| --- |
| language: en |
| license: mit |
| library_name: pytorch |
| tags: |
| - materials-science |
| - x-ray-diffraction |
| - crystallography |
| - evaluation |
| - neurips |
| --- |
| |
| # InformedXRD Case-Study Checkpoints |
|
|
| This Hugging Face model repository hosts the NeurIPS Evaluations & Datasets artifact release checkpoints associated with *InformedXRD*. |
|
|
| ## Contents |
|
|
| This model repo contains only the checkpoints needed to reproduce the paper's evaluation case studies: |
|
|
| - four ViT case-study checkpoints total, including the final mixed champion, |
| Stage-2c and PO comparison checkpoints, and the legacy replay-era baseline |
| - one 1D residual CNN control checkpoint |
|
|
| It does **not** contain: |
|
|
| - the full companion-paper checkpoint archive |
| - training code snapshots |
| - benchmark HDF5 payloads |
|
|
| ## Recommended filenames |
|
|
| The staged CNN control checkpoint has been renamed to a neutral, paper-facing artifact name: |
|
|
| - `pxrd_cnn_control_checkpoint.pt` |
|
|
| The remaining ViT filenames are kept as-is for now because they align with the existing public checkpoint manifest and reviewer notebooks. |
|
|
| ## Intended use |
|
|
| These checkpoints are intended for: |
|
|
| - re-running the NeurIPS evaluation protocol on `RRUFF-473` and `RRUFF-325` |
| - validating the hierarchy-aware error metric |
| - validating the prior-baseline and stratified-analysis claims |
|
|
| They are not intended as generic pretrained models for production PXRD workflows. |
|
|
| ## Provenance |
|
|
| The CNN control belongs to the validated in-house Vista lineage documented in: |
|
|
| - `docs/review_notes/cnn_rruff325_identification_2026-04-29.md` in the private repo |
|
|
| The ViT checkpoints correspond to the released case-study models enumerated in the public checkpoint manifest. |
|
|
| The associated code, manifests, and reviewer notebooks live in the separate anonymous GitHub reproducibility repo: |
|
|
| - [`neurips-ai-diffraction`](https://anonymous.4open.science/r/neurips-ai-diffraction-4A5D/README.md) |
|
|
| The associated benchmark payloads live in the separate Hugging Face dataset repo: |
|
|
| - [`informedxrd/informedxrd-benchmarks`](https://huggingface.co/datasets/informedxrd/informedxrd-benchmarks) |
|
|
| ## Release Status |
|
|
| This repository is intended to be a frozen reviewer-facing artifact. Future |
| corrections, if any, should be versioned explicitly rather than silently |
| replacing the submitted checkpoints. |
|
|
