entries
- Improved Current Status table to show Raman validated, Image planned, and FTIR reactivation
- Strengthened strategic expansion objectives for dashboard integration, model registry, and reproducibility
README.md
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# 🔬 AI-Driven Polymer Aging Prediction and Classification System
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---
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## 🎯 Project Objective
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- Build a validated machine learning system for classifying polymer spectra (predict degradation levels as a proxy for recyclability)
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- Ensure scientific reproducibility through structured diaignostics and artifact control
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- Support sustainability and circular materials research through spectrum-based classification.
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---
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## 🧠 Model Architectures
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| `Figure2CNN` | Baseline model from literature |
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| `ResNet1D` | Deeper candidate model with skip connections |
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---
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└── environment.yml # (local) Conda execution environment
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```
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---
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| Track | Status | Test Accuracy |
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|-----------|----------------------|----------------|
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| **Raman** | ✅ Active & validated | **87.81% ± 7.59%** |
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**Note:** FTIR preprocessing scripts are preserved but inactive. Modeling work is deferred until a suitable architecture is identified.
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**Artifacts:**
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- `outputs/figure2_model.pth`
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- `outputs/resnet_model.pth`
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- `outputs/logs/raman_{model}_diagnostics.json`
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---
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## 🔬 Key Features
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**Environments:**
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```bash
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# Local
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git checkout main
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conda env create -f environment.yml
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### Training (10-Fold CV)
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```bash
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python scripts/train_model.py --model resnet --target-len 4000 --baseline --smooth --normalize
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```
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### Inference (Raman)
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```bash
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python scripts/run_inference.py --target-len 4000
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--input datasets/rdwp/sample123.txt --model outputs/resnet_model.pth
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--output outputs/inference/prediction.txt
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---
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## 🎯 Strategic Expansion Objectives
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1. **Model Expansion: Multi-Model Dashboard**
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# 🔬 AI-Driven Polymer Aging Prediction and Classification System
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A research project developed as part of AIRE 2025. This system applies deep learning to spectral data to classify polymer aging a critical proxy for recyclability using a fully reproducible and modular ML pipeline.
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The broader research vision is a multi-modal evaluation platform, benchmarking not only Raman spectra but also image-based models and FTIR spectral data, ensuring reproducibility, extensibility, and scientific rigor.
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---
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## 🎯 Project Objective
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- Build a validated machine learning system for classifying polymer spectra (predict degradation levels as a proxy for recyclability)
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- Evaluate and compare multiple CNN architectures, beginning with Figure2CNN and ResNet variants, and expand to additional trained models.
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- Ensure scientific reproducibility through structured diaignostics and artifact control
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- Support sustainability and circular materials research through spectrum-based classification.
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**Reference (for Figure2CNN baseline):**
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> Neo, E.R.K., Low, J.S.C., Goodship, V., Debattista, K. (2023).
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> Deep learning for chemometric analysis of plastic spectral data from infrared and Raman databases.
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> Resources, Conservation & Recycling, 188, 106718.
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> https://doi.org/10.1016/j.resconrec.2022.106718
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---
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## 🧠 Model Architectures
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|------|-------------|
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| `Figure2CNN` | Baseline model from literature |
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| `ResNet1D` | Deeper candidate model with skip connections |
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| `ResNet18Vision` | Image-focused CNN architecture, retrained on polymer dataset (roadmap) |
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Future expansions will add additional trained CNNs, supporting direct benchmarking and comparative reporting.
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---
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└── environment.yml # (local) Conda execution environment
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```
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---
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| Track | Status | Test Accuracy |
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|-----------|----------------------|----------------|
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| **Raman** | ✅ Active & validated | **87.81% ± 7.59%** |
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| **Image** | 🚧 Planned Expansion | N/A |
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| **FTIR** | ⏸️ Deferred/Modularized | N/A |
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## 🔬 Key Features
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**Environments:**
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```bash
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# Local
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git checkout main
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conda env create -f environment.yml
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### Training (10-Fold CV)
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```bash
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python scripts/train_model.py --model resnet --target-len 4000 --baseline --smooth --normalize
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```
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### Inference (Raman)
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```bash
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python scripts/run_inference.py --target-len 4000
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--input datasets/rdwp/sample123.txt --model outputs/resnet_model.pth
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--output outputs/inference/prediction.txt
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---
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## 🎯 Strategic Expansion Objectives (Roadmap)
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> The roadmap defines three major expansion paths designed to broaden the system’s capabilities and impact:
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1. **Model Expansion: Multi-Model Dashboard**
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