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Archive 4 checkpoints (1-4)

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paper-releases/pbisc-diffusion/updates/20261005T133325Z-deck-scratch-samepairs-tracking/diffusion/dataset/server_1/model8/plans/paired_crosscohort_20261002/scores_masked/ye2026_sepsis/xcalL_K1000/README.md ADDED
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+ # score_ft.py output: ye2026_sepsis, 82 scored donors
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+
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+ Arms: xcalL_K1000. Every arm is scored on the same donors against the same observed reference.
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+
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+ ## Inputs and fixed contracts
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+ - Observed reference: `/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scoring_cache/ye2026_sepsis/reference.npz` (sha bac12da8a241), built from datadir:/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/data/ye2026_sepsis;
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+ observed cells sum exactly to the features pseudobulk of every donor. Observed labels: /home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scoring_cache/ye2026_sepsis/observed_labels/labels/labels.parquet.
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+ - Generated cells: `generated_counts` read out once with Poisson(seed 20260916) over the **whole NPZ in row order**
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+ (`poisson_readout.poisson_integerise`), then the scored donors' rows. These integer counts are used for labels, embedding,
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+ depth and the contrast. Pseudobulk uses the summed `generated_counts` (rates), as `score_generated.py`.
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+ - Labels: frozen f01common scANVI (`predict_scanvi.py`, CPU, zero query epochs), six-type gate ['T cell', 'B cell', 'Monocyte', 'NK cell', 'DC', 'Other']; query genes =
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+ the 1,006-gene annotation list minus genes the dataset's sc assay did not measure in every sample (1006 genes).
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+ - Scoring genes: 6k panel genes measured by both assays in every sample of the dataset (5975 genes).
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+
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+ ## Definitions
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+ 1. **Composition**: fraction of each donor's cells per six-type label (all generated cells; all observed QC cells).
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+ `comp_l1` = sum over the six labels of |generated - observed| (immicro_common.l1). `comp_l1_obs_loo_null` = L1 of the
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+ donor's observed composition to the mean of the *other scored donors'* observed compositions. `composition_top1` =
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+ fraction of donors whose generated composition is closest (L1) to their own observed composition.
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+ 2. **Pseudobulk**: `pb_r` = Pearson r of CPM-log1p(summed generated_counts) vs CPM-log1p(observed pseudobulk) on the scoring
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+ genes (evaluate_realbulk.cpm_log1p / paired_r). `pb_top1` = the donor's generated pseudobulk is closest (Pearson) to its own
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+ observed pseudobulk among the 82 scored donors (immicro_common.retrieval = evaluate_realbulk.top1 arithmetic).
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+ 3. **Precision / coverage / density** (stage_b_embed.py functions): per-cell CP10K over the scoring genes + log1p; PCA-50
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+ (randomized, random_state 20260925) and k = 10 real-real k-NN balls fitted on **R1 of the scored donors only**.
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+ Reference rule (independent of fold and arm): per donor, cells in canonical order (library_id+barcode), one
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+ permutation from `default_rng([20260925, uint64(sha256(donor)[:8])])`; R1 = first n, R2 = next n,
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+ n = min(150, n_cells // 2) (12300 R1 cells here). Generated query: per donor n cells (the donor's R1 size),
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+ without replacement, `default_rng([20260926, same key])`. Precision = fraction of generated cells inside any R1 ball
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+ (Kynkaanniemi 2019); coverage = fraction of R1 cells whose ball holds a generated cell; density = Naeem 2020.
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+ Per-donor precision = that donor's generated cells; per-donor coverage = that donor's R1 cells (the pooled values are
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+ their n-weighted means; plain means when every donor has 150 reference cells). R2 (held-out real cells of the same donors) is the
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+ perfect-generator control: precision 0.9805, coverage 0.9997.
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+ **Depth matched**: stage_b_embed depth matching run pairwise (R1 vs this arm): per donor and within-donor rank of detected
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+ genes, both cells are thinned by UMI sampling without replacement to the smaller detected-gene count; PCA kept from
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+ un-thinned R1, radii recomputed on thinned R1; fresh rng(20260929) per arm. R2 control: precision
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+ 0.9796, coverage 0.9998.
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+ 4. **Monocyte %** = 100 x Monocyte fraction (all cells) per donor; **median UMI per cell** = median over cells of the
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+ Poisson-read (generated) / observed counts summed over the scoring genes (per donor, and pooled).
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+ 5. **Group contrast** (T, B, Monocyte, NK): case groups ['adult_sepsis', 'ped_sepsis'] (n = 61) vs control groups ['adult_HC', 'adult_ICU_ctrl', 'ped_HC', 'ped_ICU_ctrl'] (n = 21); rule: explicit --case-groups / --control-groups; groups from features groups.
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+ Genes per type = scoring genes detected (count > 0) in >= 1 % of the scored donors' observed
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+ cells of that type. Primary statistic `mean_cp10k`: per-cell CP10K over the scoring genes; per donor the mean over its
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+ cells of the type (donors with >= 1 such cell); group mean = mean over the group's donors (donor-balanced);
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+ logFC = log2(case mean + 1) - log2(control mean + 1). Secondary `pseudobulk_log1p_cpm`: the SLE benchmark evaluator's
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+ statistic (donor x type summed counts, log1p CPM over the scoring genes, mean case - mean control;
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+ evaluate_generated_vs_truth.group_log_fold_change). Both are computed on the generated cells (their frozen labels) and on
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+ the observed cells; `r_generated` = Pearson r of the two logFC vectors. Broadcast baseline `r_broadcast`: the same
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+ observed vector against the logFC of the input bulk (condition NPZ `bulk_counts` of the arm, scoring genes, per-donor
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+ CP10K resp. log1p CPM, group means). `partial_r_generated_given_broadcast`: r of the OLS residuals of observed and
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+ generated logFC on the bulk logFC (residual_specificity.py).
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+ 6. **Top-50 DEG overlap** (contrast.csv rows `statistic = welch_top50_deg`; summary `deg_top50`): the SLE benchmark's score (`total_top50_overlap` of
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+ `bulk2sc-paper/scripts/evaluate_generated_vs_truth.py`, Welch backend: the "top-50 DEG 81 / 84" of the final model), run
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+ with the evaluator's own functions on the same donor x type pseudobulks as the contrast. Per cell type, observed and
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+ generated separately: donor x type summed counts on all 5975 scoring genes (donors of the two groups with
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+ >= 1 cell of the type) -> `welch_bh_deg` (log1p CPM, two-sided Welch t-test case vs control, Benjamini-Hochberg over the
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+ genes with a defined p-value; needs >= 2 donors per group) -> `top_deg_genes` (FDR < 0.05, descending |logFC|,
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+ first 50; shorter when fewer genes pass). `top50_overlap` = |observed list & generated list|; `top50_jaccard`
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+ the evaluator's Jaccard. Summary `sum` = total over the scored types (the quantity reported as 81), `max` = the sum of
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+ the observed list lengths (the "of 262"), `sum_4type` = T + B + Monocyte + NK. A type is scored when its observed test
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+ is defined; an arm whose generated test is undefined for a scored type gets overlap 0. Types: T cell, B cell, Monocyte, NK cell, DC
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+ (aggregates: /home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scoring_cache/ye2026_sepsis/deg_reference.npz).
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+ **Broadcast analogue** (`top50_overlap_broadcast`, as `sle_broadcast.py` `broadcast_input_bulk`; not part of the
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+ published benchmark): the same test on the arm's condition bulk_counts (scoring genes, the 61 + 21
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+ donors), one whole-PBMC top-50 list, compared with every type's observed list.
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+
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+ ## Files
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+ - `per_donor.csv`: one row per arm x donor (all per-donor quantities above).
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+ - `summary.json`: per arm the donor means / pooled values, provenance (NPZ sha, receipt check, generation metadata,
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+ Poisson nnz of the whole NPZ, annotation contract), and the reference block (PCA, R2 control).
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+ - `contrast.csv`: per arm x cell type x statistic (`mean_cp10k`, `pseudobulk_log1p_cpm`: logFC r; `welch_top50_deg`:
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+ top-50 DEG overlap, T / B / Monocyte / NK / DC; columns of the other kind are empty).
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+ - `arms/<arm>/labels/` (predict_scanvi.py labels + manifest), `arms/<arm>/generated_cells.parquet` (NPZ row, donor, label,
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+ UMI on the scoring genes, P/C subsample flag), `arms/<arm>/deg_top50_lists.csv` (observed, generated and broadcast
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+ top-50 gene lists, Ensembl ids, rank order).
paper-releases/pbisc-diffusion/updates/20261005T133325Z-deck-scratch-samepairs-tracking/diffusion/dataset/server_1/model8/plans/paired_crosscohort_20261002/scores_masked/ye2026_sepsis/xcalL_K1000/arms/xcalL_K1000/deg_top50_lists.csv ADDED
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+ Monocyte,generated,49,ENSG00000115159
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+ all (input bulk),broadcast,1,ENSG00000244734
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+ all (input bulk),broadcast,48,ENSG00000198178
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+ all (input bulk),broadcast,49,ENSG00000162772
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+ all (input bulk),broadcast,50,ENSG00000277632
paper-releases/pbisc-diffusion/updates/20261005T133325Z-deck-scratch-samepairs-tracking/diffusion/dataset/server_1/model8/plans/paired_crosscohort_20261002/scores_masked/ye2026_sepsis/xcalL_K1000/arms/xcalL_K1000/labels/labels.manifest.json ADDED
@@ -0,0 +1,156 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "dataset_id": "Ye2026_sepsis",
3
+ "split": "generated",
4
+ "input_h5ad": "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_crosscohort_20261002/scores_masked/ye2026_sepsis/xcalL_K1000/arms/xcalL_K1000/query.h5ad",
5
+ "method": "xcalL_K1000",
6
+ "out_parquet": "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_crosscohort_20261002/scores_masked/ye2026_sepsis/xcalL_K1000/arms/xcalL_K1000/labels/labels.parquet",
7
+ "training_source": "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/aifi_scanvi_rebuild_20260916/reference/aifi_reference_f01common.h5ad",
8
+ "target_truth_used_for_fitting": false,
9
+ "classifier": "aifi_scanvi_rebuild_20260916_frozen_predict[aifi_scanvi_f01common_v1]",
10
+ "labels": [
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+ "T cell",
12
+ "B cell",
13
+ "Monocyte",
14
+ "NK cell",
15
+ "DC",
16
+ "Other"
17
+ ],
18
+ "l2_labels": [
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+ "ASDC",
20
+ "CD14 monocyte",
21
+ "CD16 monocyte",
22
+ "CD56bright NK cell",
23
+ "CD56dim NK cell",
24
+ "CD8aa",
25
+ "DN T cell",
26
+ "Effector B cell",
27
+ "Erythrocyte",
28
+ "ILC",
29
+ "Intermediate monocyte",
30
+ "MAIT",
31
+ "Memory B cell",
32
+ "Memory CD4 T cell",
33
+ "Memory CD8 T cell",
34
+ "Naive B cell",
35
+ "Naive CD4 T cell",
36
+ "Naive CD8 T cell",
37
+ "Plasma cell",
38
+ "Platelet",
39
+ "Progenitor cell",
40
+ "Proliferating NK cell",
41
+ "Proliferating T cell",
42
+ "Transitional B cell",
43
+ "Treg",
44
+ "cDC1",
45
+ "cDC2",
46
+ "gdT",
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+ "pDC"
48
+ ],
49
+ "n_cells": 123000,
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+ "n_genes": 1005,
51
+ "note": "Evaluation-only annotation with a frozen AIFI scANVI (zero query-training epochs); L1 outside PBMC5 -> Other, never dropped.",
52
+ "label_source_column": "AIFI_L2 (reference) -> AIFI_L2_TO_L1 -> PBMC5 + Other",
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+ "query_train_epochs": 0,
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+ "confidence_threshold": 0.0,
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+ "subset": false,
56
+ "evaluator_aligned": true,
57
+ "gene_space": {
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+ "join_key": "ensembl_id",
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+ "model_genes": 1005,
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+ "query_genes": 1006,
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+ "model_genes_missing_from_query_zero_padded": 0,
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+ "query_genes_outside_model_dropped": 1,
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+ "rule": "query is subset/reordered to the model's gene list; zero-padding of absent model genes is refused unless --allow-missing-genes"
64
+ },
65
+ "readout": null,
66
+ "query_build": {
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+ "kind": "generated_npz",
68
+ "poisson_note": "one draw over the whole NPZ, then the scored donors' rows",
69
+ "readout": "poisson",
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+ "seed": 20260916,
71
+ "set": "xcalL_K1000",
72
+ "source_path": "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_crosscohort_20261002/generated_masked/ye2026_sepsis/hoL_ye2026_sepsis/xcalL_K1000.npz",
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+ "source_sha256": "ef516022b53748792448792f9e69475ca5d34164790ed5f9e62763f9560776f3"
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+ },
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+ "model": {
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+ "scanvi_model_dir": "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/aifi_scanvi_rebuild_20260916/runs/aifi_scanvi_f01common_v1/scanvi_model",
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+ "model_pt_sha256": "bf3655899e5abee435340fc008656c4a17342da0f30b70cfd43de8e9223e1930",
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+ "model_manifest": "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/aifi_scanvi_rebuild_20260916/runs/aifi_scanvi_f01common_v1/MODEL_MANIFEST.json",
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+ "held_out_summary": {
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+ "l2_accuracy": 0.8692869740488788,
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+ "l2_macro_f1": 0.8500925599737216,
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+ "l1_accuracy": 0.9918367346938776,
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+ "l1_macro_f1": 0.9715232379009036,
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+ "pbmc5_other_accuracy": 0.9920886873267826,
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+ "pbmc5_other_macro_f1": 0.9812088972148597
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+ }
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+ },
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+ "label_counts": {
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+ "celltype_l1_pred": {
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+ "T cell": 57674,
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+ "Monocyte": 32509,
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+ "B cell": 17496,
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+ "NK cell": 11771,
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+ "Other": 2743,
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+ "DC": 807
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+ },
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+ "aifi_l1": {
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+ "T cell": 57674,
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+ "Monocyte": 32509,
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+ "B cell": 17496,
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+ "NK cell": 11771,
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+ "Platelet": 1174,
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+ "Erythrocyte": 861,
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+ "DC": 807,
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+ "Progenitor cell": 440,
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+ "ILC": 268
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+ },
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+ "aifi_l2": {
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+ "CD14 monocyte": 25070,
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+ "Memory CD8 T cell": 24816,
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+ "Naive B cell": 9323,
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+ "CD56dim NK cell": 9287,
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+ "gdT": 9104,
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+ "Memory CD4 T cell": 6883,
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+ "Naive CD4 T cell": 6582,
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+ "Intermediate monocyte": 6047,
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+ "Naive CD8 T cell": 3584,
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+ "Effector B cell": 3103,
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+ "Memory B cell": 2871,
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+ "DN T cell": 2371,
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+ "Treg": 2052,
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+ "Proliferating NK cell": 1660,
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+ "CD16 monocyte": 1392,
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+ "Plasma cell": 1376,
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+ "Platelet": 1174,
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+ "MAIT": 978,
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+ "Erythrocyte": 861,
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+ "CD56bright NK cell": 824,
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+ "Transitional B cell": 823,
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+ "CD8aa": 708,
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+ "cDC2": 654,
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+ "Proliferating T cell": 596,
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+ "Progenitor cell": 440,
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+ "ILC": 268,
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+ "pDC": 118,
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+ "cDC1": 25,
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+ "ASDC": 10
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+ }
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+ },
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+ "confidence": {
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+ "mean_l2_max_prob": 0.9375362153139298,
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+ "mean_l1_mass": 0.9841024875640869,
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+ "frac_l2_max_prob_ge_0.5": 0.9812520325203252
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+ },
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+ "timings_s": {
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+ "predict": 0.9,
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+ "total": 1.7
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+ },
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+ "versions": {
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+ "scvi-tools": "1.4.1",
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+ "torch": "2.11.0+cu130",
152
+ "anndata": "0.12.19"
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+ },
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+ "device": "cpu",
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+ "created_at_utc": "2026-10-05T10:26:27.597782+00:00"
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+ }
paper-releases/pbisc-diffusion/updates/20261005T133325Z-deck-scratch-samepairs-tracking/diffusion/dataset/server_1/model8/plans/paired_crosscohort_20261002/scores_masked/ye2026_sepsis/xcalL_K1000/contrast.csv ADDED
@@ -0,0 +1,14 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ arm,celltype,statistic,n_genes,r_generated,r_broadcast,partial_r_generated_given_broadcast,r_generated_vs_broadcast,n_case_donors_obs,n_control_donors_obs,n_case_donors_gen,n_control_donors_gen,n_cells_obs,n_cells_gen,deg_scored,top50_overlap,top50_jaccard,obs_top_list_size,gen_top_list_size,n_sig_obs,n_sig_gen,top50_overlap_broadcast,top50_jaccard_broadcast,broadcast_top_list_size,n_sig_broadcast
2
+ xcalL_K1000,T cell,mean_cp10k,3258,0.05627544679846157,0.2417280392439751,-0.02050007691127722,0.31101491183217883,61,21,61,21,298117,57674,,,,,,,,,,,
3
+ xcalL_K1000,T cell,pseudobulk_log1p_cpm,3258,0.1558048510564581,0.21842986671424938,0.07422734836639464,0.41097799017014486,61,21,61,21,298117,57674,,,,,,,,,,,
4
+ xcalL_K1000,B cell,mean_cp10k,3310,0.14694432575237432,0.27652248568893345,0.08091701026075308,0.2598472854525099,61,21,61,21,99729,17496,,,,,,,,,,,
5
+ xcalL_K1000,B cell,pseudobulk_log1p_cpm,3310,0.2128052559867798,0.2766567545456621,0.1484568988172587,0.2731468692632431,61,21,61,21,99729,17496,,,,,,,,,,,
6
+ xcalL_K1000,Monocyte,mean_cp10k,3289,0.20638200160135267,0.5887447215431866,0.08132622220068925,0.2422135300656274,61,21,60,21,111269,32509,,,,,,,,,,,
7
+ xcalL_K1000,Monocyte,pseudobulk_log1p_cpm,3289,0.1377099791029595,0.6208124073714443,-0.09504346483962818,0.334911445045998,61,21,60,21,111269,32509,,,,,,,,,,,
8
+ xcalL_K1000,NK cell,mean_cp10k,3240,-0.023935585548446603,0.16207395037992536,-0.07618425739904247,0.2954533760541212,61,21,61,21,47832,11771,,,,,,,,,,,
9
+ xcalL_K1000,NK cell,pseudobulk_log1p_cpm,3240,-0.06324276116255552,0.05311099002810362,-0.08283174254191039,0.29656618824951697,61,21,61,21,47832,11771,,,,,,,,,,,
10
+ xcalL_K1000,T cell,welch_top50_deg,5975,,,,,61,21,61,21,298117,57674,True,1,0.010101010101010102,50,50,1578,171,4,0.041666666666666664,50,1714
11
+ xcalL_K1000,B cell,welch_top50_deg,5975,,,,,61,21,61,21,99729,17496,True,1,0.010101010101010102,50,50,1102,323,3,0.030927835051546393,50,1714
12
+ xcalL_K1000,Monocyte,welch_top50_deg,5975,,,,,61,21,60,21,111269,32509,True,8,0.08695652173913043,50,50,2459,524,14,0.16279069767441862,50,1714
13
+ xcalL_K1000,NK cell,welch_top50_deg,5975,,,,,61,21,61,21,47832,11771,True,0,0.0,50,50,1235,68,4,0.041666666666666664,50,1714
14
+ xcalL_K1000,DC,welch_top50_deg,5975,,,,,57,21,59,21,3300,807,True,0,0.0,50,0,1572,0,2,0.02040816326530612,50,1714