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Current Paper Release Notes

Date: 2026-06-29

This note documents the current public GitHub artifact surface for the PRX paper. The paper cites this repository as:

Current GitHub Contents

  • Flat-37 mapping assets:
    • assets/lookups/eg37_mapping_20260622.json
    • assets/lookups/eg37_mapping_20260622.csv
  • Flat-37 ViT configs:
    • configs/flat37/vit_stage1_uniform_2m_20260622.json
    • configs/flat37/vit_stage2c_rruff2346k_20260622.json
    • configs/flat37/vit_po200k_20260622.json
    • configs/flat37/vit_dualsource2346k_500kpo_20260622.json
  • Matched SG-to-EG control configs:
    • configs/flat37/sg230_categorical_control_20260624.json
    • configs/flat37/eg99_categorical_control_20260624.json
  • Matched regular-transformer configs:
    • configs/regular_transformer/rt_stage1_uniform_2m_flat37_20260624.json
    • configs/regular_transformer/rt_stage2c_rruff2346k_flat37_20260624.json
  • TACC provenance wrappers under:
    • scripts/tacc_archive/flat37/
    • scripts/tacc_archive/regular_transformer/
  • Grouped mineral-family calibration assets under:
    • results/flat37/calibration/
  • Information-channel and topology summaries under:
    • results/flat37/information_theory/
  • Summary table source:
    • results/revised_paper_summary.json

The utility that builds flat-37 targets derives each space group's canonical row from canonical_extinction_to_space_group.csv membership and checks the lookup-table symbol for consistency.

Current Paper Reference Numbers

Stage-2c flat-37 ViT, calibrated Bayesian auxiliary output at T=5:

  • RRUFF-325: Top-1/3/5 = 10.77 / 26.15 / 42.46
  • RRUFF-473: Top-1/5 = 11.84 / 49.68

Large mixed flat-37 ViT:

  • RRUFF-325: Top-1/5 = 11.69 / 43.69
  • RRUFF-473: Top-1/5 = 12.47 / 51.37

Matched regular transformer:

  • RRUFF-325: Top-1/3/5 = 10.77 / 30.15 / 43.69
  • RRUFF-473: Top-1/3/5 = 12.68 / 34.46 / 51.16

Matched SG-to-EG control:

  • raw SG space: 8.54 / 17.89 / 24.15
  • SG probabilities collapsed to EG space: 10.22 / 21.67 / 29.30
  • direct EG: 12.05 / 24.17 / 31.96

Numbers are Top-1/3/5 unless otherwise stated.

Zenodo/Public-Repo Release State

The current Zenodo package for this release is published as:

  • DOI: 10.5281/zenodo.21048093

  • Record: zenodo.org/records/21048093

  • Archive: paper_ai_diffraction_revised_20260629.tar.gz

  • It includes the final SG-to-EG JSON/CSV outputs:

    • /scratch/09870/williamratcliff/sg_eg_categorical_20260624/

  • It includes the final regular-transformer evaluation JSONs:

    • /scratch/09870/williamratcliff/rt_flat37_20260624/784439/

  • It includes the current Stage-1, PO-only, and large mixed flat-37 checkpoints named in checkpoint_manifest.csv.

  • It includes the matched regular-transformer checkpoint with its configs and compact evaluation JSONs, as the architecture-control comparison.

  • It includes benchmark_ids/rruff325_case_ids.csv and benchmark_ids/rruff473_case_ids.csv.

  • Do not include posterior .npz files in the main Zenodo package. Compact JSON summaries are sufficient for table reproduction; exact posterior audit replay would be a separate audit-companion package.

  • Reviewer notebook examples and lightweight browsing assets are tracked in the GitHub repo with the notebook support files.

WiSE-FT is not part of the current-paper final model package. If kept in the archive, it should be labeled historical or exploratory.