Update README.md
Browse files
README.md
CHANGED
|
@@ -1,3 +1,55 @@
|
|
| 1 |
---
|
| 2 |
license: mit
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 3 |
---
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
---
|
| 2 |
license: mit
|
| 3 |
+
tags:
|
| 4 |
+
- chemistry
|
| 5 |
+
- raman-spectroscopy
|
| 6 |
+
- deep-learning
|
| 7 |
+
- self-supervised-learning
|
| 8 |
+
- time-series
|
| 9 |
---
|
| 10 |
+
|
| 11 |
+
# GEMS: Multi-Source Raman Spectral Dataset
|
| 12 |
+
|
| 13 |
+
This repository hosts the comprehensive, multi-domain Raman spectral datasets utilized in the **GEMS** framework.
|
| 14 |
+
|
| 15 |
+
The data is meticulously structured to support our proposed multi-stage training methodology, encompassing initial pre-training, contrastive learning, and diverse downstream fine-tuning tasks across different domains.
|
| 16 |
+
|
| 17 |
+
## Data Pre-processing & Format
|
| 18 |
+
All spectral data across the sub-directories have been uniformly pre-processed. They are **ready for direct model input** without requiring additional transformations:
|
| 19 |
+
* **Spectral Range:** 0 – 3500 cm⁻¹
|
| 20 |
+
* **Sequence Length:** Exactly 3,500 data points per spectrum.
|
| 21 |
+
* **Normalization:** Min-Max normalization has been applied to all samples.
|
| 22 |
+
* **Format:** Standard array formats ready for PyTorch/NumPy ingestion.
|
| 23 |
+
|
| 24 |
+
## Dataset Structure & Training Stages
|
| 25 |
+
|
| 26 |
+
The repository is organized into 7 distinct subsets. Each directory serves a highly specific role in the GEMS pipeline, ensuring continuous model optimization and rigorous experimental validation.
|
| 27 |
+
|
| 28 |
+
### Core Training Stages
|
| 29 |
+
|
| 30 |
+
| Directory | Stage | Primary Purpose |
|
| 31 |
+
| :--- | :--- | :--- |
|
| 32 |
+
| `QMe14S` | **Stage 1** | **Foundation Pre-training.** Used to train the initial foundational encoder. |
|
| 33 |
+
| `RRUFF_CL` | **Stage 2** | **Contrastive Learning.** Directly inherits the parameters from Stage 1 for continued training, aiming to build robust, generalized feature representations. |
|
| 34 |
+
|
| 35 |
+
### Downstream Fine-Tuning & Analytical Experiments
|
| 36 |
+
The remaining datasets leverage the pre-trained weights from Stage 2 for specific downstream applications and model evaluation:
|
| 37 |
+
|
| 38 |
+
| Directory | Experimental Focus / Task |
|
| 39 |
+
| :--- | :--- |
|
| 40 |
+
| `RRUFF_FT` | **Architecture & Hyperparameter Optimization.** Used as the benchmark to optimize the model's structural design and training configurations. |
|
| 41 |
+
| `Bacteria_ID` | **Few-Shot Learning Study.** Evaluates the model's generalization capabilities and performance stability when fine-tuned on highly limited annotated data. |
|
| 42 |
+
| `skincancer` | **Interpretability Analysis.** Investigates which specific spectral wavebands and features the deep learning model focuses on for medical diagnostics. |
|
| 43 |
+
| `Mutant_wheat` | **Downstream Fine-Tuning.** Agricultural domain classification task. |
|
| 44 |
+
| `microplastic` | **Downstream Fine-Tuning.** Environmental monitoring and material classification task. |
|
| 45 |
+
|
| 46 |
+
## Usage
|
| 47 |
+
|
| 48 |
+
You can easily download the entire dataset or specific sub-directories using the official Hugging Face CLI:
|
| 49 |
+
|
| 50 |
+
```bash
|
| 51 |
+
# Download the entire dataset
|
| 52 |
+
hf download YourUsername/YourDatasetName --repo-type dataset --local-dir ./data
|
| 53 |
+
|
| 54 |
+
# Or download a specific subset (e.g., Stage 1 Pre-training data)
|
| 55 |
+
hf download YourUsername/YourDatasetName QMe14S/* --repo-type dataset --local-dir ./data/QMe14S
|