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paper-releases/pbisc-diffusion/updates/20260928T225702Z-paired-ft-scsemi-delta/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/giroux2022/fewshot_n5/draw0_scsemi5/README.md ADDED
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+ # score_ft.py output: giroux2022, 11 scored donors
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+
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+ Arms: scsemi5. 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/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;
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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/giroux2022/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 (5563 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 11 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) (1650 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 0.9988, coverage 1.0000.
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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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+ 0.9982, coverage 1.0000.
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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 ['severe'] (n = 6) vs control groups ['mild'] (n = 5); 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 5563 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/giroux2022/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 6 + 5
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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/20260928T225702Z-paired-ft-scsemi-delta/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/giroux2022/fewshot_n5/draw0_scsemi5/contrast.csv ADDED
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+ 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
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+ scsemi5,T cell,mean_cp10k,2884,0.4722392025248643,0.5530162885771299,0.3355642876447728,0.38797538667457393,6,5,6,5,59044,9284,,,,,,,,,,,
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+ scsemi5,T cell,pseudobulk_log1p_cpm,2884,0.37226163006287905,0.7491008014749582,0.16703861462904504,0.359078250633904,6,5,6,5,59044,9284,,,,,,,,,,,
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+ scsemi5,B cell,mean_cp10k,3028,0.2618496573358809,0.46079426611859237,0.15939315076066354,0.27291413318063185,6,5,6,5,9139,749,,,,,,,,,,,
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+ scsemi5,B cell,pseudobulk_log1p_cpm,3028,0.16014760499406513,0.6336532411649639,0.03548517701741822,0.2103833069432783,6,5,6,5,9139,749,,,,,,,,,,,
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+ scsemi5,Monocyte,mean_cp10k,3050,0.40339497853778705,0.6395437766126884,0.2254605912761656,0.38008110129279193,6,5,6,5,19384,4192,,,,,,,,,,,
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+ scsemi5,Monocyte,pseudobulk_log1p_cpm,3050,0.22502197267148633,0.7472442358121685,0.05683593878381537,0.2522238689049979,6,5,6,5,19384,4192,,,,,,,,,,,
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+ scsemi5,NK cell,mean_cp10k,2935,0.3516321255863767,0.4632733189911659,0.21988451783327412,0.3678886167466043,6,5,6,5,11027,1815,,,,,,,,,,,
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+ scsemi5,NK cell,pseudobulk_log1p_cpm,2935,0.1993803268280498,0.6651655681008249,0.030987243561886684,0.2662152952390908,6,5,6,5,11027,1815,,,,,,,,,,,
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+ scsemi5,T cell,welch_top50_deg,5563,,,,,6,5,6,5,59044,9284,True,1,0.07692307692307693,13,1,13,1,5,0.35714285714285715,6,6
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+ scsemi5,B cell,welch_top50_deg,5563,,,,,6,5,6,5,9139,749,True,0,0.0,11,1,11,1,5,0.4166666666666667,6,6
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+ scsemi5,Monocyte,welch_top50_deg,5563,,,,,6,5,6,5,19384,4192,True,0,0.0,6,0,6,0,5,0.7142857142857143,6,6
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+ scsemi5,NK cell,welch_top50_deg,5563,,,,,6,5,6,5,11027,1815,True,0,0.0,14,0,14,0,5,0.3333333333333333,6,6
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+ scsemi5,DC,welch_top50_deg,5563,,,,,6,5,5,5,1558,75,True,0,0.0,7,0,7,0,5,0.625,6,6
paper-releases/pbisc-diffusion/updates/20260928T225702Z-paired-ft-scsemi-delta/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/giroux2022/fewshot_n5/draw0_scsemi5/per_donor.csv ADDED
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+ arm,donor,group,n_generated_cells,n_observed_cells,n_reference_cells,gen_T cell,obs_T cell,gen_B cell,obs_B cell,gen_Monocyte,obs_Monocyte,gen_NK cell,obs_NK cell,gen_DC,obs_DC,gen_Other,obs_Other,comp_l1,comp_l1_obs_loo_null,pb_r,pb_own_rank,pb_top1,precision,coverage,precision_depth_matched,coverage_depth_matched,mono_pct_gen,mono_pct_obs,median_umi_gen,median_umi_obs
2
+ scsemi5,450905_d0,mild,1500,5914,150,0.22,0.30943523841731485,0.022,0.036185322962461956,0.5926666666666667,0.4293202570172472,0.15866666666666668,0.12089956036523504,0.002,0.009976327358809604,0.004666666666666667,0.09418329387893135,0.4022270319017022,0.652432804255913,0.6186052729693345,1,True,0.9866666666666667,0.5533333333333333,0.6466666666666666,0.4266666666666667,59.266666666666666,42.93202570172472,464.0,574.5
3
+ scsemi5,450905_d14,mild,1500,7407,150,0.48733333333333334,0.4422843256379101,0.035333333333333335,0.02929661131362225,0.232,0.27420008100445525,0.21533333333333332,0.15782368030241664,0.01,0.02983664101525584,0.02,0.06655866072633995,0.21719076549210203,0.3927979931719725,0.5858588127477107,1,True,0.9866666666666667,0.54,0.32666666666666666,0.2866666666666667,23.200000000000003,27.420008100445525,463.0,558.0
4
+ scsemi5,2AD75E_d0,mild,1500,7693,150,0.6693333333333333,0.6034056934875861,0.035333333333333335,0.06408423241908229,0.164,0.14064734173924348,0.11333333333333333,0.15949564539191471,0.0006666666666666666,0.025347718705316522,0.017333333333333333,0.007019368256856883,0.19918852636596038,0.3152895182425347,0.5885130354482038,3,False,1.0,0.5866666666666667,0.36,0.15333333333333332,16.400000000000002,14.064734173924348,464.0,532.0
5
+ scsemi5,2AD75E_d7,mild,1500,10499,150,0.696,0.5808172206876845,0.04133333333333333,0.14372797409277074,0.14066666666666666,0.10277169254214687,0.10266666666666667,0.14715687208305553,0.005333333333333333,0.013715591961139155,0.014,0.011810648633203162,0.3105342096072642,0.37510476699698597,0.6067977667803685,1,True,1.0,0.68,0.3933333333333333,0.19333333333333333,14.066666666666666,10.277169254214687,463.0,443.0
6
+ scsemi5,2AD75E_d14,mild,1500,13692,150,0.6913333333333334,0.5811422728600643,0.043333333333333335,0.12503651767455448,0.14933333333333335,0.14198071866783524,0.09,0.12496348232544552,0.008,0.016579024247735902,0.018,0.010297984224364592,0.2504913818288052,0.29971204356328646,0.59050152631441,2,False,1.0,0.76,0.42,0.22,14.933333333333335,14.198071866783524,462.0,428.0
7
+ scsemi5,82CCF5_d0,severe,1500,10125,150,0.5753333333333334,0.5422222222222223,0.11466666666666667,0.11832098765432099,0.18333333333333332,0.1539753086419753,0.108,0.09303703703703704,0.006,0.016691358024691356,0.012666666666666666,0.07575308641975309,0.15486419753086417,0.20143355104463556,0.6219784006450569,6,False,1.0,0.6066666666666667,0.2733333333333333,0.22,18.333333333333332,15.397530864197531,463.0,390.0
8
+ scsemi5,82CCF5_d7,severe,1500,10860,150,0.668,0.619060773480663,0.05533333333333333,0.09972375690607735,0.14466666666666667,0.14152854511970533,0.08466666666666667,0.09410681399631676,0.004,0.013627992633517496,0.043333333333333335,0.03195211786372008,0.1269171270718232,0.25871125560168845,0.6835041237482773,1,True,1.0,0.7333333333333333,0.24666666666666667,0.32,14.466666666666667,14.152854511970533,463.0,497.0
9
+ scsemi5,82CCF5_d14,severe,1500,11056,150,0.7006666666666667,0.6330499276410999,0.043333333333333335,0.10121201157742403,0.12666666666666668,0.11369392185238784,0.09,0.06828871201157742,0.004,0.014562228654124458,0.035333333333333335,0.0691931982633864,0.2046015436565364,0.3322264186222185,0.6843874966060203,2,False,1.0,0.6666666666666666,0.24,0.22,12.666666666666668,11.369392185238784,464.0,394.0
10
+ scsemi5,0BF51C_d0,severe,1500,6510,150,0.21466666666666667,0.4012288786482335,0.018666666666666668,0.01674347158218126,0.606,0.4609831029185868,0.158,0.07726574500768049,0.0,0.006144393241167435,0.0026666666666666666,0.03763440860215054,0.4553486943164362,0.5474367391909245,0.5956972485610744,1,True,0.9866666666666667,0.4533333333333333,0.54,0.32666666666666666,60.6,46.09831029185868,463.0,628.0
11
+ scsemi5,0BF51C_d7,severe,1500,10105,150,0.594,0.612370113805047,0.04933333333333333,0.05700148441365661,0.24533333333333332,0.1607125185551707,0.04733333333333333,0.05294408708560119,0.004666666666666667,0.0073231073725878275,0.059333333333333335,0.10964868876793667,0.16924162955632527,0.2744910969706922,0.571780081657668,6,False,1.0,0.58,0.43333333333333335,0.18,24.53333333333333,16.071251855517072,463.0,509.0
12
+ scsemi5,0BF51C_d14,severe,1500,11419,150,0.6726666666666666,0.6330676941938874,0.04066666666666666,0.07960416849111131,0.21,0.151589456169542,0.042,0.07907872843506436,0.005333333333333333,0.010508801120938787,0.029333333333333333,0.04615115158945617,0.19601903260647446,0.18889118339141198,0.6275738542306678,4,False,1.0,0.58,0.4066666666666667,0.20666666666666667,21.0,15.1589456169542,463.0,541.0
paper-releases/pbisc-diffusion/updates/20260928T225702Z-paired-ft-scsemi-delta/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/giroux2022/fewshot_n5/draw0_scsemi5/summary.json ADDED
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1
+ {
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+ "schema": "paired_ft_scores.v1",
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+ "dataset": "giroux2022",
4
+ "written_utc": "2026-09-28T19:47:21.550590+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",
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+ "--dataset",
8
+ "giroux2022",
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+ "--out",
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+ "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scores/giroux2022/fewshot_n5/draw0_scsemi5",
11
+ "--threads",
12
+ "6",
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+ "--donors",
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+ "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/data/giroux2022/fewshot_n5/draw0/test_samples.txt",
15
+ "--case-groups",
16
+ "severe",
17
+ "--control-groups",
18
+ "mild",
19
+ "--arm",
20
+ "scsemi5=/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/generated/giroux2022/fewshot_n5/draw0/scsemi5__raw.npz"
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+ ],
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+ "arms": [
23
+ "scsemi5"
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+ ],
25
+ "donors": [
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+ "450905_d0",
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+ "450905_d14",
28
+ "2AD75E_d0",
29
+ "2AD75E_d7",
30
+ "2AD75E_d14",
31
+ "82CCF5_d0",
32
+ "82CCF5_d7",
33
+ "82CCF5_d14",
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+ "0BF51C_d0",
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+ "0BF51C_d7",
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+ "0BF51C_d14"
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+ ],
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+ "n_donors": 11,
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