Archive 4 checkpoints (1-4)
Browse files- .gitattributes +2 -0
- paper-releases/pbisc-diffusion/updates/20261003T105229Z-deck-cross-cohort-loco-k1000/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/PBISC-Diffusion_paper_summary_20260930.pdf +3 -0
- paper-releases/pbisc-diffusion/updates/20261003T105229Z-deck-cross-cohort-loco-k1000/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/PBISC-Diffusion_paper_summary_20260930.pptx +3 -0
- paper-releases/pbisc-diffusion/updates/20261003T105229Z-deck-cross-cohort-loco-k1000/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/README.md +113 -0
- paper-releases/pbisc-diffusion/updates/20261003T105229Z-deck-cross-cohort-loco-k1000/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/sec08_cross_cohort.py +259 -0
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paper-releases/pbisc-diffusion/updates/20261002T085943Z-deck-restructure-contrast-metrics-zeroshot-len/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/PBISC-Diffusion_paper_summary_20260930.pdf filter=lfs diff=lfs merge=lfs -text
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paper-releases/pbisc-diffusion/updates/20261002T085943Z-deck-restructure-contrast-metrics-zeroshot-len/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/PBISC-Diffusion_paper_summary_20260930.pptx filter=lfs diff=lfs merge=lfs -text
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paper-releases/pbisc-diffusion/updates/20261002T085943Z-deck-restructure-contrast-metrics-zeroshot-len/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/figures/sec01_slide_a.pdf filter=lfs diff=lfs merge=lfs -text
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paper-releases/pbisc-diffusion/updates/20261002T085943Z-deck-restructure-contrast-metrics-zeroshot-len/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/PBISC-Diffusion_paper_summary_20260930.pdf filter=lfs diff=lfs merge=lfs -text
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paper-releases/pbisc-diffusion/updates/20261002T085943Z-deck-restructure-contrast-metrics-zeroshot-len/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/PBISC-Diffusion_paper_summary_20260930.pptx filter=lfs diff=lfs merge=lfs -text
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paper-releases/pbisc-diffusion/updates/20261002T085943Z-deck-restructure-contrast-metrics-zeroshot-len/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/figures/sec01_slide_a.pdf filter=lfs diff=lfs merge=lfs -text
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paper-releases/pbisc-diffusion/updates/20261003T105229Z-deck-cross-cohort-loco-k1000/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/PBISC-Diffusion_paper_summary_20260930.pdf filter=lfs diff=lfs merge=lfs -text
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paper-releases/pbisc-diffusion/updates/20261003T105229Z-deck-cross-cohort-loco-k1000/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/PBISC-Diffusion_paper_summary_20260930.pptx filter=lfs diff=lfs merge=lfs -text
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paper-releases/pbisc-diffusion/updates/20261003T105229Z-deck-cross-cohort-loco-k1000/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/PBISC-Diffusion_paper_summary_20260930.pdf
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paper-releases/pbisc-diffusion/updates/20261003T105229Z-deck-cross-cohort-loco-k1000/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/PBISC-Diffusion_paper_summary_20260930.pptx
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paper-releases/pbisc-diffusion/updates/20261003T105229Z-deck-cross-cohort-loco-k1000/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/README.md
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# PBISC-Diffusion paper summary deck (2026-09-30, r00; restructured 2026-10-02)
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35-slide English summary of the PBISC-Diffusion (Model 8) paper experiments: title, outline and 10 sections
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(33 content slides). There is no Backup section: every slide sits in the section it supports. Short keyword lines
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only; the figures carry the results. Every slide that uses a published method, metric or baseline has a one-line
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"References:" footer; full citations are in the speaker notes. Section 10 is planned work.
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- `PBISC-Diffusion_paper_summary_20260930.pptx`: the deck
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- `PBISC-Diffusion_paper_summary_20260930.pdf`: LibreOffice PDF of the deck
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- `data/slides_spec.json`: slide order, titles, keywords, footnotes, references, speaker-note text
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- `generate_deck.py`: builds the pptx from `data/slides_spec.json` only (python-pptx)
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- `figures/`: exactly the figures the slides show (PNG + PDF), made by `tools/sec*.py`. Intermediate panels go to a
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temporary folder; superseded figures are deleted, not kept (2026-10-02, user request; every deleted file was
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checked to be in the paper archive by sha256 first).
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- `data/sec*.csv` and `data/*_slide_text.json`: every plotted or quoted number with its source path
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- `render/`: PDF and 70-dpi slide JPGs for checking
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## Slide order
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| section | slides |
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|---|---|
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| 1 Model overview | bulk in, cells out; denoiser |
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| 2 Backbone | SDD → PBISC-Diffusion; bulk conditioning |
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| 3 Architecture ablation | width & context (loss, benchmark); gene panel |
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| 4 Metrics + SLE benchmark | **how we score generated cells** (metric table with references); SLE benchmark; per cell type; bulk broadcast baseline |
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| 5 Real bulk vs pseudobulk | input shift; same shift in three cohorts; cells off-manifold; disease direction flips |
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| 6 Paired fine-tuning | method; evaluation design |
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| 7 LoRA ablations | full vs LoRA vs cond.-encoder-only; LoRA rank r = 4 / 16 / 64; K diversification |
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| 8 Pairs needed | composition / coverage / steps; donor and disease signal |
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| 9 Paired validation | cohorts; 5 donors: cells, realism beyond P/C, P/C at k = 3 / 5 / 10, scSemiProfiler copies its representative, disease signal, CAT curves, time to apply; 5-fold CV and its realism metrics |
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| 10 Paired-subset cohorts | planned |
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## Rebuild
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Everything is CPU only; no GPU or checkpoint is touched.
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```bash
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# prerequisites (plan folder plans/paired_finetune_intradataset_20260927/, CPU):
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# scsemi/tools/representative_dependence.py -> scsemi/analysis/representative_dependence_20261002/
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# tools/contrast_extra.py (+ tools/contrast_extra_tables.py) -> scores_contrast/ (Spearman, ceiling, limma, CAT, RBO)
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# tools/build_tpm_zeroshot.py + tools/score_tpm_zeroshot.sh -> scores/<ds>/zeroshot_tpm_20261002/pooled/
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# (the length-corrected zero-shot arm needs one GPU sampling step: tools/sample_lockwait.sh, coordinator only)
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cd /home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/presentations/2026-09-30--paper-summary--r00
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# shared helpers, not run directly: style.py, sec03_common.py, scsemi_results.py, fold_sizes.py
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for f in sec01_overview sec02_backbone sec03_width_loss sec03_width_bench sec03_panel \
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sec04_metrics_overview sec04_sle_benchmark sec05_condition_space sec05_cells_offmanifold \
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sec05_behcet_direction sec05_shift_cohorts sec06_finetune_method sec07_ft_modes \
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sec07_k_aug sec07_rank_sweep sec08_pairs_needed sec08_cross_cohort sec09_paired_validation sec09_extra_metrics \
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sec09_time_to_apply sec09_scsemi_representative sec09_cat_curves sec10_paired_subset_cohorts; do
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python3 "tools/$f.py" || break
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done
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python3 tools/sync_sec09_text.py # copy every generated slide text (sec09_index / text_source) into the spec
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python3 generate_deck.py # -> PBISC-Diffusion_paper_summary_20260930.pptx
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soffice --headless --convert-to pdf --outdir render PBISC-Diffusion_paper_summary_20260930.pptx
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pdftoppm -jpeg -r 70 render/PBISC-Diffusion_paper_summary_20260930.pdf render/slide
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cp render/PBISC-Diffusion_paper_summary_20260930.pdf .
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```
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`generate_deck.py` stops with an error if a figure is missing, a title does not fit on one line, a footnote needs
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more than 2 lines (1 line when the slide has references), the reference line needs more than 1 line, or any text
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contains Korean or placeholder words. `tools/restructure_20261002.py` is the one-off script that produced the current
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slide order and the references (it refuses to run twice).
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## Notes
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- **No "all" label (2026-10-02).** The 5-fold arm trains each fold model on the other four folds minus 7–8
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inner-validation donors; its test fold is never trained on (RUN.json `test_rows_never_loaded_for_training`). Figures
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label it "5-fold CV (other 4 folds)" and learning-curve ticks show the training-pair count per fold (78–79 ImMicro,
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58–59 sepsis), read by `tools/fold_sizes.py`.
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- **Learning curve x = 0 uses no pairs (2026-10-02).** It shows the zero-shot model fed the real bulk as measured
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and after exon-length correction (counts / Ensembl union-exon kb, then the same fixed-depth arithmetic;
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`plans/.../tools/build_tpm_zeroshot.py`, scored in `scores/<ds>/zeroshot_tpm_20261002/pooled`). The old x = 0
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calibration point, whose alpha used every training pair of the fold, is gone; calibration appears only fitted on the
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same n pairs as the LoRA point (squares; `cal_budget_20261001`).
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- **Disease metrics (2026-10-02).** Next to Pearson logFC r and the Welch top-50 DEG overlap: Spearman r, the
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split-half ceiling (observed vs observed, Spearman–Brown), limma-voom top-50 DEG, each arm's chance overlap, and
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CAT curves with the k / 2G chance line (`plans/.../scores_contrast/`, tools/contrast_extra.py; every Pearson r and
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Welch count reproduced exactly). Repeated samples of one patient (Imperial, Giroux, Ji) count as separate samples in
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both DE tests, as in the scorer (footnote).
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- Section 9 text is generated: `tools/sec09_paired_validation.py`, `sec09_extra_metrics.py`, `sec07_rank_sweep.py`,
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`sec09_time_to_apply.py`, `sec09_scsemi_representative.py`, `sec09_cat_curves.py` write slide text JSON; sync copies
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it. Hand-written: the keywords of the two "Pairs needed" slides (section 8) and of every slide in sections 1–7 and 10.
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- Giroux's disease metrics exclude 196 sex-linked genes (severity is confounded with sex), from
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`plans/.../scores_nosex/`. The calibration comparator is "Zero-shot + calibration" (user decision 2026-10-01).
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- Story rule (user decision 2026-09-30): no PBISC-VAE and no reference calibration (refcal). The exon-length-corrected
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input is used only as the no-pair x = 0 point of the learning curve (user decision 2026-10-02).
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`tools/sec04_immicro.py` (refcal vs scSemiProfiler on ImMicro) is kept but is not part of the deck or the rebuild.
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- scSemiProfiler 5-fold and equal-budget results are picked up automatically when they appear (`tools/scsemi_results.py`;
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arm `scsemi__raw` in `scores/<cohort>/scsemi_cv_20261002/pooled*/`, `scsemi_n{5,10,20,40}__raw` in
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`scores/<cohort>/scsemi_budget_20261002/pooled*/`; same donors and reference cells as the main pooled call only).
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Then rerun sections 8 and 9, sync, recheck the section 8 keywords and rebuild.
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- Earlier versions: `_archive/2026-09-30_before_no_vae_refcal/`, `_archive/2026-10-01_before_extra_metrics/`,
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| 93 |
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`_archive/2026-10-02_before_time_to_apply/`, `_archive/2026-10-02_before_restructure/` (pptx, PDF, spec; their
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figures are in the paper archive). `DRAFT_1150_*`: the copy shown at the 2026-09-30 12:00 meeting.
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- Added 2026-10-03 (user decision: the cross-cohort experiment is reported at K = 1000 only and is the figure that explains
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why PBISC fits LoRA on a few pairs of each cohort): slides 25-26 in section 8, `tools/sec08_cross_cohort.py`.
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- Slide 25 "Pairs from other cohorts do not transfer": per held-out cohort, composition L1 / coverage / disease logFC r of
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zero-shot, calibration fitted on the other cohorts, LoRA r16 / r64 / full fine-tune trained on the other cohorts
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(+ Liu 2021) at step saturation, and LoRA on the cohort's own pairs (5-fold pooled).
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- Slide 26 "Longer training on other cohorts: no gain": the same metrics at every 20k-step milestone.
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- Source plan: `plans/paired_crosscohort_20261002/` (README; same-reference and same-sample checks in the script).
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Agenda item 8 now reads "How many pairs, and do other cohorts' pairs transfer". The deck has 37 slides.
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Pre-update copy: `_archive/2026-10-03_before_cross_cohort/`.
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## Sources
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Final model: `runs/f01_6k_1x_seed20260627` (epoch 16, EMA). Scores and receipts come from
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`plans/utility_studies_final6k_20260925/`, `plans/paired_finetune_intradataset_20260927/`,
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`plans/immicro_scsemi_comparison_20260927/`, `plans/floor01_campaign_20260923/`,
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`analysis/scsemi_benchmark_diffusion_20260913/` and the run folders named in each `data/sec*.csv`. Reference PDFs:
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| 112 |
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`/home/sj_server_1/PBISC/paper-release-20260928/reference-papers/` (INDEX.md). Manuscript:
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| 113 |
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`/home/sj_server_1/PBISC/paper-release-20260928/manuscript/`.
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paper-releases/pbisc-diffusion/updates/20261003T105229Z-deck-cross-cohort-loco-k1000/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/sec08_cross_cohort.py
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|
| 1 |
+
#!/usr/bin/env python3
|
| 2 |
+
"""Section 8 of the 2026-09-30 paper-summary deck: do bulk-sc pairs from OTHER cohorts transfer? (added 2026-10-03)
|
| 3 |
+
|
| 4 |
+
The leave-one-cohort-out (LOCO) benchmark of plans/paired_crosscohort_20261002 (user decision 2026-10-03: report
|
| 5 |
+
K = 1000 only and use it to explain why PBISC fits LoRA on a few pairs of each cohort instead of one cross-cohort
|
| 6 |
+
model). CPU only; reads score summaries and run receipts, draws two slide figures:
|
| 7 |
+
figures/sec08_cross_cohort.{png,pdf} FULL: composition L1, coverage, disease logFC r per held-out cohort
|
| 8 |
+
figures/sec08_cross_cohort_steps.{png,pdf} FULL: the same test metrics against training steps (block milestones)
|
| 9 |
+
data/sec08_cross_cohort.csv, data/sec08_cross_cohort_steps.csv every plotted value with its source file
|
| 10 |
+
data/sec08_cross_cohort_slide_text.json titles, keywords, footnotes, quoted numbers (synced into the spec)
|
| 11 |
+
|
| 12 |
+
Arms (every one scores the held-out cohort's usable samples against the same frozen reference; checked):
|
| 13 |
+
zero-shot base model, real bulk (zs_K1000)
|
| 14 |
+
calibration (other) base model, bulk x alpha fitted on the OTHER cohorts' pairs (xcalL_K1000) 0 target pairs
|
| 15 |
+
LoRA r16 / r64 / full fine-tuned on the other PBMC cohorts + Liu 2021 (Liu: training only), step-saturation
|
| 16 |
+
protocol (20k blocks, stop below 1 % block improvement); value = last milestone 0 target pairs
|
| 17 |
+
own-cohort LoRA LoRA r16 on the cohort's own pairs, 5-fold pooled (plans/paired_finetune_intradataset_20260927)
|
| 18 |
+
Giroux's logFC r excludes the 196 sex-linked genes (scores_nosex/), as everywhere else in the deck.
|
| 19 |
+
"""
|
| 20 |
+
from __future__ import annotations
|
| 21 |
+
|
| 22 |
+
import json
|
| 23 |
+
import os
|
| 24 |
+
import sys
|
| 25 |
+
from pathlib import Path
|
| 26 |
+
|
| 27 |
+
import numpy as np
|
| 28 |
+
import pandas as pd
|
| 29 |
+
|
| 30 |
+
DECK = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/presentations/"
|
| 31 |
+
"2026-09-30--paper-summary--r00")
|
| 32 |
+
sys.path.insert(0, str(DECK / "tools"))
|
| 33 |
+
import style # noqa: E402
|
| 34 |
+
import matplotlib.pyplot as plt # noqa: E402
|
| 35 |
+
from matplotlib.patches import Patch # noqa: E402
|
| 36 |
+
from matplotlib.lines import Line2D # noqa: E402
|
| 37 |
+
|
| 38 |
+
M8 = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion")
|
| 39 |
+
LOCO = M8 / "plans/paired_crosscohort_20261002"
|
| 40 |
+
SRC = M8 / "plans/paired_finetune_intradataset_20260927"
|
| 41 |
+
FIGDIR = Path(os.environ.get("DECK_FIGDIR", str(DECK / "figures")))
|
| 42 |
+
OUTDATA = Path(os.environ.get("DECK_OUTDATA", str(DECK / "data")))
|
| 43 |
+
ORDER = ["immicro", "ye2026_sepsis", "imperial_eskd", "giroux2022", "ji2025_chili"]
|
| 44 |
+
NAME = {"immicro": "ImMicro", "ye2026_sepsis": "Sepsis", "imperial_eskd": "Imperial", "giroux2022": "Giroux",
|
| 45 |
+
"ji2025_chili": "Ji (whole blood)"}
|
| 46 |
+
MODES = [("lora16sat", "LoRA r16"), ("lora64sat", "LoRA r64"), ("fullsat", "Full fine-tune")]
|
| 47 |
+
COL = {"zs": style.ARM["zs_raw"], "xcal": style.ARM["zs_cal"], "lora16sat": "#44AA99", "lora64sat": "#117733",
|
| 48 |
+
"fullsat": "#332288", "own": style.ARM["lora"]}
|
| 49 |
+
LAB = {"zs": "Zero-shot", "xcal": "Calibration from other cohorts", "lora16sat": "LoRA r16, other cohorts",
|
| 50 |
+
"lora64sat": "LoRA r64, other cohorts", "fullsat": "Full fine-tune, other cohorts",
|
| 51 |
+
"own": "LoRA on the cohort's own pairs"}
|
| 52 |
+
ARMS = ["zs", "xcal", "lora16sat", "lora64sat", "fullsat", "own"]
|
| 53 |
+
METRICS = [("comp_l1", "Composition L1\nlower = better"), ("coverage", "Coverage\nhigher = better"),
|
| 54 |
+
("logfc_r", "Disease logFC r\nhigher = better")]
|
| 55 |
+
EDGE, SUB, FS = "#333333", "#595959", style.FS
|
| 56 |
+
|
| 57 |
+
|
| 58 |
+
def summary_metrics(summary_path: Path, arm: str, disease_path: Path | None) -> dict:
|
| 59 |
+
s = json.loads(summary_path.read_text())
|
| 60 |
+
h = s["headline"][arm]
|
| 61 |
+
out = {"comp_l1": h["comp_l1"], "coverage": h["coverage"], "precision": h["precision"],
|
| 62 |
+
"logfc_r": h.get("contrast_mean_cp10k_r_gen"), "reference_sha256": s["reference"]["reference_sha256"],
|
| 63 |
+
"donors": sorted(s["donors"]), "source": str(summary_path), "source_disease": None}
|
| 64 |
+
if disease_path is not None and disease_path.is_file():
|
| 65 |
+
d = json.loads(disease_path.read_text())
|
| 66 |
+
out["logfc_r"] = d["headline"][arm].get("contrast_mean_cp10k_r_gen")
|
| 67 |
+
out["source_disease"] = str(disease_path)
|
| 68 |
+
return out
|
| 69 |
+
|
| 70 |
+
|
| 71 |
+
def final_arm(cohort: str, tag: str) -> tuple[str, int, dict]:
|
| 72 |
+
run = json.loads((LOCO / "runs" / f"hoL_{cohort}" / "K1000" / tag / "RUN.json").read_text())
|
| 73 |
+
st = run["milestones"][-1]["milestone_step"]
|
| 74 |
+
return f"locoL_{tag}_s{st}_K1000", st, run
|
| 75 |
+
|
| 76 |
+
|
| 77 |
+
def loco_paths(cohort: str, arm: str) -> tuple[Path, Path | None]:
|
| 78 |
+
main = LOCO / "scores" / cohort / arm / "summary.json"
|
| 79 |
+
dis = LOCO / "scores_nosex" / cohort / arm / "summary.json" if cohort == "giroux2022" else None
|
| 80 |
+
return main, dis
|
| 81 |
+
|
| 82 |
+
|
| 83 |
+
def collect() -> tuple[pd.DataFrame, pd.DataFrame, dict]:
|
| 84 |
+
rows, steps, runs = [], [], {}
|
| 85 |
+
for c in ORDER:
|
| 86 |
+
refs = set()
|
| 87 |
+
for a, arm in (("zs", "zs_K1000"), ("xcal", "xcalL_K1000")):
|
| 88 |
+
m = summary_metrics(*loco_paths(c, arm)[:1], arm, loco_paths(c, arm)[1])
|
| 89 |
+
rows.append({"cohort": c, "arm": a, "score_arm": arm, "steps": None, **m})
|
| 90 |
+
refs.add(m["reference_sha256"])
|
| 91 |
+
for tag, _ in MODES:
|
| 92 |
+
arm, st, run = final_arm(c, tag)
|
| 93 |
+
runs[(c, tag)] = run
|
| 94 |
+
m = summary_metrics(*loco_paths(c, arm)[:1], arm, loco_paths(c, arm)[1])
|
| 95 |
+
rows.append({"cohort": c, "arm": tag, "score_arm": arm, "steps": st, **m})
|
| 96 |
+
refs.add(m["reference_sha256"])
|
| 97 |
+
for ms in run["milestones"]:
|
| 98 |
+
a2 = f"locoL_{tag}_s{ms['milestone_step']}_K1000"
|
| 99 |
+
m2 = summary_metrics(*loco_paths(c, a2)[:1], a2, loco_paths(c, a2)[1])
|
| 100 |
+
steps.append({"cohort": c, "mode": tag, "step": ms["milestone_step"],
|
| 101 |
+
"inner_val_loss": ms["selected_inner_val_loss"], "score_arm": a2,
|
| 102 |
+
**{k: m2[k] for k in ("comp_l1", "coverage", "precision", "logfc_r", "source",
|
| 103 |
+
"source_disease")}})
|
| 104 |
+
refs.add(m2["reference_sha256"])
|
| 105 |
+
own = summary_metrics(SRC / "scores" / c / "pooled" / "summary.json", "real_lora__raw",
|
| 106 |
+
SRC / "scores_nosex" / c / "pooled" / "summary.json" if c == "giroux2022" else None)
|
| 107 |
+
rows.append({"cohort": c, "arm": "own", "score_arm": "real_lora__raw", "steps": None, **own})
|
| 108 |
+
refs.add(own["reference_sha256"])
|
| 109 |
+
donors = {tuple(r["donors"]) for r in rows if r["cohort"] == c}
|
| 110 |
+
if len(refs) != 1 or len(donors) != 1:
|
| 111 |
+
raise SystemExit(f"{c}: scoring calls differ in reference or samples")
|
| 112 |
+
t = pd.DataFrame(rows).drop(columns=["donors", "reference_sha256"])
|
| 113 |
+
return t, pd.DataFrame(steps), runs
|
| 114 |
+
|
| 115 |
+
|
| 116 |
+
def draw_main(t: pd.DataFrame) -> None:
|
| 117 |
+
fig, axs = plt.subplots(len(METRICS), len(ORDER), figsize=(12.3, 5.0), sharey="row",
|
| 118 |
+
gridspec_kw={"hspace": 0.32, "wspace": 0.08})
|
| 119 |
+
x = np.arange(len(ARMS))
|
| 120 |
+
for j, c in enumerate(ORDER):
|
| 121 |
+
sub = t[t.cohort == c].set_index("arm").loc[ARMS]
|
| 122 |
+
for i, (key, label) in enumerate(METRICS):
|
| 123 |
+
ax = axs[i, j]
|
| 124 |
+
v = sub[key].astype(float).to_numpy()
|
| 125 |
+
if np.isnan(v).all():
|
| 126 |
+
ax.text(0.5, 0.5, "no case–control groups", ha="center", va="center", fontsize=FS - 3, color=SUB,
|
| 127 |
+
transform=ax.transAxes)
|
| 128 |
+
else:
|
| 129 |
+
ax.bar(x, np.nan_to_num(v), 0.78, color=[COL[a] for a in ARMS], edgecolor="none")
|
| 130 |
+
for xi, a in zip(x, ARMS):
|
| 131 |
+
if a in ("lora16sat", "lora64sat", "fullsat"):
|
| 132 |
+
st = sub.loc[a, "steps"]
|
| 133 |
+
if i == 0:
|
| 134 |
+
ax.text(xi, 0.012, f"{int(st) // 1000}k", ha="center", va="bottom", rotation=90,
|
| 135 |
+
fontsize=FS - 6, color="white")
|
| 136 |
+
ax.set_xticks([])
|
| 137 |
+
if j == 0:
|
| 138 |
+
ax.set_ylabel(label, fontsize=FS - 3)
|
| 139 |
+
if i == 0:
|
| 140 |
+
ax.set_title(NAME[c], fontsize=FS - 1)
|
| 141 |
+
ax.tick_params(axis="y", labelsize=FS - 4)
|
| 142 |
+
ax.axhline(0, color=EDGE, lw=0.8)
|
| 143 |
+
handles = [Patch(color=COL[a], label=LAB[a]) for a in ARMS]
|
| 144 |
+
fig.legend(handles=handles, loc="lower center", ncol=3, bbox_to_anchor=(0.5, -0.08), fontsize=FS - 3,
|
| 145 |
+
handlelength=1.1, columnspacing=1.4)
|
| 146 |
+
style.save(fig, "sec08_cross_cohort", FIGDIR)
|
| 147 |
+
|
| 148 |
+
|
| 149 |
+
def draw_steps(t: pd.DataFrame, st: pd.DataFrame) -> None:
|
| 150 |
+
mets = METRICS[:2] + [METRICS[2]]
|
| 151 |
+
fig, axs = plt.subplots(len(mets), len(ORDER), figsize=(12.3, 5.0), sharex=True, sharey="row",
|
| 152 |
+
gridspec_kw={"hspace": 0.3, "wspace": 0.08})
|
| 153 |
+
for j, c in enumerate(ORDER):
|
| 154 |
+
ref = t[t.cohort == c].set_index("arm")
|
| 155 |
+
for i, (key, label) in enumerate(mets):
|
| 156 |
+
ax = axs[i, j]
|
| 157 |
+
if ref[key].isna().all():
|
| 158 |
+
ax.text(0.5, 0.5, "no case–control groups", ha="center", va="center", fontsize=FS - 3, color=SUB,
|
| 159 |
+
transform=ax.transAxes)
|
| 160 |
+
else:
|
| 161 |
+
for tag, _ in MODES:
|
| 162 |
+
s = st[(st.cohort == c) & (st["mode"] == tag)].sort_values("step")
|
| 163 |
+
ax.plot(s.step / 1000, s[key], "-o", color=COL[tag], ms=3.5, lw=1.6)
|
| 164 |
+
for a, ls in (("xcal", "--"), ("own", ":")):
|
| 165 |
+
ax.axhline(ref.loc[a, key], color=COL[a], ls=ls, lw=1.4)
|
| 166 |
+
if j == 0:
|
| 167 |
+
ax.set_ylabel(label, fontsize=FS - 3)
|
| 168 |
+
if i == 0:
|
| 169 |
+
ax.set_title(NAME[c], fontsize=FS - 1)
|
| 170 |
+
if i == len(mets) - 1:
|
| 171 |
+
ax.set_xlabel("training steps (k)", fontsize=FS - 3)
|
| 172 |
+
ax.tick_params(labelsize=FS - 4)
|
| 173 |
+
handles = [Line2D([0], [0], color=COL[t_], marker="o", ms=4, lw=1.6, label=LAB[t_]) for t_, _ in MODES]
|
| 174 |
+
handles += [Line2D([0], [0], color=COL["xcal"], ls="--", lw=1.4, label=LAB["xcal"]),
|
| 175 |
+
Line2D([0], [0], color=COL["own"], ls=":", lw=1.4, label=LAB["own"])]
|
| 176 |
+
fig.legend(handles=handles, loc="lower center", ncol=3, bbox_to_anchor=(0.5, -0.09), fontsize=FS - 3,
|
| 177 |
+
handlelength=1.8, columnspacing=1.4)
|
| 178 |
+
style.save(fig, "sec08_cross_cohort_steps", FIGDIR)
|
| 179 |
+
|
| 180 |
+
|
| 181 |
+
def slide_text(t: pd.DataFrame, st: pd.DataFrame, runs: dict) -> dict:
|
| 182 |
+
piv = {k: t.pivot(index="cohort", columns="arm", values=k).loc[ORDER] for k, _ in METRICS}
|
| 183 |
+
loco = ["lora16sat", "lora64sat", "fullsat"]
|
| 184 |
+
best_l1 = piv["comp_l1"][["xcal"] + loco].idxmin(axis=1)
|
| 185 |
+
n_cal_l1 = int((piv["comp_l1"]["xcal"] <= piv["comp_l1"][loco].min(axis=1) + 0.01).sum())
|
| 186 |
+
own_cov = piv["coverage"]["own"]
|
| 187 |
+
zero_cov = piv["coverage"][["xcal"] + loco].max(axis=1)
|
| 188 |
+
dis = [c for c in ORDER if not np.isnan(piv["logfc_r"].loc[c, "own"])]
|
| 189 |
+
own_r = piv["logfc_r"].loc[dis, "own"]
|
| 190 |
+
zero_r = piv["logfc_r"].loc[dis, ["zs", "xcal"] + loco].max(axis=1)
|
| 191 |
+
n_own_cov = int((own_cov > zero_cov).sum())
|
| 192 |
+
n_own_r = int((own_r > zero_r).sum())
|
| 193 |
+
sat = {tag: [r["milestones"][-1]["milestone_step"] for (c, tg), r in runs.items() if tg == tag] for tag in loco}
|
| 194 |
+
ji = st[(st.cohort == "ji2025_chili") & (st["mode"] == "fullsat")].sort_values("step")
|
| 195 |
+
ji_first, ji_last = ji.comp_l1.iloc[0], ji.comp_l1.iloc[-1]
|
| 196 |
+
s1 = {"title": "Pairs from other cohorts do not transfer", "layout": "full",
|
| 197 |
+
"figures": [str(FIGDIR / "sec08_cross_cohort.png")],
|
| 198 |
+
"keywords": ["Train on the other cohorts, test the held-out one",
|
| 199 |
+
f"Calibration ties or beats them on composition in {n_cal_l1}/5",
|
| 200 |
+
f"Own-cohort pairs best on coverage {n_own_cov}/5, disease r {n_own_r}/{len(dis)}"],
|
| 201 |
+
"footnote_short": "Leave-one-cohort-out, K = 1000; train on the other cohorts (+ Liu 2021), test the held-out one.",
|
| 202 |
+
"footnote": ("Each held-out cohort is scored on all its usable samples against the same frozen reference as "
|
| 203 |
+
"its within-cohort benchmark. Zero-shot = base model on real bulk. Calibration from other cohorts = "
|
| 204 |
+
"gene-wise alpha (mean pseudobulk CPM / mean bulk CPM) fitted on the training cohorts' pairs, "
|
| 205 |
+
"cohort-balanced; 0 target pairs. LoRA r16 / r64 / full fine-tune = trained on the other PBMC "
|
| 206 |
+
"cohorts' pairs plus Liu 2021 (training only: its cells are in the pretraining corpus; 44 pairs "
|
| 207 |
+
"after excluding 14 hashtag-negative-heavy rows), cohort-balanced batches, inner-validation on "
|
| 208 |
+
"10 % of each training cohort's donors, step-saturation protocol (20k-step blocks, stop when a "
|
| 209 |
+
"block lowers the inner-validation loss by < 1 % of the total), value at the last milestone "
|
| 210 |
+
"(number in the bar = steps). Ji's bulk is whole blood and is never trained on. Own-cohort LoRA = "
|
| 211 |
+
"LoRA r16 on the cohort's own pairs, 5-fold pooled. Giroux's logFC r excludes 196 sex-linked "
|
| 212 |
+
"genes. Best on composition among zero-target-pair arms: " +
|
| 213 |
+
", ".join(f"{NAME[c]} {LAB[best_l1[c]]}" for c in ORDER) + "."),
|
| 214 |
+
"numbers": [{"value": f"{NAME[c]}: L1 " + " / ".join(f"{a} {piv['comp_l1'].loc[c, a]:.3f}" for a in ARMS)
|
| 215 |
+
+ "; coverage " + " / ".join(f"{a} {piv['coverage'].loc[c, a]:.2f}" for a in ARMS)
|
| 216 |
+
+ ("; logFC r " + " / ".join(f"{a} {piv['logfc_r'].loc[c, a]:.2f}" for a in ARMS)
|
| 217 |
+
if c in dis else ""), "source": "data/sec08_cross_cohort.csv"} for c in ORDER]}
|
| 218 |
+
s2 = {"title": "Longer training on other cohorts: no gain", "layout": "full",
|
| 219 |
+
"figures": [str(FIGDIR / "sec08_cross_cohort_steps.png")],
|
| 220 |
+
"keywords": [f"Saturation: r16 by {max(sat['lora16sat']) // 1000}k, r64 by {max(sat['lora64sat']) // 1000}k, "
|
| 221 |
+
f"full by {max(sat['fullsat']) // 1000}k steps",
|
| 222 |
+
f"Full fine-tune drifts away (Ji L1 {ji_first:.2f} → {ji_last:.2f})",
|
| 223 |
+
"So PBISC fits LoRA on a few pairs per cohort"],
|
| 224 |
+
"footnote_short": "Test metrics at every 20k-step milestone (best inner-validation state so far). K = 1000.",
|
| 225 |
+
"footnote": ("Same runs as the previous slide. Each point = the milestone checkpoint at the end of a 20k-step "
|
| 226 |
+
"block (or at the early stop), sampled and scored on the held-out cohort. Dashed = calibration "
|
| 227 |
+
"from other cohorts; dotted = LoRA on the cohort's own pairs. Training stopped (steps): " +
|
| 228 |
+
"; ".join(f"{dict(MODES)[tg]} " + ", ".join(f"{NAME[c].split(' ')[0]} {runs[(c, tg)]['milestones'][-1]['milestone_step'] // 1000}k"
|
| 229 |
+
for c in ORDER) for tg in loco) + "."),
|
| 230 |
+
"numbers": [{"value": f"{NAME[c]} {dict(MODES)[tg]}: " + ", ".join(
|
| 231 |
+
f"{int(r.step) // 1000}k L1 {r.comp_l1:.3f} cov {r.coverage:.2f}" for r in
|
| 232 |
+
st[(st.cohort == c) & (st["mode"] == tg)].sort_values("step").itertuples()),
|
| 233 |
+
"source": "data/sec08_cross_cohort_steps.csv"} for c in ORDER for tg in loco]}
|
| 234 |
+
return {"section": "08-cross-cohort", "scripts": [str(Path(__file__).resolve())],
|
| 235 |
+
"generated_from": "tools/sec08_cross_cohort.py (rerun to refresh; do not edit by hand)",
|
| 236 |
+
"slides": [s1, s2]}
|
| 237 |
+
|
| 238 |
+
|
| 239 |
+
def main() -> int:
|
| 240 |
+
t, st, runs = collect()
|
| 241 |
+
agg = pd.read_csv(LOCO / "scores" / "aggregate.csv")
|
| 242 |
+
for r in t[t.arm.isin(["zs", "xcal", "lora16sat", "lora64sat", "fullsat"])].itertuples():
|
| 243 |
+
g = agg[(agg.cohort == r.cohort) & (agg.arm == r.score_arm)]
|
| 244 |
+
if len(g) != 1 or abs(float(g.comp_l1.iloc[0]) - r.comp_l1) > 1e-9:
|
| 245 |
+
raise SystemExit(f"{r.cohort} {r.score_arm}: differs from scores/aggregate.csv")
|
| 246 |
+
OUTDATA.mkdir(exist_ok=True)
|
| 247 |
+
t.to_csv(OUTDATA / "sec08_cross_cohort.csv", index=False)
|
| 248 |
+
st.to_csv(OUTDATA / "sec08_cross_cohort_steps.csv", index=False)
|
| 249 |
+
draw_main(t)
|
| 250 |
+
draw_steps(t, st)
|
| 251 |
+
txt = slide_text(t, st, runs)
|
| 252 |
+
(OUTDATA / "sec08_cross_cohort_slide_text.json").write_text(json.dumps(txt, indent=1, ensure_ascii=False))
|
| 253 |
+
for s in txt["slides"]:
|
| 254 |
+
print(s["title"]); print(" " + "\n ".join(s["keywords"]))
|
| 255 |
+
return 0
|
| 256 |
+
|
| 257 |
+
|
| 258 |
+
if __name__ == "__main__":
|
| 259 |
+
sys.exit(main())
|