Add files using upload-large-folder tool

.gitignore

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+# Local scratch files
+.DS_Store
+*.tmp
+*.log

README.md

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----
-license: mit
----
+---
+language: en
+license: mit
+library_name: pytorch
+tags:
+  - materials-science
+  - x-ray-diffraction
+  - crystallography
+  - evaluation
+  - neurips
+---
+
+# InformedXRD Case-Study Checkpoints
+
+This staging directory is the draft Hugging Face model card for the NeurIPS Evaluations & Datasets artifact release associated with *InformedXRD*.
+
+## Contents
+
+The intended public model repo contains only the checkpoints needed to reproduce the paper's evaluation case studies:
+
+- four ViT checkpoints used in the main ranking and calibration comparisons
+- one legacy replay-era ViT 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.
+
+## Publication plan
+
+1. Create a private Hugging Face model repo.
+2. Upload the staged checkpoints and metadata.
+3. Verify load paths against the public reproducibility manifests.
+4. Switch visibility when the review/release posture is decided.

checkpoints/pxrd_cnn_control_checkpoint.pt

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+size 7863166

checkpoints/xrd_model_82ept35h_best.pth

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+size 10642238

checkpoints/xrd_model_9rwv1qly_best.pth

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+size 10641854

checkpoints/xrd_model_cscjfdwk_best.pth

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+oid sha256:ef28488ae21b2331b2a4ecfd0036c369d9f3f8bdcdd48e1ad40ce19a386da9e9
+size 10641982

checkpoints/xrd_model_wwuvp1kj_best.pth

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+size 10641854

metadata/CHECKPOINT_PLAN.md

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+## Model Artifact Plan
+
+Candidate contents:
+- four ViT checkpoints used as NeurIPS case studies
+- one 1D residual CNN control checkpoint (`pxrd_cnn_control_checkpoint.pt`)
+- per-checkpoint role notes
+- model card text
+
+Candidate exclusions:
+- unused PRX checkpoints
+- optimizer states or broad training-history dumps unless needed
+- unrelated ablation checkpoints not discussed in the NeurIPS paper

metadata/STAGED_INVENTORY.json

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+{
+  "checkpoints": [
+    "pxrd_cnn_control_checkpoint.pt",
+    "xrd_model_82ept35h_best.pth",
+    "xrd_model_9rwv1qly_best.pth",
+    "xrd_model_cscjfdwk_best.pth",
+    "xrd_model_wwuvp1kj_best.pth"
+  ],
+  "missing_expected_candidates": []
+}