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Archive 4 checkpoints (1-4)

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paper-releases/pbisc-diffusion/updates/20261003T174003Z-scsemi-readout-sensitivity/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/giroux2022/fewshot_n5/draw4_scsemi5nt/README.md ADDED
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+ # score_ft.py output: giroux2022, 10 scored donors
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+
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+ Arms: scsemi5nt. 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 10 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) (1500 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 0.9993, 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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+ 0.9987, 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 = 5) 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 5 + 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/20261003T174003Z-scsemi-readout-sensitivity/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/giroux2022/fewshot_n5/draw4_scsemi5nt/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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+ scsemi5nt,T cell,mean_cp10k,2892,0.6956278272115183,0.7550828384073526,0.240532002089467,0.7944071515266988,5,5,5,5,55877,8264,,,,,,,,,,,
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+ scsemi5nt,T cell,pseudobulk_log1p_cpm,2892,0.5978184416522502,0.7802455960807625,0.10769380992395598,0.7049626751561662,5,5,5,5,55877,8264,,,,,,,,,,,
4
+ scsemi5nt,B cell,mean_cp10k,3083,0.4019248444197652,0.5987707458214633,0.10859429467058156,0.54993011986373,5,5,5,5,4890,867,,,,,,,,,,,
5
+ scsemi5nt,B cell,pseudobulk_log1p_cpm,3083,0.24744949366165842,0.6078954142745557,0.05479643928520572,0.33974296454984837,5,5,5,5,4890,867,,,,,,,,,,,
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+ scsemi5nt,Monocyte,mean_cp10k,3040,0.5638724295922614,0.5783499332800901,0.4541902755179531,0.38322155180467415,5,5,5,5,21294,3046,,,,,,,,,,,
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+ scsemi5nt,Monocyte,pseudobulk_log1p_cpm,3040,0.2028773537904757,0.7454060515768156,0.2116906277492966,0.0835184273050366,5,5,5,5,21294,3046,,,,,,,,,,,
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+ scsemi5nt,NK cell,mean_cp10k,2963,0.5305055477142399,0.6789110818845145,0.1888471552096901,0.6213904342377218,5,5,5,5,12579,2440,,,,,,,,,,,
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+ scsemi5nt,NK cell,pseudobulk_log1p_cpm,2963,0.348436121872662,0.6850741039839333,0.10241149837927231,0.4092486891149079,5,5,5,5,12579,2440,,,,,,,,,,,
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+ scsemi5nt,T cell,welch_top50_deg,5563,,,,,5,5,5,5,55877,8264,True,0,0.0,12,0,12,0,6,0.3333333333333333,12,12
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+ scsemi5nt,B cell,welch_top50_deg,5563,,,,,5,5,5,5,4890,867,True,1,0.125,8,1,8,1,6,0.42857142857142855,12,12
12
+ scsemi5nt,Monocyte,welch_top50_deg,5563,,,,,5,5,5,5,21294,3046,True,0,0.0,12,1,12,1,7,0.4117647058823529,12,12
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+ scsemi5nt,NK cell,welch_top50_deg,5563,,,,,5,5,5,5,12579,2440,True,0,0.0,17,0,17,0,6,0.2608695652173913,12,12
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+ scsemi5nt,DC,welch_top50_deg,5563,,,,,5,5,5,5,1773,105,True,0,0.0,3,0,3,0,3,0.25,12,12
paper-releases/pbisc-diffusion/updates/20261003T174003Z-scsemi-readout-sensitivity/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/giroux2022/fewshot_n5/draw4_scsemi5nt/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
+ scsemi5nt,450905_d0,mild,1500,5914,150,0.5186666666666667,0.30943523841731485,0.08333333333333333,0.036185322962461956,0.182,0.4293202570172472,0.204,0.12089956036523504,0.004,0.009976327358809604,0.008,0.09418329387893135,0.6789597565099763,0.5987967413223616,0.9326575730809996,10,False,1.0,0.7333333333333333,0.9866666666666667,0.84,18.2,42.93202570172472,484.0,574.5
3
+ scsemi5nt,450905_d14,mild,1500,7407,150,0.4726666666666667,0.4422843256379101,0.03333333333333333,0.02929661131362225,0.24133333333333334,0.27420008100445525,0.22066666666666668,0.15782368030241664,0.006666666666666667,0.02983664101525584,0.025333333333333333,0.06655866072633995,0.19452409882543542,0.33063170582174406,0.9485111493111579,3,False,1.0,0.8,1.0,0.9266666666666666,24.133333333333333,27.420008100445525,484.0,558.0
4
+ scsemi5nt,7085CA_d0,mild,1500,12585,150,0.518,0.21660707191100517,0.07133333333333333,0.024791418355184745,0.21466666666666667,0.5874453714739769,0.18733333333333332,0.13198251887167262,0.005333333333333333,0.017719507350019866,0.0033333333333333335,0.021454112038140644,0.8065713150576083,0.8949626862138647,0.9355881295500538,3,False,1.0,0.68,0.9933333333333333,0.88,21.46666666666667,58.74453714739769,484.0,640.0
5
+ scsemi5nt,7085CA_d7,mild,1500,9515,150,0.512,0.521492380451918,0.03133333333333333,0.0722017866526537,0.20666666666666667,0.10110352075669994,0.22666666666666666,0.2725170782974251,0.006666666666666667,0.019863373620599055,0.016666666666666666,0.012821860220704152,0.21881590471185847,0.4348078856615509,0.9582800946888483,1,True,1.0,0.8933333333333333,1.0,0.9133333333333333,20.666666666666668,10.110352075669994,484.0,502.0
6
+ scsemi5nt,7085CA_d14,mild,1500,11887,150,0.5166666666666667,0.472533019264743,0.03666666666666667,0.07133843694792631,0.21933333333333332,0.16210986792294102,0.198,0.24270211155043325,0.008,0.018591738874400604,0.021333333333333333,0.032724825439555814,0.20271422562463198,0.3709079832657155,0.96314592655909,2,False,1.0,0.8466666666666667,1.0,0.94,21.933333333333334,16.2109867922941,484.0,536.0
7
+ scsemi5nt,B85D75_d0,severe,1500,11441,150,0.5426666666666666,0.7173324010138974,0.015333333333333332,0.031203566121842496,0.30666666666666664,0.11441307578008915,0.116,0.06039681845992483,0.014,0.016519535005681322,0.005333333333333333,0.06013460361856481,0.4957135448533053,0.4453152798334465,0.956044333507996,1,True,1.0,0.7666666666666667,1.0,0.8,30.666666666666664,11.441307578008916,483.0,347.0
8
+ scsemi5nt,B85D75_d7,severe,1500,12328,150,0.6533333333333333,0.6435756002595717,0.07066666666666667,0.06448734587929916,0.16933333333333334,0.13741077222582737,0.07533333333333334,0.04201817001946788,0.004666666666666667,0.027741726151849447,0.02666666666666667,0.08476638546398442,0.16234955656500105,0.4045481459575713,0.949299811852943,3,False,1.0,0.8733333333333333,1.0,0.92,16.933333333333334,13.741077222582737,484.0,363.0
9
+ scsemi5nt,180E1A_d0,severe,1500,7157,150,0.6066666666666667,0.7019700992035769,0.1,0.04135811094033813,0.16133333333333333,0.13175911694844208,0.10866666666666666,0.0655302501047925,0.0033333333333333335,0.013273718038284197,0.02,0.04610870476456616,0.2627050440128545,0.4544373307053366,0.9407300367873279,4,False,0.9933333333333333,0.8133333333333334,0.9933333333333333,0.88,16.133333333333333,13.175911694844208,483.0,433.0
10
+ scsemi5nt,180E1A_d7,severe,1500,10591,150,0.5173333333333333,0.7348692285903126,0.035333333333333335,0.04909829100179398,0.208,0.09064299877254273,0.20333333333333334,0.08280615617033331,0.010666666666666666,0.010480596733075253,0.025333333333333333,0.03210272873194221,0.47614049664809754,0.5242880319872557,0.9570898916979711,1,True,1.0,0.88,1.0,0.9,20.8,9.064299877254273,484.0,408.0
11
+ scsemi5nt,180E1A_d14,severe,1500,12511,150,0.6513333333333333,0.680840860043162,0.10066666666666667,0.05147470226200943,0.12133333333333333,0.12277196067460634,0.08666666666666667,0.0800095915594277,0.006666666666666667,0.009831348413396212,0.03333333333333333,0.05507153704739829,0.1116980790237924,0.424657551112119,0.952323286153525,1,True,1.0,0.7733333333333333,1.0,0.8066666666666666,12.133333333333333,12.277196067460634,484.0,342.0
paper-releases/pbisc-diffusion/updates/20261003T174003Z-scsemi-readout-sensitivity/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/giroux2022/fewshot_n5/draw4_scsemi5nt/summary.json ADDED
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1
+ {
2
+ "schema": "paired_ft_scores.v1",
3
+ "dataset": "giroux2022",
4
+ "written_utc": "2026-10-03T15:10:01.111642+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/fewshot_n5/draw4_scsemi5nt",
11
+ "--threads",
12
+ "6",
13
+ "--donors",
14
+ "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/data/giroux2022/fewshot_n5/draw4/test_samples.txt",
15
+ "--case-groups",
16
+ "severe",
17
+ "--control-groups",
18
+ "mild",
19
+ "--arm",
20
+ "scsemi5nt=/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/generated/giroux2022/fewshot_n5/draw4/scsemi5nt__raw.npz"
21
+ ],
22
+ "arms": [
23
+ "scsemi5nt"
24
+ ],
25
+ "donors": [
26
+ "450905_d0",
27
+ "450905_d14",
28
+ "7085CA_d0",
29
+ "7085CA_d7",
30
+ "7085CA_d14",
31
+ "B85D75_d0",
32
+ "B85D75_d7",
33
+ "180E1A_d0",
34
+ "180E1A_d7",
35
+ "180E1A_d14"
36
+ ],
37
+ "n_donors": 10,
38
+ "reference": {
39
+ "cache": "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scoring_cache/giroux2022",
40
+ "reference_sha256": "dd0152f7bde41da80e1c71dabf54ee561982f36dc99a336b65fca419880a1593",
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+ "features_sha256": "fb41b91617e3ff786d5153c4dc7869d66191ca5947ff28161d24215a24f819e5",
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+ "n_r1_cells": 1500,
43
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