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paper-releases/pbisc-diffusion/updates/20261008T022410Z-deconv-scsemi-deck/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/giroux2022/scsemi_cv_20261002/fold0/README.md ADDED
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1
+ # score_ft.py output: giroux2022, 4 scored donors
2
+
3
+ Arms: scsemi__raw. Every arm is scored on the same donors against the same observed reference.
4
+
5
+ ## Inputs and fixed contracts
6
+ - Observed reference: `/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scoring_cache/giroux2022/reference.npz` (sha dd0152f7bde4), built from datadir:/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/data/giroux2022;
7
+ 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/giroux2022/observed_labels/labels/labels.parquet.
8
+ - Generated cells: `generated_counts` read out once with Poisson(seed 20260916) over the **whole NPZ in row order**
9
+ (`poisson_readout.poisson_integerise`), then the scored donors' rows. These integer counts are used for labels, embedding,
10
+ depth and the contrast. Pseudobulk uses the summed `generated_counts` (rates), as `score_generated.py`.
11
+ - 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 =
12
+ the 1,006-gene annotation list minus genes the dataset's sc assay did not measure in every sample (1006 genes).
13
+ - Scoring genes: 6k panel genes measured by both assays in every sample of the dataset (5563 genes).
14
+
15
+ ## Definitions
16
+ 1. **Composition**: fraction of each donor's cells per six-type label (all generated cells; all observed QC cells).
17
+ `comp_l1` = sum over the six labels of |generated - observed| (immicro_common.l1). `comp_l1_obs_loo_null` = L1 of the
18
+ donor's observed composition to the mean of the *other scored donors'* observed compositions. `composition_top1` =
19
+ fraction of donors whose generated composition is closest (L1) to their own observed composition.
20
+ 2. **Pseudobulk**: `pb_r` = Pearson r of CPM-log1p(summed generated_counts) vs CPM-log1p(observed pseudobulk) on the scoring
21
+ genes (evaluate_realbulk.cpm_log1p / paired_r). `pb_top1` = the donor's generated pseudobulk is closest (Pearson) to its own
22
+ observed pseudobulk among the 4 scored donors (immicro_common.retrieval = evaluate_realbulk.top1 arithmetic).
23
+ 3. **Precision / coverage / density** (stage_b_embed.py functions): per-cell CP10K over the scoring genes + log1p; PCA-50
24
+ (randomized, random_state 20260925) and k = 10 real-real k-NN balls fitted on **R1 of the scored donors only**.
25
+ Reference rule (independent of fold and arm): per donor, cells in canonical order (library_id+barcode), one
26
+ permutation from `default_rng([20260925, uint64(sha256(donor)[:8])])`; R1 = first n, R2 = next n,
27
+ n = min(150, n_cells // 2) (600 R1 cells here). Generated query: per donor n cells (the donor's R1 size),
28
+ without replacement, `default_rng([20260926, same key])`. Precision = fraction of generated cells inside any R1 ball
29
+ (Kynkaanniemi 2019); coverage = fraction of R1 cells whose ball holds a generated cell; density = Naeem 2020.
30
+ Per-donor precision = that donor's generated cells; per-donor coverage = that donor's R1 cells (the pooled values are
31
+ their n-weighted means; plain means when every donor has 150 reference cells). R2 (held-out real cells of the same donors) is the
32
+ perfect-generator control: precision 1.0000, coverage 1.0000.
33
+ **Depth matched**: stage_b_embed depth matching run pairwise (R1 vs this arm): per donor and within-donor rank of detected
34
+ genes, both cells are thinned by UMI sampling without replacement to the smaller detected-gene count; PCA kept from
35
+ un-thinned R1, radii recomputed on thinned R1; fresh rng(20260929) per arm. R2 control: precision
36
+ 1.0000, coverage 1.0000.
37
+ 4. **Monocyte %** = 100 x Monocyte fraction (all cells) per donor; **median UMI per cell** = median over cells of the
38
+ Poisson-read (generated) / observed counts summed over the scoring genes (per donor, and pooled).
39
+ 5. **Group contrast** (T, B, Monocyte, NK): case groups ['severe'] (n = 2) vs control groups ['mild'] (n = 2); rule: explicit --case-groups / --control-groups; groups from features groups.
40
+ Genes per type = scoring genes detected (count > 0) in >= 1 % of the scored donors' observed
41
+ cells of that type. Primary statistic `mean_cp10k`: per-cell CP10K over the scoring genes; per donor the mean over its
42
+ cells of the type (donors with >= 1 such cell); group mean = mean over the group's donors (donor-balanced);
43
+ logFC = log2(case mean + 1) - log2(control mean + 1). Secondary `pseudobulk_log1p_cpm`: the SLE benchmark evaluator's
44
+ statistic (donor x type summed counts, log1p CPM over the scoring genes, mean case - mean control;
45
+ evaluate_generated_vs_truth.group_log_fold_change). Both are computed on the generated cells (their frozen labels) and on
46
+ the observed cells; `r_generated` = Pearson r of the two logFC vectors. Broadcast baseline `r_broadcast`: the same
47
+ observed vector against the logFC of the input bulk (condition NPZ `bulk_counts` of the arm, scoring genes, per-donor
48
+ CP10K resp. log1p CPM, group means). `partial_r_generated_given_broadcast`: r of the OLS residuals of observed and
49
+ generated logFC on the bulk logFC (residual_specificity.py).
50
+ 6. **Top-50 DEG overlap** (contrast.csv rows `statistic = welch_top50_deg`; summary `deg_top50`): the SLE benchmark's score (`total_top50_overlap` of
51
+ `bulk2sc-paper/scripts/evaluate_generated_vs_truth.py`, Welch backend: the "top-50 DEG 81 / 84" of the final model), run
52
+ with the evaluator's own functions on the same donor x type pseudobulks as the contrast. Per cell type, observed and
53
+ generated separately: donor x type summed counts on all 5563 scoring genes (donors of the two groups with
54
+ >= 1 cell of the type) -> `welch_bh_deg` (log1p CPM, two-sided Welch t-test case vs control, Benjamini-Hochberg over the
55
+ genes with a defined p-value; needs >= 2 donors per group) -> `top_deg_genes` (FDR < 0.05, descending |logFC|,
56
+ first 50; shorter when fewer genes pass). `top50_overlap` = |observed list & generated list|; `top50_jaccard`
57
+ the evaluator's Jaccard. Summary `sum` = total over the scored types (the quantity reported as 81), `max` = the sum of
58
+ the observed list lengths (the "of 262"), `sum_4type` = T + B + Monocyte + NK. A type is scored when its observed test
59
+ 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
60
+ (aggregates: /home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scoring_cache/giroux2022/deg_reference.npz).
61
+ **Broadcast analogue** (`top50_overlap_broadcast`, as `sle_broadcast.py` `broadcast_input_bulk`; not part of the
62
+ published benchmark): the same test on the arm's condition bulk_counts (scoring genes, the 2 + 2
63
+ donors), one whole-PBMC top-50 list, compared with every type's observed list.
64
+
65
+ ## Files
66
+ - `per_donor.csv`: one row per arm x donor (all per-donor quantities above).
67
+ - `summary.json`: per arm the donor means / pooled values, provenance (NPZ sha, receipt check, generation metadata,
68
+ Poisson nnz of the whole NPZ, annotation contract), and the reference block (PCA, R2 control).
69
+ - `contrast.csv`: per arm x cell type x statistic (`mean_cp10k`, `pseudobulk_log1p_cpm`: logFC r; `welch_top50_deg`:
70
+ top-50 DEG overlap, T / B / Monocyte / NK / DC; columns of the other kind are empty).
71
+ - `arms/<arm>/labels/` (predict_scanvi.py labels + manifest), `arms/<arm>/generated_cells.parquet` (NPZ row, donor, label,
72
+ UMI on the scoring genes, P/C subsample flag), `arms/<arm>/deg_top50_lists.csv` (observed, generated and broadcast
73
+ top-50 gene lists, Ensembl ids, rank order).
paper-releases/pbisc-diffusion/updates/20261008T022410Z-deconv-scsemi-deck/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/giroux2022/scsemi_cv_20261002/fold1/README.md ADDED
@@ -0,0 +1,73 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ # score_ft.py output: giroux2022, 5 scored donors
2
+
3
+ Arms: scsemi__raw. Every arm is scored on the same donors against the same observed reference.
4
+
5
+ ## Inputs and fixed contracts
6
+ - Observed reference: `/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scoring_cache/giroux2022/reference.npz` (sha dd0152f7bde4), built from datadir:/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/data/giroux2022;
7
+ 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/giroux2022/observed_labels/labels/labels.parquet.
8
+ - Generated cells: `generated_counts` read out once with Poisson(seed 20260916) over the **whole NPZ in row order**
9
+ (`poisson_readout.poisson_integerise`), then the scored donors' rows. These integer counts are used for labels, embedding,
10
+ depth and the contrast. Pseudobulk uses the summed `generated_counts` (rates), as `score_generated.py`.
11
+ - 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 =
12
+ the 1,006-gene annotation list minus genes the dataset's sc assay did not measure in every sample (1006 genes).
13
+ - Scoring genes: 6k panel genes measured by both assays in every sample of the dataset (5563 genes).
14
+
15
+ ## Definitions
16
+ 1. **Composition**: fraction of each donor's cells per six-type label (all generated cells; all observed QC cells).
17
+ `comp_l1` = sum over the six labels of |generated - observed| (immicro_common.l1). `comp_l1_obs_loo_null` = L1 of the
18
+ donor's observed composition to the mean of the *other scored donors'* observed compositions. `composition_top1` =
19
+ fraction of donors whose generated composition is closest (L1) to their own observed composition.
20
+ 2. **Pseudobulk**: `pb_r` = Pearson r of CPM-log1p(summed generated_counts) vs CPM-log1p(observed pseudobulk) on the scoring
21
+ genes (evaluate_realbulk.cpm_log1p / paired_r). `pb_top1` = the donor's generated pseudobulk is closest (Pearson) to its own
22
+ observed pseudobulk among the 5 scored donors (immicro_common.retrieval = evaluate_realbulk.top1 arithmetic).
23
+ 3. **Precision / coverage / density** (stage_b_embed.py functions): per-cell CP10K over the scoring genes + log1p; PCA-50
24
+ (randomized, random_state 20260925) and k = 10 real-real k-NN balls fitted on **R1 of the scored donors only**.
25
+ Reference rule (independent of fold and arm): per donor, cells in canonical order (library_id+barcode), one
26
+ permutation from `default_rng([20260925, uint64(sha256(donor)[:8])])`; R1 = first n, R2 = next n,
27
+ n = min(150, n_cells // 2) (750 R1 cells here). Generated query: per donor n cells (the donor's R1 size),
28
+ without replacement, `default_rng([20260926, same key])`. Precision = fraction of generated cells inside any R1 ball
29
+ (Kynkaanniemi 2019); coverage = fraction of R1 cells whose ball holds a generated cell; density = Naeem 2020.
30
+ Per-donor precision = that donor's generated cells; per-donor coverage = that donor's R1 cells (the pooled values are
31
+ their n-weighted means; plain means when every donor has 150 reference cells). R2 (held-out real cells of the same donors) is the
32
+ perfect-generator control: precision 1.0000, coverage 1.0000.
33
+ **Depth matched**: stage_b_embed depth matching run pairwise (R1 vs this arm): per donor and within-donor rank of detected
34
+ genes, both cells are thinned by UMI sampling without replacement to the smaller detected-gene count; PCA kept from
35
+ un-thinned R1, radii recomputed on thinned R1; fresh rng(20260929) per arm. R2 control: precision
36
+ 1.0000, coverage 1.0000.
37
+ 4. **Monocyte %** = 100 x Monocyte fraction (all cells) per donor; **median UMI per cell** = median over cells of the
38
+ Poisson-read (generated) / observed counts summed over the scoring genes (per donor, and pooled).
39
+ 5. **Group contrast** (T, B, Monocyte, NK): case groups ['severe'] (n = 3) vs control groups ['mild'] (n = 2); rule: explicit --case-groups / --control-groups; groups from features groups.
40
+ Genes per type = scoring genes detected (count > 0) in >= 1 % of the scored donors' observed
41
+ cells of that type. Primary statistic `mean_cp10k`: per-cell CP10K over the scoring genes; per donor the mean over its
42
+ cells of the type (donors with >= 1 such cell); group mean = mean over the group's donors (donor-balanced);
43
+ logFC = log2(case mean + 1) - log2(control mean + 1). Secondary `pseudobulk_log1p_cpm`: the SLE benchmark evaluator's
44
+ statistic (donor x type summed counts, log1p CPM over the scoring genes, mean case - mean control;
45
+ evaluate_generated_vs_truth.group_log_fold_change). Both are computed on the generated cells (their frozen labels) and on
46
+ the observed cells; `r_generated` = Pearson r of the two logFC vectors. Broadcast baseline `r_broadcast`: the same
47
+ observed vector against the logFC of the input bulk (condition NPZ `bulk_counts` of the arm, scoring genes, per-donor
48
+ CP10K resp. log1p CPM, group means). `partial_r_generated_given_broadcast`: r of the OLS residuals of observed and
49
+ generated logFC on the bulk logFC (residual_specificity.py).
50
+ 6. **Top-50 DEG overlap** (contrast.csv rows `statistic = welch_top50_deg`; summary `deg_top50`): the SLE benchmark's score (`total_top50_overlap` of
51
+ `bulk2sc-paper/scripts/evaluate_generated_vs_truth.py`, Welch backend: the "top-50 DEG 81 / 84" of the final model), run
52
+ with the evaluator's own functions on the same donor x type pseudobulks as the contrast. Per cell type, observed and
53
+ generated separately: donor x type summed counts on all 5563 scoring genes (donors of the two groups with
54
+ >= 1 cell of the type) -> `welch_bh_deg` (log1p CPM, two-sided Welch t-test case vs control, Benjamini-Hochberg over the
55
+ genes with a defined p-value; needs >= 2 donors per group) -> `top_deg_genes` (FDR < 0.05, descending |logFC|,
56
+ first 50; shorter when fewer genes pass). `top50_overlap` = |observed list & generated list|; `top50_jaccard`
57
+ the evaluator's Jaccard. Summary `sum` = total over the scored types (the quantity reported as 81), `max` = the sum of
58
+ the observed list lengths (the "of 262"), `sum_4type` = T + B + Monocyte + NK. A type is scored when its observed test
59
+ 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
60
+ (aggregates: /home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scoring_cache/giroux2022/deg_reference.npz).
61
+ **Broadcast analogue** (`top50_overlap_broadcast`, as `sle_broadcast.py` `broadcast_input_bulk`; not part of the
62
+ published benchmark): the same test on the arm's condition bulk_counts (scoring genes, the 3 + 2
63
+ donors), one whole-PBMC top-50 list, compared with every type's observed list.
64
+
65
+ ## Files
66
+ - `per_donor.csv`: one row per arm x donor (all per-donor quantities above).
67
+ - `summary.json`: per arm the donor means / pooled values, provenance (NPZ sha, receipt check, generation metadata,
68
+ Poisson nnz of the whole NPZ, annotation contract), and the reference block (PCA, R2 control).
69
+ - `contrast.csv`: per arm x cell type x statistic (`mean_cp10k`, `pseudobulk_log1p_cpm`: logFC r; `welch_top50_deg`:
70
+ top-50 DEG overlap, T / B / Monocyte / NK / DC; columns of the other kind are empty).
71
+ - `arms/<arm>/labels/` (predict_scanvi.py labels + manifest), `arms/<arm>/generated_cells.parquet` (NPZ row, donor, label,
72
+ UMI on the scoring genes, P/C subsample flag), `arms/<arm>/deg_top50_lists.csv` (observed, generated and broadcast
73
+ top-50 gene lists, Ensembl ids, rank order).
paper-releases/pbisc-diffusion/updates/20261008T022410Z-deconv-scsemi-deck/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/giroux2022/scsemi_cv_20261002/fold2/README.md ADDED
@@ -0,0 +1,73 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ # score_ft.py output: giroux2022, 6 scored donors
2
+
3
+ Arms: scsemi__raw. Every arm is scored on the same donors against the same observed reference.
4
+
5
+ ## Inputs and fixed contracts
6
+ - Observed reference: `/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scoring_cache/giroux2022/reference.npz` (sha dd0152f7bde4), built from datadir:/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/data/giroux2022;
7
+ 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/giroux2022/observed_labels/labels/labels.parquet.
8
+ - Generated cells: `generated_counts` read out once with Poisson(seed 20260916) over the **whole NPZ in row order**
9
+ (`poisson_readout.poisson_integerise`), then the scored donors' rows. These integer counts are used for labels, embedding,
10
+ depth and the contrast. Pseudobulk uses the summed `generated_counts` (rates), as `score_generated.py`.
11
+ - 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 =
12
+ the 1,006-gene annotation list minus genes the dataset's sc assay did not measure in every sample (1006 genes).
13
+ - Scoring genes: 6k panel genes measured by both assays in every sample of the dataset (5563 genes).
14
+
15
+ ## Definitions
16
+ 1. **Composition**: fraction of each donor's cells per six-type label (all generated cells; all observed QC cells).
17
+ `comp_l1` = sum over the six labels of |generated - observed| (immicro_common.l1). `comp_l1_obs_loo_null` = L1 of the
18
+ donor's observed composition to the mean of the *other scored donors'* observed compositions. `composition_top1` =
19
+ fraction of donors whose generated composition is closest (L1) to their own observed composition.
20
+ 2. **Pseudobulk**: `pb_r` = Pearson r of CPM-log1p(summed generated_counts) vs CPM-log1p(observed pseudobulk) on the scoring
21
+ genes (evaluate_realbulk.cpm_log1p / paired_r). `pb_top1` = the donor's generated pseudobulk is closest (Pearson) to its own
22
+ observed pseudobulk among the 6 scored donors (immicro_common.retrieval = evaluate_realbulk.top1 arithmetic).
23
+ 3. **Precision / coverage / density** (stage_b_embed.py functions): per-cell CP10K over the scoring genes + log1p; PCA-50
24
+ (randomized, random_state 20260925) and k = 10 real-real k-NN balls fitted on **R1 of the scored donors only**.
25
+ Reference rule (independent of fold and arm): per donor, cells in canonical order (library_id+barcode), one
26
+ permutation from `default_rng([20260925, uint64(sha256(donor)[:8])])`; R1 = first n, R2 = next n,
27
+ n = min(150, n_cells // 2) (900 R1 cells here). Generated query: per donor n cells (the donor's R1 size),
28
+ without replacement, `default_rng([20260926, same key])`. Precision = fraction of generated cells inside any R1 ball
29
+ (Kynkaanniemi 2019); coverage = fraction of R1 cells whose ball holds a generated cell; density = Naeem 2020.
30
+ Per-donor precision = that donor's generated cells; per-donor coverage = that donor's R1 cells (the pooled values are
31
+ their n-weighted means; plain means when every donor has 150 reference cells). R2 (held-out real cells of the same donors) is the
32
+ perfect-generator control: precision 1.0000, coverage 1.0000.
33
+ **Depth matched**: stage_b_embed depth matching run pairwise (R1 vs this arm): per donor and within-donor rank of detected
34
+ genes, both cells are thinned by UMI sampling without replacement to the smaller detected-gene count; PCA kept from
35
+ un-thinned R1, radii recomputed on thinned R1; fresh rng(20260929) per arm. R2 control: precision
36
+ 1.0000, coverage 1.0000.
37
+ 4. **Monocyte %** = 100 x Monocyte fraction (all cells) per donor; **median UMI per cell** = median over cells of the
38
+ Poisson-read (generated) / observed counts summed over the scoring genes (per donor, and pooled).
39
+ 5. **Group contrast** (T, B, Monocyte, NK): case groups ['severe'] (n = 3) vs control groups ['mild'] (n = 3); rule: explicit --case-groups / --control-groups; groups from features groups.
40
+ Genes per type = scoring genes detected (count > 0) in >= 1 % of the scored donors' observed
41
+ cells of that type. Primary statistic `mean_cp10k`: per-cell CP10K over the scoring genes; per donor the mean over its
42
+ cells of the type (donors with >= 1 such cell); group mean = mean over the group's donors (donor-balanced);
43
+ logFC = log2(case mean + 1) - log2(control mean + 1). Secondary `pseudobulk_log1p_cpm`: the SLE benchmark evaluator's
44
+ statistic (donor x type summed counts, log1p CPM over the scoring genes, mean case - mean control;
45
+ evaluate_generated_vs_truth.group_log_fold_change). Both are computed on the generated cells (their frozen labels) and on
46
+ the observed cells; `r_generated` = Pearson r of the two logFC vectors. Broadcast baseline `r_broadcast`: the same
47
+ observed vector against the logFC of the input bulk (condition NPZ `bulk_counts` of the arm, scoring genes, per-donor
48
+ CP10K resp. log1p CPM, group means). `partial_r_generated_given_broadcast`: r of the OLS residuals of observed and
49
+ generated logFC on the bulk logFC (residual_specificity.py).
50
+ 6. **Top-50 DEG overlap** (contrast.csv rows `statistic = welch_top50_deg`; summary `deg_top50`): the SLE benchmark's score (`total_top50_overlap` of
51
+ `bulk2sc-paper/scripts/evaluate_generated_vs_truth.py`, Welch backend: the "top-50 DEG 81 / 84" of the final model), run
52
+ with the evaluator's own functions on the same donor x type pseudobulks as the contrast. Per cell type, observed and
53
+ generated separately: donor x type summed counts on all 5563 scoring genes (donors of the two groups with
54
+ >= 1 cell of the type) -> `welch_bh_deg` (log1p CPM, two-sided Welch t-test case vs control, Benjamini-Hochberg over the
55
+ genes with a defined p-value; needs >= 2 donors per group) -> `top_deg_genes` (FDR < 0.05, descending |logFC|,
56
+ first 50; shorter when fewer genes pass). `top50_overlap` = |observed list & generated list|; `top50_jaccard`
57
+ the evaluator's Jaccard. Summary `sum` = total over the scored types (the quantity reported as 81), `max` = the sum of
58
+ the observed list lengths (the "of 262"), `sum_4type` = T + B + Monocyte + NK. A type is scored when its observed test
59
+ 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
60
+ (aggregates: /home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scoring_cache/giroux2022/deg_reference.npz).
61
+ **Broadcast analogue** (`top50_overlap_broadcast`, as `sle_broadcast.py` `broadcast_input_bulk`; not part of the
62
+ published benchmark): the same test on the arm's condition bulk_counts (scoring genes, the 3 + 3
63
+ donors), one whole-PBMC top-50 list, compared with every type's observed list.
64
+
65
+ ## Files
66
+ - `per_donor.csv`: one row per arm x donor (all per-donor quantities above).
67
+ - `summary.json`: per arm the donor means / pooled values, provenance (NPZ sha, receipt check, generation metadata,
68
+ Poisson nnz of the whole NPZ, annotation contract), and the reference block (PCA, R2 control).
69
+ - `contrast.csv`: per arm x cell type x statistic (`mean_cp10k`, `pseudobulk_log1p_cpm`: logFC r; `welch_top50_deg`:
70
+ top-50 DEG overlap, T / B / Monocyte / NK / DC; columns of the other kind are empty).
71
+ - `arms/<arm>/labels/` (predict_scanvi.py labels + manifest), `arms/<arm>/generated_cells.parquet` (NPZ row, donor, label,
72
+ UMI on the scoring genes, P/C subsample flag), `arms/<arm>/deg_top50_lists.csv` (observed, generated and broadcast
73
+ top-50 gene lists, Ensembl ids, rank order).
paper-releases/pbisc-diffusion/updates/20261008T022410Z-deconv-scsemi-deck/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/giroux2022/scsemi_cv_20261002/pooled/summary.json ADDED
@@ -0,0 +1,529 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "schema": "paired_ft_scores.v1",
3
+ "dataset": "giroux2022",
4
+ "written_utc": "2026-10-08T01:56:55.514346+00:00",
5
+ "command": [
6
+ "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/tools/score_ft.py",
7
+ "--dataset",
8
+ "giroux2022",
9
+ "--out",
10
+ "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scores/giroux2022/scsemi_cv_20261002/pooled",
11
+ "--threads",
12
+ "8",
13
+ "--arm",
14
+ "scsemi__raw=/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/generated/giroux2022/pooled_scsemi_cv_20261002/scsemi__raw.npz",
15
+ "--case-groups",
16
+ "severe",
17
+ "--control-groups",
18
+ "mild"
19
+ ],
20
+ "arms": [
21
+ "scsemi__raw"
22
+ ],
23
+ "donors": [
24
+ "450905_d0",
25
+ "450905_d14",
26
+ "0B943B_d0",
27
+ "0B943B_d14",
28
+ "7085CA_d0",
29
+ "7085CA_d7",
30
+ "7085CA_d14",
31
+ "2AD75E_d0",
32
+ "2AD75E_d7",
33
+ "2AD75E_d14",
34
+ "B85D75_d0",
35
+ "B85D75_d7",
36
+ "180E1A_d0",
37
+ "180E1A_d7",
38
+ "180E1A_d14",
39
+ "82CCF5_d0",
40
+ "82CCF5_d7",
41
+ "82CCF5_d14",
42
+ "BAAF62_d0",
43
+ "BAAF62_d7",
44
+ "BAAF62_d14",
45
+ "0BF51C_d0",
46
+ "0BF51C_d7",
47
+ "0BF51C_d14"
48
+ ],
49
+ "n_donors": 24,
50
+ "reference": {
51
+ "cache": "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scoring_cache/giroux2022",
52
+ "reference_sha256": "dd0152f7bde41da80e1c71dabf54ee561982f36dc99a336b65fca419880a1593",
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+ "features_sha256": "fb41b91617e3ff786d5153c4dc7869d66191ca5947ff28161d24215a24f819e5",
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+ "n_r1_cells": 3600,
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+ "pca": {
56
+ "n_components": 50,
57
+ "explained_variance_ratio_sum": 0.23158283531665802,
58
+ "n_fit_cells": 3600
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+ },
60
+ "r2_control": {
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+ "precision": 0.9980555555555556,
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+ "coverage": 1.0,
63
+ "density": 3.7886666666666664,
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+ "n_query": 3600,
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+ "depth_matched": {
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+ "precision": 0.9980555555555556,
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+ "coverage": 1.0,
68
+ "density": 3.7033611111111115
69
+ }
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+ },
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+ "observed_l1_loo_null_mean": 0.30584824369245694
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+ },
73
+ "contrast_definition": {
74
+ "enabled": true,
75
+ "rule": "explicit --case-groups / --control-groups",
76
+ "group_source": "features groups",
77
+ "case_groups": [
78
+ "severe"
79
+ ],
80
+ "control_groups": [
81
+ "mild"
82
+ ],
83
+ "n_case_donors": 11,
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+ "n_control_donors": 13,
85
+ "n_donors_in_neither": 0,
86
+ "case": [
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+ false,
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+ false,
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+ false,
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+ false,
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+ false,
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+ false,
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+ false,
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+ false,
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+ false,
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+ false,
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+ true,
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+ true,
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+ true,
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+ true,
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+ true,
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+ true,
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+ true,
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+ true,
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+ false,
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+ false,
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+ false,
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+ true,
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+ true,
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+ true
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+ ],
112
+ "ctrl": [
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+ true,
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+ true,
115
+ true,
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+ true,
117
+ true,
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+ true,
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+ true,
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+ true,
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+ true,
122
+ true,
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+ false,
124
+ false,
125
+ false,
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+ false,
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+ false,
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+ false,
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+ false,
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+ false,
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+ true,
132
+ true,
133
+ true,
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+ false,
135
+ false,
136
+ false
137
+ ],
138
+ "groups": [
139
+ "mild",
140
+ "mild",
141
+ "mild",
142
+ "mild",
143
+ "mild",
144
+ "mild",
145
+ "mild",
146
+ "mild",
147
+ "mild",
148
+ "mild",
149
+ "severe",
150
+ "severe",
151
+ "severe",
152
+ "severe",
153
+ "severe",
154
+ "severe",
155
+ "severe",
156
+ "severe",
157
+ "mild",
158
+ "mild",
159
+ "mild",
160
+ "severe",
161
+ "severe",
162
+ "severe"
163
+ ]
164
+ },
165
+ "deg_definition": {
166
+ "enabled": true,
167
+ "score": "top-50 DEG overlap per cell type (benchmark total_top50_overlap, Welch backend)",
168
+ "source": "/home/sj_server_1/PBISC/immun-pbmc-fm/bulk2sc-paper/scripts/evaluate_generated_vs_truth.py",
169
+ "functions": [
170
+ "welch_bh_deg",
171
+ "top_deg_genes",
172
+ "jaccard"
173
+ ],
174
+ "reproduces": "utility_studies_final6k_20260925/sle top-50 DEG 81 (1,006 genes) / 84 (2,279 genes) = sum over the six gated types of top50_overlap_count",
175
+ "top_n": 50,
176
+ "fdr": 0.05,
177
+ "n_genes": 5563,
178
+ "types": [
179
+ "T cell",
180
+ "B cell",
181
+ "Monocyte",
182
+ "NK cell",
183
+ "DC"
184
+ ],
185
+ "aggregates_source": "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scoring_cache/giroux2022/deg_reference.npz",
186
+ "aggregates_sha256": "412c44bba7481b0b851c3b12e695f1b7ff662163e1f7849d3a64359dfce6d50e",
187
+ "aggregates_note": null,
188
+ "types_not_scored_observed": [],
189
+ "observed": {
190
+ "T cell": {
191
+ "n_significant": 306,
192
+ "n_tested": 5354,
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+ "n_case_donors": 11,
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+ "n_control_donors": 13,
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+ "n_cells": 145034,
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+ "top_list_size": 50
197
+ },
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+ "B cell": {
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+ "n_significant": 9,
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+ "n_tested": 5142,
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+ "n_case_donors": 11,
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+ "n_control_donors": 13,
203
+ "n_cells": 17383,
204
+ "top_list_size": 9
205
+ },
206
+ "Monocyte": {
207
+ "n_significant": 7,
208
+ "n_tested": 5295,
209
+ "n_case_donors": 11,
210
+ "n_control_donors": 13,
211
+ "n_cells": 47311,
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+ "top_list_size": 7
213
+ },
214
+ "NK cell": {
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+ "n_significant": 83,
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+ "n_tested": 5159,
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+ "n_case_donors": 11,
218
+ "n_control_donors": 13,
219
+ "n_cells": 29061,
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+ "top_list_size": 50
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+ },
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+ "DC": {
223
+ "n_significant": 7,
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+ "n_tested": 4962,
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+ "n_case_donors": 11,
226
+ "n_control_donors": 13,
227
+ "n_cells": 4328,
228
+ "top_list_size": 7
229
+ }
230
+ },
231
+ "broadcast": "welch_bh_deg + top_deg_genes on the arm's condition bulk_counts (scoring genes, case|control donors), one list compared with every type's observed list (sle_broadcast.py broadcast_input_bulk); not part of the published benchmark"
232
+ },
233
+ "headline": {
234
+ "scsemi__raw": {
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+ "comp_l1": 0.24307690277174857,
236
+ "comp_l1_obs_loo_null": 0.30584824369245694,
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+ "precision": 0.8722222222222222,
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+ "coverage": 0.3541666666666667,
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+ "precision_dm": 0.3441666666666667,
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+ "coverage_dm": 0.1686111111111111,
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+ "pb_r_median": 0.6255991076366978,
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+ "pb_top1": 0.2916666666666667,
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+ "mono_pct_gen": 23.272222222222226,
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+ "mono_pct_obs": 19.247866360995445,
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+ "median_umi_gen": 472.0,
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+ "contrast_mean_cp10k_r_gen": 0.5306005525495842,
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+ "contrast_pseudobulk_log1p_cpm_r_gen": 0.3345190781897855,
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+ "contrast_mean_cp10k_r_broadcast": 0.6381052168564143,
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+ "contrast_pseudobulk_log1p_cpm_r_broadcast": 0.794738791087971,
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+ "deg_top50_T": 4,
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+ "deg_top50_B": 1,
253
+ "deg_top50_Mono": 0,
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+ "deg_top50_NK": 1,
255
+ "deg_top50_DC": 0,
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+ "deg_top50_sum": 6,
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+ "deg_top50_max": 123,
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+ "deg_top50_sum_4type": 6,
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+ "deg_top50_sum_broadcast": 39,
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+ "seconds": 6.0
261
+ }
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+ },
263
+ "per_arm": {
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+ "scsemi__raw": {
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+ "arm": "scsemi__raw",
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+ "npz": "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/generated/giroux2022/pooled_scsemi_cv_20261002/scsemi__raw.npz",
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+ "npz_sha256": "4c2f9e7c193605a0f6c5bda6a759730190e40bb3a4d4210e86c7cb0bdb9a7dd9",
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+ "receipt_verified": true,
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+ "input_condition_path": "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/generated/giroux2022/pooled_scsemi_cv_20261002/conditions_pooled_raw.npz",
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+ "input_condition_sha256": "1370617c5149f3073a520c74683a65ad36dc1052c53ce56df6fe9e9d2a868015",
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+ "seed": null,
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+ },
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+ "condition_for_broadcast": {
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+ "path": "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/generated/giroux2022/pooled_scsemi_cv_20261002/conditions_pooled_raw.npz",
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+ "sha256": "1370617c5149f3073a520c74683a65ad36dc1052c53ce56df6fe9e9d2a868015"
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+ },
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+ "poisson": {
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+ "rule": "whole NPZ, rows in NPZ order",
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+ "nnz_whole_npz": 4025738,
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+ "median_library_whole_npz_panel": 472.0,
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+ },
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+ "annotation": {
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+ "model_pt_sha256": "bf3655899e5abee435340fc008656c4a17342da0f30b70cfd43de8e9223e1930",
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+ "zero_padded_model_genes": 0,
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+ },
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+ "mean_l2_max_prob": 0.8491351462010708,
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+ },
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+ "n_donors": 24,
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+ "n_generated_cells": 36000,
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+ "composition": {
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+ "composition_top1": 0.125,
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+ "mean_fraction_generated": {
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+ "T cell": 0.554528,
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+ },
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+ "NK cell": 0.114152,
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+ }
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+ },
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+ "pseudobulk": {
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+ "n_top1": 7,
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+ "chance_top1": 0.041666666666666664
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+ },
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+ },
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+ "precision_coverage_depth_matched": {
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+ "density": 0.11599999999999999,
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+ "detected_median_before": {
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+ "Q": 110.0
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+ },
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+ "detected_median_after": {
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+ "R1": 110.0,
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+ "Q": 110.0
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+ }
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+ },
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+ "monocyte_pct": {
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+ "generated_mean_of_donor_medians": 472.0416564941406,
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+ "observed_mean_of_donor_medians": 483.6458333333333
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+ },
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+ "contrast": {
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+ "per_type": {
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+ "T cell": {
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+ },
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+ "B cell": {
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+ "partial_r_generated_given_broadcast": 0.27010482520482965,
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+ "n_genes": 3053
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+ },
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+ "Monocyte": {
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+ },
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+ "NK cell": {
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+ "partial_r_generated_given_broadcast": 0.41616911282923963,
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+ "n_genes": 2955
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+ }
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+ },
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+ "mean_r_generated": 0.5306005525495842,
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+ "mean_partial_r": 0.3945396277891009
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+ },
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+ "pseudobulk_log1p_cpm": {
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+ "per_type": {
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+ "T cell": {
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+ "r_generated": 0.48222885035463436,
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+ "r_broadcast": 0.829771536027708,
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+ "partial_r_generated_given_broadcast": 0.2547387294920712,
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+ "r_generated_vs_broadcast": 0.4261589225484577,
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+ "n_genes": 2908
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+ "B cell": {
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+ "partial_r_generated_given_broadcast": 0.07480498415972965,
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+ "n_genes": 3053
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+ "Monocyte": {
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+ "r_generated": 0.29841805289083734,
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+ "r_broadcast": 0.8460762046394,
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+ "partial_r_generated_given_broadcast": 0.15081008939555585,
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+ "r_generated_vs_broadcast": 0.26098482906040044,
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+ "n_genes": 3056
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+ },
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+ "NK cell": {
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+ "r_generated": 0.32126590272735384,
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+ "r_broadcast": 0.7735167267842559,
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+ "partial_r_generated_given_broadcast": 0.18744192685094438,
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+ "r_generated_vs_broadcast": 0.2673422678090412,
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+ "n_genes": 2955
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+ }
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+ },
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+ "mean_r_generated": 0.3345190781897855,
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