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  license: mit
 
 
 
 
 
 
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  license: mit
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+ tags:
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+ - chemistry
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+ - raman-spectroscopy
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+ - deep-learning
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+ - self-supervised-learning
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+ - time-series
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  ---
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+
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+ # GEMS: Multi-Source Raman Spectral Dataset
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+
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+ This repository hosts the comprehensive, multi-domain Raman spectral datasets utilized in the **GEMS** framework.
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+ 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.
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+
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+ ## Data Pre-processing & Format
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+ All spectral data across the sub-directories have been uniformly pre-processed. They are **ready for direct model input** without requiring additional transformations:
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+ * **Spectral Range:** 0 – 3500 cm⁻¹
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+ * **Sequence Length:** Exactly 3,500 data points per spectrum.
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+ * **Normalization:** Min-Max normalization has been applied to all samples.
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+ * **Format:** Standard array formats ready for PyTorch/NumPy ingestion.
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+
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+ ## Dataset Structure & Training Stages
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+
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+ 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.
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+
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+ ### Core Training Stages
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+
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+ | Directory | Stage | Primary Purpose |
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+ | :--- | :--- | :--- |
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+ | `QMe14S` | **Stage 1** | **Foundation Pre-training.** Used to train the initial foundational encoder. |
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+ | `RRUFF_CL` | **Stage 2** | **Contrastive Learning.** Directly inherits the parameters from Stage 1 for continued training, aiming to build robust, generalized feature representations. |
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+
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+ ### Downstream Fine-Tuning & Analytical Experiments
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+ The remaining datasets leverage the pre-trained weights from Stage 2 for specific downstream applications and model evaluation:
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+
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+ | Directory | Experimental Focus / Task |
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+ | :--- | :--- |
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+ | `RRUFF_FT` | **Architecture & Hyperparameter Optimization.** Used as the benchmark to optimize the model's structural design and training configurations. |
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+ | `Bacteria_ID` | **Few-Shot Learning Study.** Evaluates the model's generalization capabilities and performance stability when fine-tuned on highly limited annotated data. |
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+ | `skincancer` | **Interpretability Analysis.** Investigates which specific spectral wavebands and features the deep learning model focuses on for medical diagnostics. |
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+ | `Mutant_wheat` | **Downstream Fine-Tuning.** Agricultural domain classification task. |
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+ | `microplastic` | **Downstream Fine-Tuning.** Environmental monitoring and material classification task. |
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+
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+ ## Usage
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+
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+ You can easily download the entire dataset or specific sub-directories using the official Hugging Face CLI:
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+ ```bash
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+ # Download the entire dataset
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+ hf download YourUsername/YourDatasetName --repo-type dataset --local-dir ./data
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+
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+ # Or download a specific subset (e.g., Stage 1 Pre-training data)
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+ hf download YourUsername/YourDatasetName QMe14S/* --repo-type dataset --local-dir ./data/QMe14S