| --- |
| license: cc-by-4.0 |
| tags: |
| - physics-informed |
| - spectroscopy |
| - infrared |
| - synthetic |
| pretty_name: PIDU simulated datasets |
| --- |
| |
| # PIDU simulated datasets |
|
|
| Simulated infrared spectra (Transfer Matrix Method, random Drude-Lorentz layer and oscillator |
| parameters) with their ground-truth parameters, used to train and test the models of |
| **Physics-infused Deep Unfolding for Automated Material Parameter Extraction of Optical Data** |
| (Koumans, Stevens, van Sloun, van Mechelen). |
|
|
| Code: https://github.com/MKoumans/PIDU · Checkpoints: [`MKoumans/pidu-optical-parameter-extraction`](https://huggingface.co/MKoumans/pidu-optical-parameter-extraction) |
|
|
| ## Contents |
|
|
| | Path | Content | |
| | --- | --- | |
| | `data/datasets/usecase1/*.npz` | Use case 1: train / val / test sets | |
| | `data/datasets/usecase2/*.npz` | Use case 2: train / val / test sets, with (`wsn`) and without (`nwsn`) the second system | |
| | `data/labels/*.xlsx` | Label mappings used during dataset generation | |
| | `outputs/case<N>/outputs/loss_{CNN,DU,PIDU}_<i>_001/` | Test exports of the trained runs (8 seeds per model; use case 2 includes `test_exp`, the predictions on the measured spectra) | |
| | `outputs/case<N>/loss/loss_{CNN,DU,PIDU}_<i>_001/` | Per-epoch train / val / test loss of those runs | |
| | `outputs/case<N>/logs/train_<TYPE>_<i>.log` | Training logs of those runs | |
| | `models/usecase<N>/<TYPE>-t01-<i>.pt` | Checkpoints of those runs (the Fig. 2 timings average over seeds) | |
| | `outputs/case<N>/outputs/loss_lma_{baseline,noisy,random}/` | TRF (LMA) baseline: use case 1 on the 1024 simulated test spectra, use case 2 on the 75 measured spectra | |
|
|
| Each `.npz` holds the clean spectra (`data_y_*`), noised spectra (`data_y_noised_*`), initial and |
| target parameters (`data_x_*`), and the wavenumber axis (`wn_*`). |
|
|
| **Not included:** the experimental SrTiO₃ measurements themselves (the predictions and fits on them are). |
|
|
| ## Usage |
|
|
| ```bash |
| pidu-hub download --usecase 1 2 # everything |
| pidu-hub download --what data logs --usecase 1 # datasets and training logs only |
| ``` |
|
|
| ## Citation |
|
|
| To be added. |
|
|
