williamratcliff commited on
Commit ·
a5e83e1
1
Parent(s): eb24720
Document aggregate prior release
Browse files- README.md +8 -0
- metadata/ARTIFACT_PLAN.md +3 -0
- metadata/MANIFEST.csv +3 -0
- metadata/croissant_rai.jsonld +38 -7
- metadata/dataset_manifest.csv +4 -4
- reviewer_subset/ext_group_priors.csv +100 -100
- reviewer_subset/ext_group_priors.json +304 -299
- reviewer_subset/rruff325_precomputed_inference.json +5 -3
README.md
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@@ -22,6 +22,7 @@ The intended dataset repo contains:
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- the frozen `RRUFF-473` benchmark payload
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- the frozen `RRUFF-325` benchmark payload
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- a small reviewer subset with compact precomputed inference outputs
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- manifests and metadata needed to reproduce the benchmark definition
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It does **not** contain:
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@@ -29,6 +30,7 @@ It does **not** contain:
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- training code
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- the broader PRX archival release
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- model checkpoints
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## Why these benchmarks exist
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@@ -47,6 +49,12 @@ These datasets are intended for:
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- hierarchy-aware rescoring of model predictions
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- benchmarking Top-k, prior-baseline, and stratified evaluation claims
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They are not intended as general-purpose training corpora.
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## Croissant metadata
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- the frozen `RRUFF-473` benchmark payload
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- the frozen `RRUFF-325` benchmark payload
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- a small reviewer subset with compact precomputed inference outputs
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+
- a compact aggregate extinction-group prior for calibration
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- manifests and metadata needed to reproduce the benchmark definition
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It does **not** contain:
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- training code
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- the broader PRX archival release
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- model checkpoints
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+
- raw ICSD structures, raw diffraction records, or large synthetic training corpora
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## Why these benchmarks exist
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- hierarchy-aware rescoring of model predictions
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- benchmarking Top-k, prior-baseline, and stratified evaluation claims
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+
The reviewer prior files contain only rounded aggregate extinction-group
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probabilities/log-priors and seen-class flags. They do not contain raw ICSD
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structures, formulas, atomic coordinates, raw diffraction records, or
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per-structure records. The larger trainready corpus used to derive that
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aggregate prior is not redistributed.
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+
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They are not intended as general-purpose training corpora.
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## Croissant metadata
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metadata/ARTIFACT_PLAN.md
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@@ -5,9 +5,12 @@ Candidate contents:
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- frozen `RRUFF-325` benchmark files
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- benchmark ID lists / checksums
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- reviewer subset matching the GitHub reviewer docs
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- dataset card text
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Candidate exclusions:
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- files already kept only for the PRX archival release
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- large unrelated training corpora
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- private intermediate curation outputs
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- frozen `RRUFF-325` benchmark files
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- benchmark ID lists / checksums
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- reviewer subset matching the GitHub reviewer docs
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+
- compact aggregate extinction-group prior used for calibration
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- dataset card text
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Candidate exclusions:
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- files already kept only for the PRX archival release
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- large unrelated training corpora
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+
- raw ICSD structures, raw diffraction records, and per-structure synthetic
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training records
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- private intermediate curation outputs
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metadata/MANIFEST.csv
CHANGED
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@@ -58,3 +58,6 @@ src/paper_ai_diffraction/core/rt_model.py,source,Regular Transformer (RT) model
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notebooks/provenance/supplemental_rt_inference.ipynb,notebook,Supplemental RT batch inference — runs an RT checkpoint against a RRUFF benchmark HDF5 and reports top-1/3/5 accuracy (tab:real_ablation),adapted,,
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notebooks/provenance/supplemental_rt_cross_test.ipynb,notebook,Supplemental RT 4x4 training-distribution cross-test (tab:rt_distribution),adapted,,
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notebooks/provenance/supplemental_rt_attention.ipynb,notebook,Supplemental RT attention overlay with HKL annotations (fig:rt_attention),adapted,,
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notebooks/provenance/supplemental_rt_inference.ipynb,notebook,Supplemental RT batch inference — runs an RT checkpoint against a RRUFF benchmark HDF5 and reports top-1/3/5 accuracy (tab:real_ablation),adapted,,
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notebooks/provenance/supplemental_rt_cross_test.ipynb,notebook,Supplemental RT 4x4 training-distribution cross-test (tab:rt_distribution),adapted,,
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notebooks/provenance/supplemental_rt_attention.ipynb,notebook,Supplemental RT attention overlay with HKL annotations (fig:rt_attention),adapted,,
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reviewer_subset/ext_group_priors.json,asset,Compact aggregate extinction-group prior for calibration; rounded probabilities/log-priors and seen-class flags only; no raw ICSD structures or per-structure records,authored,,
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reviewer_subset/ext_group_priors.csv,asset,CSV form of compact aggregate extinction-group prior for calibration,authored,,
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reviewer_subset/rruff325_precomputed_inference.json,asset,Compact precomputed RRUFF-325 inference summary for reviewer inspection,authored,,
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metadata/croissant_rai.jsonld
CHANGED
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@@ -113,6 +113,36 @@
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"contentSize": "4 KiB",
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"sha256": "97264002a5867a55f884ee5093d3d4d00e624bc12d5977fe735df3410687340d"
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},
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{
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"@type": "cr:FileObject",
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"@id": "release-manifest",
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@@ -120,8 +150,8 @@
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"description": "Release-facing artifact manifest.",
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"contentUrl": "metadata/MANIFEST.csv",
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"encodingFormat": "text/csv",
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-
"contentSize": "
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-
"sha256": "
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},
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{
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"@type": "cr:FileObject",
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"description": "Dataset and external-asset manifest for the companion reproducibility surface.",
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"contentUrl": "metadata/dataset_manifest.csv",
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"encodingFormat": "text/csv",
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"contentSize": "
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"sha256": "
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}
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],
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"rai:dataCollection": "The dataset packages two frozen real powder X-ray diffraction benchmark payloads derived from curated RRUFF mineral reference patterns. RRUFF-473 retains hard real-data cases for broad robustness analysis, while RRUFF-325 is a cleaner downstream subset for controlled calibration and error-structure analysis. The release also includes a compact reviewer subset, precomputed inference artifacts, and manifests documenting the benchmark definition.",
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"rai:dataCollectionType": [
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"Secondary Data analysis",
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"Manual Human Curator",
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"Physical data collection"
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],
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"rai:dataCollectionRawData": "The raw experimental PXRD records originate from RRUFF mineral powder diffraction measurements. The released benchmark payloads are derived evaluation artifacts and
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"rai:dataPreprocessingProtocol": [
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"Patterns were converted into fixed evaluation HDF5 payloads with normalized intensity arrays and benchmark labels.",
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"Benchmark membership was frozen using documented curation rules, including quality strata and extinction-group labels.",
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"RRUFF-325 was derived as the cleaner usable/recoverable subset from the broader RRUFF-473 benchmark surface.",
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"Reviewer subset CSV and JSON files were exported as compact examples plus precomputed inference summaries."
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],
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"rai:dataAnnotationProtocol": "The benchmark labels are crystallographic extinction-group labels derived from curated crystal-structure metadata and canonical extinction-group mappings. Quality strata and benchmark subset membership are fixed release metadata, not crowd annotations. No demographic or human-subject annotation labels are included.",
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"rai:machineAnnotationTools": [
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"contentSize": "4 KiB",
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"sha256": "97264002a5867a55f884ee5093d3d4d00e624bc12d5977fe735df3410687340d"
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},
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{
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"@type": "cr:FileObject",
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"@id": "aggregate-prior-json",
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"name": "ext_group_priors.json",
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"description": "Compact aggregate extinction-group prior for calibration; rounded probabilities/log-priors and seen-class flags only, with no raw ICSD structures or per-structure records.",
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"contentUrl": "reviewer_subset/ext_group_priors.json",
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"encodingFormat": "application/json",
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"contentSize": "14 KiB",
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"sha256": "7fae712e08c3afe1f8b7b0da3aa8ff249a7ca98eee576aa0187ad440afbf1520"
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},
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{
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"@type": "cr:FileObject",
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"@id": "aggregate-prior-csv",
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"name": "ext_group_priors.csv",
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"description": "CSV form of the compact aggregate extinction-group prior for calibration.",
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"contentUrl": "reviewer_subset/ext_group_priors.csv",
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"encodingFormat": "text/csv",
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"contentSize": "3 KiB",
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"sha256": "96e6509ed2f4e340c7e465df8d1942610b8de6a004f20f897c3c57a97a4bfe44"
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},
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{
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"@type": "cr:FileObject",
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"@id": "rruff325-precomputed-inference",
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"name": "rruff325_precomputed_inference.json",
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"description": "Compact precomputed RRUFF-325 inference summary for reviewer inspection.",
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"contentUrl": "reviewer_subset/rruff325_precomputed_inference.json",
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"encodingFormat": "application/json",
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"contentSize": "224 KiB",
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"sha256": "ff3d474b5ba10dda738adc295f116f517df0c0539ede39a10fb381ef58caf991"
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},
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{
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"@type": "cr:FileObject",
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"@id": "release-manifest",
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"description": "Release-facing artifact manifest.",
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"contentUrl": "metadata/MANIFEST.csv",
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"encodingFormat": "text/csv",
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"contentSize": "7 KiB",
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"sha256": "50ca5928977106643cf11221cd2ba9ab5fc1fa014e932011a15fa43604361af7"
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},
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{
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"@type": "cr:FileObject",
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"description": "Dataset and external-asset manifest for the companion reproducibility surface.",
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"contentUrl": "metadata/dataset_manifest.csv",
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"encodingFormat": "text/csv",
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"contentSize": "10 KiB",
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"sha256": "f71313941592c0cd307bac513a4ca71c378807c630d37cc922227edb469941ad"
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}
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],
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+
"rai:dataCollection": "The dataset packages two frozen real powder X-ray diffraction benchmark payloads derived from curated RRUFF mineral reference patterns. RRUFF-473 retains hard real-data cases for broad robustness analysis, while RRUFF-325 is a cleaner downstream subset for controlled calibration and error-structure analysis. The release also includes a compact reviewer subset, precomputed inference artifacts, a compact aggregate extinction-group prior for calibration, and manifests documenting the benchmark definition.",
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"rai:dataCollectionType": [
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"Secondary Data analysis",
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"Manual Human Curator",
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"Physical data collection"
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],
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+
"rai:dataCollectionRawData": "The raw experimental PXRD records originate from RRUFF mineral powder diffraction measurements. The released benchmark payloads are derived evaluation artifacts. The compact prior contains only rounded aggregate extinction-group probabilities/log-priors and seen-class flags; it does not contain raw ICSD structures, formulas, atomic coordinates, raw diffraction records, or per-structure records. The release does not include broader training corpora, the PRX archival release, or unrelated private intermediate curation outputs.",
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"rai:dataPreprocessingProtocol": [
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"Patterns were converted into fixed evaluation HDF5 payloads with normalized intensity arrays and benchmark labels.",
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"Benchmark membership was frozen using documented curation rules, including quality strata and extinction-group labels.",
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| 177 |
"RRUFF-325 was derived as the cleaner usable/recoverable subset from the broader RRUFF-473 benchmark surface.",
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| 178 |
+
"Reviewer subset CSV and JSON files were exported as compact examples plus precomputed inference summaries.",
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+
"The aggregate prior was exported as rounded extinction-group probabilities/log-priors plus seen-class flags; no raw ICSD structures or per-structure records are included."
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],
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"rai:dataAnnotationProtocol": "The benchmark labels are crystallographic extinction-group labels derived from curated crystal-structure metadata and canonical extinction-group mappings. Quality strata and benchmark subset membership are fixed release metadata, not crowd annotations. No demographic or human-subject annotation labels are included.",
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"rai:machineAnnotationTools": [
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metadata/dataset_manifest.csv
CHANGED
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logical_name,asset_class,redistributed_in_repo,expected_env_var,example_filename,expected_local_path_or_source,required_for,notes
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cnn_control_checkpoint,external_checkpoint,no,,pxrd_cnn_control_checkpoint.pt,external/checkpoints/pxrd_cnn_control_checkpoint.pt,baseline comparison,Public-facing CNN control checkpoint for the NeurIPS evaluation release; selected from the validated in-house RRUFF bs128 lineage.
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stage1_base_checkpoint,external_checkpoint,no,CHECKPOINT_PATH,xrd_model_ic6gfmvm_best.pth,external/checkpoints/xrd_model_ic6gfmvm_best.pth,training and ablation lineage,Download from external archive. This repo does not bundle checkpoints.
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stage2a_checkpoint,external_checkpoint,no,,xrd_model_h7dqlpfp_best.pth,external/checkpoints/xrd_model_h7dqlpfp_best.pth,decoder tradeoff reproduction,Named manuscript checkpoint for the Stage-2a decoder comparison.
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stage2b_checkpoint,external_checkpoint,no,,xrd_model_guvsasrs_best.pth,external/checkpoints/xrd_model_guvsasrs_best.pth,decoder tradeoff reproduction,Named manuscript checkpoint for the Stage-2b decoder comparison.
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legacy_replay_checkpoint,external_checkpoint,no,,xrd_model_wwuvp1kj_best.pth,external/checkpoints/xrd_model_wwuvp1kj_best.pth,supplementary baselines,Named supplementary replay-era baseline checkpoint.
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@@ -17,7 +17,7 @@ standard_trainready_h5,external_dataset,no,STANDARD_TRAINREADY_H5,rruff_conditio
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po_trainready_h5,external_dataset,no,PO_TRAINREADY_H5,rruff_conditioned_500k_po_v1_trainready.hdf5,/scratch/.../rruff_conditioned_500k_po_v1_trainready.hdf5,training only,External trainready dataset not redistributed in this repo.
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rruff325_h5,external_dataset,no,RRUFF_325_H5,RRUFF_usable_plus_recoverable_325_with_labels_maxnorm.hdf5,/work2/.../RRUFF_usable_plus_recoverable_325_with_labels_maxnorm.hdf5,evaluation,Primary harsh real-data benchmark. Required by `scripts/eval_rruff_325_473.sh`.
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rruff473_h5,external_dataset,no,RRUFF_473_H5,RRUFF_option1_473_with_buckets_maxnorm.hdf5,/work2/.../RRUFF_option1_473_with_buckets_maxnorm.hdf5,evaluation,Broader curated real-data benchmark. Required by `scripts/eval_rruff_325_473.sh`.
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-
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canonical_extinction_csv,external_dataset,no,CANONICAL_CSV,canonical_extinction_to_space_group.csv,/scratch/.../ai-diffraction/Code/Post_Processing/canonical_extinction_to_space_group.csv,topology figures,External canonical extinction-group table required by `scripts/make_topology_flow_figure.sh`. The validated Stampede example lived in an `ai-diffraction` checkout on scratch.
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topology_graph_json,bundled_asset,yes,GRAPH_JSON,extinction_group_adjacency.json,assets/topology/extinction_group_adjacency.json,topology figures,Bundled in this repo.
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mixed200k_failure_json,bundled_result_json,yes,MIXED200K_FAILURE_JSON,mixed200k_compare_325_failure_modes_eeru8svx.json,results/mixed200k_compare_325_failure_modes_eeru8svx.json,topology figures,Bundled compact paper result artifact.
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logical_name,asset_class,redistributed_in_repo,expected_env_var,example_filename,expected_local_path_or_source,required_for,notes
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cnn_control_checkpoint,external_checkpoint,no,,pxrd_cnn_control_checkpoint.pt,external/checkpoints/pxrd_cnn_control_checkpoint.pt,baseline comparison,Public-facing CNN control checkpoint for the NeurIPS evaluation release; selected from the validated in-house RRUFF bs128 lineage.
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+
stage1_base_checkpoint,external_checkpoint,no,CHECKPOINT_PATH,xrd_model_ic6gfmvm_best.pth,external/checkpoints/xrd_model_ic6gfmvm_best.pth,training and ablation lineage,Download from external archive. This repo does not bundle checkpoints.
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stage2a_checkpoint,external_checkpoint,no,,xrd_model_h7dqlpfp_best.pth,external/checkpoints/xrd_model_h7dqlpfp_best.pth,decoder tradeoff reproduction,Named manuscript checkpoint for the Stage-2a decoder comparison.
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stage2b_checkpoint,external_checkpoint,no,,xrd_model_guvsasrs_best.pth,external/checkpoints/xrd_model_guvsasrs_best.pth,decoder tradeoff reproduction,Named manuscript checkpoint for the Stage-2b decoder comparison.
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legacy_replay_checkpoint,external_checkpoint,no,,xrd_model_wwuvp1kj_best.pth,external/checkpoints/xrd_model_wwuvp1kj_best.pth,supplementary baselines,Named supplementary replay-era baseline checkpoint.
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po_trainready_h5,external_dataset,no,PO_TRAINREADY_H5,rruff_conditioned_500k_po_v1_trainready.hdf5,/scratch/.../rruff_conditioned_500k_po_v1_trainready.hdf5,training only,External trainready dataset not redistributed in this repo.
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rruff325_h5,external_dataset,no,RRUFF_325_H5,RRUFF_usable_plus_recoverable_325_with_labels_maxnorm.hdf5,/work2/.../RRUFF_usable_plus_recoverable_325_with_labels_maxnorm.hdf5,evaluation,Primary harsh real-data benchmark. Required by `scripts/eval_rruff_325_473.sh`.
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rruff473_h5,external_dataset,no,RRUFF_473_H5,RRUFF_option1_473_with_buckets_maxnorm.hdf5,/work2/.../RRUFF_option1_473_with_buckets_maxnorm.hdf5,evaluation,Broader curated real-data benchmark. Required by `scripts/eval_rruff_325_473.sh`.
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+
aggregate_prior_json,bundled_asset,yes,PRIOR_DATA_PATH,ext_group_priors.json,reviewer_subset/ext_group_priors.json,evaluation,Compact aggregate extinction-group prior used for calibration; rounded probabilities/log-priors and seen-class flags only; no raw ICSD structures or per-structure records.
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canonical_extinction_csv,external_dataset,no,CANONICAL_CSV,canonical_extinction_to_space_group.csv,/scratch/.../ai-diffraction/Code/Post_Processing/canonical_extinction_to_space_group.csv,topology figures,External canonical extinction-group table required by `scripts/make_topology_flow_figure.sh`. The validated Stampede example lived in an `ai-diffraction` checkout on scratch.
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topology_graph_json,bundled_asset,yes,GRAPH_JSON,extinction_group_adjacency.json,assets/topology/extinction_group_adjacency.json,topology figures,Bundled in this repo.
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mixed200k_failure_json,bundled_result_json,yes,MIXED200K_FAILURE_JSON,mixed200k_compare_325_failure_modes_eeru8svx.json,results/mixed200k_compare_325_failure_modes_eeru8svx.json,topology figures,Bundled compact paper result artifact.
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reviewer_subset/ext_group_priors.csv
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|
| 31 |
-
30,
|
| 32 |
-
31,
|
| 33 |
-
32,
|
| 34 |
-
33,
|
| 35 |
-
34,
|
| 36 |
-
35,
|
| 37 |
-
36,
|
| 38 |
-
37,
|
| 39 |
-
38,
|
| 40 |
-
39,
|
| 41 |
-
40,
|
| 42 |
-
41,
|
| 43 |
-
42,
|
| 44 |
-
43,
|
| 45 |
-
44,
|
| 46 |
-
45,
|
| 47 |
-
46,
|
| 48 |
-
47,
|
| 49 |
-
48,
|
| 50 |
-
49,
|
| 51 |
-
50,
|
| 52 |
-
51,
|
| 53 |
-
52,
|
| 54 |
-
53,
|
| 55 |
-
54,
|
| 56 |
-
55,
|
| 57 |
-
56,
|
| 58 |
-
57,
|
| 59 |
-
58,
|
| 60 |
-
59,
|
| 61 |
-
60,
|
| 62 |
-
61,
|
| 63 |
-
62,
|
| 64 |
-
63,
|
| 65 |
-
64,
|
| 66 |
-
65,
|
| 67 |
-
66,
|
| 68 |
-
67,
|
| 69 |
-
68,
|
| 70 |
-
69,
|
| 71 |
-
70,
|
| 72 |
-
71,
|
| 73 |
-
72,
|
| 74 |
-
73,
|
| 75 |
-
74,
|
| 76 |
-
75,
|
| 77 |
-
76,
|
| 78 |
-
77,
|
| 79 |
-
78,
|
| 80 |
-
79,
|
| 81 |
-
80,
|
| 82 |
-
81,
|
| 83 |
-
82,
|
| 84 |
-
83,
|
| 85 |
-
84,
|
| 86 |
-
85,
|
| 87 |
-
86,
|
| 88 |
-
87,
|
| 89 |
-
88,
|
| 90 |
-
89,
|
| 91 |
-
90,
|
| 92 |
-
91,
|
| 93 |
-
92,
|
| 94 |
-
93,
|
| 95 |
-
94,
|
| 96 |
-
95,
|
| 97 |
-
96,
|
| 98 |
-
97,
|
| 99 |
-
98,
|
| 100 |
-
99,
|
|
|
|
| 1 |
+
ext_group,probability,log_prior,seen_in_source_corpus
|
| 2 |
+
1,0.00316747,-5.754821,True
|
| 3 |
+
2,0.04389692,-3.125911,True
|
| 4 |
+
3,0.01520653,-4.18603,True
|
| 5 |
+
4,0.12278563,-2.097315,True
|
| 6 |
+
5,0.0895607,-2.412839,True
|
| 7 |
+
6,0.07884027,-2.540331,True
|
| 8 |
+
7,5.3e-07,-14.445968,False
|
| 9 |
+
8,5.3e-07,-14.445968,False
|
| 10 |
+
9,0.00080118,-7.129419,True
|
| 11 |
+
10,0.01764788,-4.037139,True
|
| 12 |
+
11,0.0031366,-5.764617,True
|
| 13 |
+
12,0.01042285,-4.563755,True
|
| 14 |
+
13,5.3e-07,-14.445968,False
|
| 15 |
+
14,0.00557954,-5.188648,True
|
| 16 |
+
15,0.00077723,-7.159776,True
|
| 17 |
+
16,0.0071899,-4.935078,True
|
| 18 |
+
17,0.09716689,-2.331325,True
|
| 19 |
+
18,0.01119263,-4.4925,True
|
| 20 |
+
19,0.00157788,-6.451673,True
|
| 21 |
+
20,5.3e-07,-14.445968,False
|
| 22 |
+
21,0.01697766,-4.075857,True
|
| 23 |
+
22,0.01857843,-3.985754,True
|
| 24 |
+
23,0.00079799,-7.133414,True
|
| 25 |
+
24,0.00317439,-5.752639,True
|
| 26 |
+
25,5.3e-07,-14.445968,False
|
| 27 |
+
26,0.00239716,-6.033469,True
|
| 28 |
+
27,5.3e-07,-14.445968,False
|
| 29 |
+
28,5.3e-07,-14.445968,False
|
| 30 |
+
29,0.0254947,-3.669285,True
|
| 31 |
+
30,0.00406448,-5.505469,True
|
| 32 |
+
31,0.00315683,-5.758188,True
|
| 33 |
+
32,0.00240196,-6.031472,True
|
| 34 |
+
33,0.00644567,-5.044346,True
|
| 35 |
+
34,0.00318291,-5.749959,True
|
| 36 |
+
35,0.00237214,-6.043961,True
|
| 37 |
+
36,5.3e-07,-14.445968,False
|
| 38 |
+
37,5.3e-07,-14.445968,False
|
| 39 |
+
38,0.00240994,-6.028153,True
|
| 40 |
+
39,0.0016242,-6.422743,True
|
| 41 |
+
40,0.00236735,-6.045983,True
|
| 42 |
+
41,0.00081822,-7.10838,True
|
| 43 |
+
42,0.00082408,-7.101249,True
|
| 44 |
+
43,5.3e-07,-14.445968,False
|
| 45 |
+
44,0.0008459,-7.075107,True
|
| 46 |
+
45,0.00486566,-5.325552,True
|
| 47 |
+
46,5.3e-07,-14.445968,False
|
| 48 |
+
47,0.00078681,-7.147523,True
|
| 49 |
+
48,5.3e-07,-14.445968,False
|
| 50 |
+
49,0.00078255,-7.15295,True
|
| 51 |
+
50,5.3e-07,-14.445968,False
|
| 52 |
+
51,0.00160716,-6.433287,True
|
| 53 |
+
52,0.00557954,-5.188648,True
|
| 54 |
+
53,0.00157841,-6.451335,True
|
| 55 |
+
54,0.00969406,-4.636241,True
|
| 56 |
+
55,0.00323189,-5.734689,True
|
| 57 |
+
56,5.3e-07,-14.445968,False
|
| 58 |
+
57,5.3e-07,-14.445968,False
|
| 59 |
+
58,0.00079533,-7.136755,True
|
| 60 |
+
59,5.3e-07,-14.445968,False
|
| 61 |
+
60,0.0031712,-5.753645,True
|
| 62 |
+
61,5.3e-07,-14.445968,False
|
| 63 |
+
62,0.00402455,-5.515341,True
|
| 64 |
+
63,0.01599068,-4.135749,True
|
| 65 |
+
64,5.3e-07,-14.445968,False
|
| 66 |
+
65,0.00240142,-6.031694,True
|
| 67 |
+
66,5.3e-07,-14.445968,False
|
| 68 |
+
67,5.3e-07,-14.445968,False
|
| 69 |
+
68,0.00649359,-5.03694,True
|
| 70 |
+
69,0.00319462,-5.746286,True
|
| 71 |
+
70,0.00242964,-6.020013,True
|
| 72 |
+
71,0.02715829,-3.606073,True
|
| 73 |
+
72,0.00311796,-5.770575,True
|
| 74 |
+
73,0.03188501,-3.445619,True
|
| 75 |
+
74,0.00484544,-5.329718,True
|
| 76 |
+
75,0.05999088,-2.813563,True
|
| 77 |
+
76,0.01690952,-4.079879,True
|
| 78 |
+
77,0.03265904,-3.421633,True
|
| 79 |
+
78,5.3e-07,-14.445968,False
|
| 80 |
+
79,5.3e-07,-14.445968,False
|
| 81 |
+
80,0.00959718,-4.646286,True
|
| 82 |
+
81,0.0016013,-6.436937,True
|
| 83 |
+
82,0.00081236,-7.115562,True
|
| 84 |
+
83,5.3e-07,-14.445968,False
|
| 85 |
+
84,5.3e-07,-14.445968,False
|
| 86 |
+
85,0.00716222,-4.938936,True
|
| 87 |
+
86,0.00321113,-5.741134,True
|
| 88 |
+
87,0.00080757,-7.121478,True
|
| 89 |
+
88,5.3e-07,-14.445968,False
|
| 90 |
+
89,0.00476186,-5.347118,True
|
| 91 |
+
90,5.3e-07,-14.445968,False
|
| 92 |
+
91,0.00079852,-7.132747,True
|
| 93 |
+
92,5.3e-07,-14.445968,False
|
| 94 |
+
93,0.01607266,-4.130635,True
|
| 95 |
+
94,0.00404106,-5.511249,True
|
| 96 |
+
95,0.0016029,-6.43594,True
|
| 97 |
+
96,5.3e-07,-14.445968,False
|
| 98 |
+
97,0.01358181,-4.299024,True
|
| 99 |
+
98,5.3e-07,-14.445968,False
|
| 100 |
+
99,0.08585662,-2.455077,True
|
reviewer_subset/ext_group_priors.json
CHANGED
|
@@ -1,601 +1,606 @@
|
|
| 1 |
{
|
| 2 |
-
"
|
|
|
|
|
|
|
|
|
|
| 3 |
"smoothing": 1.0,
|
| 4 |
"num_classes": 99,
|
|
|
|
|
|
|
| 5 |
"rows": [
|
| 6 |
{
|
| 7 |
"ext_group": 1,
|
| 8 |
-
"
|
| 9 |
-
"
|
| 10 |
-
"
|
| 11 |
},
|
| 12 |
{
|
| 13 |
"ext_group": 2,
|
| 14 |
-
"
|
| 15 |
-
"
|
| 16 |
-
"
|
| 17 |
},
|
| 18 |
{
|
| 19 |
"ext_group": 3,
|
| 20 |
-
"
|
| 21 |
-
"
|
| 22 |
-
"
|
| 23 |
},
|
| 24 |
{
|
| 25 |
"ext_group": 4,
|
| 26 |
-
"
|
| 27 |
-
"
|
| 28 |
-
"
|
| 29 |
},
|
| 30 |
{
|
| 31 |
"ext_group": 5,
|
| 32 |
-
"
|
| 33 |
-
"
|
| 34 |
-
"
|
| 35 |
},
|
| 36 |
{
|
| 37 |
"ext_group": 6,
|
| 38 |
-
"
|
| 39 |
-
"
|
| 40 |
-
"
|
| 41 |
},
|
| 42 |
{
|
| 43 |
"ext_group": 7,
|
| 44 |
-
"
|
| 45 |
-
"
|
| 46 |
-
"
|
| 47 |
},
|
| 48 |
{
|
| 49 |
"ext_group": 8,
|
| 50 |
-
"
|
| 51 |
-
"
|
| 52 |
-
"
|
| 53 |
},
|
| 54 |
{
|
| 55 |
"ext_group": 9,
|
| 56 |
-
"
|
| 57 |
-
"
|
| 58 |
-
"
|
| 59 |
},
|
| 60 |
{
|
| 61 |
"ext_group": 10,
|
| 62 |
-
"
|
| 63 |
-
"
|
| 64 |
-
"
|
| 65 |
},
|
| 66 |
{
|
| 67 |
"ext_group": 11,
|
| 68 |
-
"
|
| 69 |
-
"
|
| 70 |
-
"
|
| 71 |
},
|
| 72 |
{
|
| 73 |
"ext_group": 12,
|
| 74 |
-
"
|
| 75 |
-
"
|
| 76 |
-
"
|
| 77 |
},
|
| 78 |
{
|
| 79 |
"ext_group": 13,
|
| 80 |
-
"
|
| 81 |
-
"
|
| 82 |
-
"
|
| 83 |
},
|
| 84 |
{
|
| 85 |
"ext_group": 14,
|
| 86 |
-
"
|
| 87 |
-
"
|
| 88 |
-
"
|
| 89 |
},
|
| 90 |
{
|
| 91 |
"ext_group": 15,
|
| 92 |
-
"
|
| 93 |
-
"
|
| 94 |
-
"
|
| 95 |
},
|
| 96 |
{
|
| 97 |
"ext_group": 16,
|
| 98 |
-
"
|
| 99 |
-
"
|
| 100 |
-
"
|
| 101 |
},
|
| 102 |
{
|
| 103 |
"ext_group": 17,
|
| 104 |
-
"
|
| 105 |
-
"
|
| 106 |
-
"
|
| 107 |
},
|
| 108 |
{
|
| 109 |
"ext_group": 18,
|
| 110 |
-
"
|
| 111 |
-
"
|
| 112 |
-
"
|
| 113 |
},
|
| 114 |
{
|
| 115 |
"ext_group": 19,
|
| 116 |
-
"
|
| 117 |
-
"
|
| 118 |
-
"
|
| 119 |
},
|
| 120 |
{
|
| 121 |
"ext_group": 20,
|
| 122 |
-
"
|
| 123 |
-
"
|
| 124 |
-
"
|
| 125 |
},
|
| 126 |
{
|
| 127 |
"ext_group": 21,
|
| 128 |
-
"
|
| 129 |
-
"
|
| 130 |
-
"
|
| 131 |
},
|
| 132 |
{
|
| 133 |
"ext_group": 22,
|
| 134 |
-
"
|
| 135 |
-
"
|
| 136 |
-
"
|
| 137 |
},
|
| 138 |
{
|
| 139 |
"ext_group": 23,
|
| 140 |
-
"
|
| 141 |
-
"
|
| 142 |
-
"
|
| 143 |
},
|
| 144 |
{
|
| 145 |
"ext_group": 24,
|
| 146 |
-
"
|
| 147 |
-
"
|
| 148 |
-
"
|
| 149 |
},
|
| 150 |
{
|
| 151 |
"ext_group": 25,
|
| 152 |
-
"
|
| 153 |
-
"
|
| 154 |
-
"
|
| 155 |
},
|
| 156 |
{
|
| 157 |
"ext_group": 26,
|
| 158 |
-
"
|
| 159 |
-
"
|
| 160 |
-
"
|
| 161 |
},
|
| 162 |
{
|
| 163 |
"ext_group": 27,
|
| 164 |
-
"
|
| 165 |
-
"
|
| 166 |
-
"
|
| 167 |
},
|
| 168 |
{
|
| 169 |
"ext_group": 28,
|
| 170 |
-
"
|
| 171 |
-
"
|
| 172 |
-
"
|
| 173 |
},
|
| 174 |
{
|
| 175 |
"ext_group": 29,
|
| 176 |
-
"
|
| 177 |
-
"
|
| 178 |
-
"
|
| 179 |
},
|
| 180 |
{
|
| 181 |
"ext_group": 30,
|
| 182 |
-
"
|
| 183 |
-
"
|
| 184 |
-
"
|
| 185 |
},
|
| 186 |
{
|
| 187 |
"ext_group": 31,
|
| 188 |
-
"
|
| 189 |
-
"
|
| 190 |
-
"
|
| 191 |
},
|
| 192 |
{
|
| 193 |
"ext_group": 32,
|
| 194 |
-
"
|
| 195 |
-
"
|
| 196 |
-
"
|
| 197 |
},
|
| 198 |
{
|
| 199 |
"ext_group": 33,
|
| 200 |
-
"
|
| 201 |
-
"
|
| 202 |
-
"
|
| 203 |
},
|
| 204 |
{
|
| 205 |
"ext_group": 34,
|
| 206 |
-
"
|
| 207 |
-
"
|
| 208 |
-
"
|
| 209 |
},
|
| 210 |
{
|
| 211 |
"ext_group": 35,
|
| 212 |
-
"
|
| 213 |
-
"
|
| 214 |
-
"
|
| 215 |
},
|
| 216 |
{
|
| 217 |
"ext_group": 36,
|
| 218 |
-
"
|
| 219 |
-
"
|
| 220 |
-
"
|
| 221 |
},
|
| 222 |
{
|
| 223 |
"ext_group": 37,
|
| 224 |
-
"
|
| 225 |
-
"
|
| 226 |
-
"
|
| 227 |
},
|
| 228 |
{
|
| 229 |
"ext_group": 38,
|
| 230 |
-
"
|
| 231 |
-
"
|
| 232 |
-
"
|
| 233 |
},
|
| 234 |
{
|
| 235 |
"ext_group": 39,
|
| 236 |
-
"
|
| 237 |
-
"
|
| 238 |
-
"
|
| 239 |
},
|
| 240 |
{
|
| 241 |
"ext_group": 40,
|
| 242 |
-
"
|
| 243 |
-
"
|
| 244 |
-
"
|
| 245 |
},
|
| 246 |
{
|
| 247 |
"ext_group": 41,
|
| 248 |
-
"
|
| 249 |
-
"
|
| 250 |
-
"
|
| 251 |
},
|
| 252 |
{
|
| 253 |
"ext_group": 42,
|
| 254 |
-
"
|
| 255 |
-
"
|
| 256 |
-
"
|
| 257 |
},
|
| 258 |
{
|
| 259 |
"ext_group": 43,
|
| 260 |
-
"
|
| 261 |
-
"
|
| 262 |
-
"
|
| 263 |
},
|
| 264 |
{
|
| 265 |
"ext_group": 44,
|
| 266 |
-
"
|
| 267 |
-
"
|
| 268 |
-
"
|
| 269 |
},
|
| 270 |
{
|
| 271 |
"ext_group": 45,
|
| 272 |
-
"
|
| 273 |
-
"
|
| 274 |
-
"
|
| 275 |
},
|
| 276 |
{
|
| 277 |
"ext_group": 46,
|
| 278 |
-
"
|
| 279 |
-
"
|
| 280 |
-
"
|
| 281 |
},
|
| 282 |
{
|
| 283 |
"ext_group": 47,
|
| 284 |
-
"
|
| 285 |
-
"
|
| 286 |
-
"
|
| 287 |
},
|
| 288 |
{
|
| 289 |
"ext_group": 48,
|
| 290 |
-
"
|
| 291 |
-
"
|
| 292 |
-
"
|
| 293 |
},
|
| 294 |
{
|
| 295 |
"ext_group": 49,
|
| 296 |
-
"
|
| 297 |
-
"
|
| 298 |
-
"
|
| 299 |
},
|
| 300 |
{
|
| 301 |
"ext_group": 50,
|
| 302 |
-
"
|
| 303 |
-
"
|
| 304 |
-
"
|
| 305 |
},
|
| 306 |
{
|
| 307 |
"ext_group": 51,
|
| 308 |
-
"
|
| 309 |
-
"
|
| 310 |
-
"
|
| 311 |
},
|
| 312 |
{
|
| 313 |
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|
| 593 |
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| 594 |
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|
| 595 |
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|
| 596 |
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|
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|
| 599 |
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|
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|
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|
| 605 |
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|
| 606 |
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}
|
reviewer_subset/rruff325_precomputed_inference.json
CHANGED
|
@@ -2,7 +2,6 @@
|
|
| 2 |
"checkpoint": "external/checkpoints/xrd_model_82ept35h_best.pth",
|
| 3 |
"config": "configs/final_mixed_2500k_dualsource.json",
|
| 4 |
"benchmark_h5": "external/datasets/RRUFF_usable_plus_recoverable_325_with_labels_maxnorm.hdf5",
|
| 5 |
-
"prior_h5": "external/datasets/rruff_conditioned_2346k_v1_trainready.hdf5",
|
| 6 |
"decoder": "aux_bayes",
|
| 7 |
"aux_temperature": 5.0,
|
| 8 |
"n_examples": 325,
|
|
@@ -9867,5 +9866,8 @@
|
|
| 9867 |
0.07756974548101425
|
| 9868 |
]
|
| 9869 |
}
|
| 9870 |
-
]
|
| 9871 |
-
|
|
|
|
|
|
|
|
|
|
|
|
| 2 |
"checkpoint": "external/checkpoints/xrd_model_82ept35h_best.pth",
|
| 3 |
"config": "configs/final_mixed_2500k_dualsource.json",
|
| 4 |
"benchmark_h5": "external/datasets/RRUFF_usable_plus_recoverable_325_with_labels_maxnorm.hdf5",
|
|
|
|
| 5 |
"decoder": "aux_bayes",
|
| 6 |
"aux_temperature": 5.0,
|
| 7 |
"n_examples": 325,
|
|
|
|
| 9866 |
0.07756974548101425
|
| 9867 |
]
|
| 9868 |
}
|
| 9869 |
+
],
|
| 9870 |
+
"prior_source": "reviewer_subset/ext_group_priors.json",
|
| 9871 |
+
"prior_source_provenance": "Aggregate extinction-group prior derived from rruff_conditioned_2346k_v1_trainready.hdf5; raw source corpus is not redistributed.",
|
| 9872 |
+
"internal_prior_h5_basename": "rruff_conditioned_2346k_v1_trainready.hdf5"
|
| 9873 |
+
}
|