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Archive 4 checkpoints (1-4)

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paper-releases/pbisc-diffusion/updates/20261004T065028Z-behcet-c1q-k4000-corpus/diffusion/dataset/server_1/model8/plans/behcet_c1q_lora3_20261004/tools/build_k_conditions.py ADDED
@@ -0,0 +1,70 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #!/usr/bin/env python3
2
+ """Real-bulk conditions of data/behcet at another recipe size K (CPU only; added 2026-10-04 for the LoRA K = 4000 test).
3
+
4
+ counts = CPM(bulk on measured genes) / 1e6 x (K x DEPTH_ANCHOR), recipe_k = K: RB.to_condition_counts with RECIPE_K
5
+ replaced by K, as plans/paired_crosscohort_20261002/tools/prepare_loco.py does. Every other key is copied from
6
+ data/behcet/conditions_raw_fixed.npz (K = 1000), and the K = 1000 arithmetic is first checked byte for byte against
7
+ that file. Output: data/behcet/conditions_raw_fixed_K<K>.npz (+ entry in data/behcet/K_CONDITIONS.json).
8
+ usage: build_k_conditions.py K
9
+ """
10
+ from __future__ import annotations
11
+
12
+ import hashlib
13
+ import importlib.util
14
+ import json
15
+ import os
16
+ import sys
17
+ from pathlib import Path
18
+
19
+ if os.environ.get("CUDA_VISIBLE_DEVICES") != "":
20
+ raise SystemExit("CPU only: run with CUDA_VISIBLE_DEVICES=''")
21
+
22
+ import numpy as np
23
+
24
+ M8 = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion")
25
+ DATA = Path(__file__).resolve().parents[1] / "data" / "behcet"
26
+ BUILDER = M8 / "plans/realbulk_generation_20260922/build_realbulk_conditions.py"
27
+
28
+
29
+ def sha(p: Path) -> str:
30
+ h = hashlib.sha256()
31
+ with open(p, "rb") as f:
32
+ for b in iter(lambda: f.read(1 << 22), b""):
33
+ h.update(b)
34
+ return h.hexdigest()
35
+
36
+
37
+ def main() -> int:
38
+ k = int(sys.argv[1])
39
+ spec = importlib.util.spec_from_file_location("build_realbulk_conditions", BUILDER)
40
+ RB = importlib.util.module_from_spec(spec)
41
+ sys.modules[spec.name] = RB
42
+ spec.loader.exec_module(RB)
43
+ f = np.load(DATA / "features.npz", allow_pickle=False)
44
+ valid = f["bulk_valid"].astype(bool)
45
+ bulk = np.where(valid, f["bulk_raw"], 0.0)
46
+
47
+ def counts_at(kk: int) -> np.ndarray:
48
+ return RB.cpm(np.where(valid, bulk, 0.0)) / 1e6 * (kk * RB.DEPTH_ANCHOR)
49
+
50
+ base = np.load(DATA / "conditions_raw_fixed.npz", allow_pickle=False)
51
+ if not (int(RB.RECIPE_K) == 1000 and np.array_equal(base["bulk_counts"], counts_at(1000))
52
+ and (base["recipe_k"] == 1000).all()):
53
+ raise SystemExit("K = 1000 arithmetic does not reproduce conditions_raw_fixed.npz")
54
+ arrays = {key: base[key] for key in base.files}
55
+ arrays["bulk_counts"] = counts_at(k)
56
+ arrays["recipe_k"] = np.full(len(arrays["recipe_k"]), k, dtype=np.int64)
57
+ arrays["arm"] = np.array(f"raw_K{k}")
58
+ out = DATA / f"conditions_raw_fixed_K{k}.npz"
59
+ np.savez(out, **arrays)
60
+ rec_path = DATA / "K_CONDITIONS.json"
61
+ rec = json.loads(rec_path.read_text()) if rec_path.exists() else {}
62
+ rec[out.name] = {"k": k, "sha256": sha(out), "from": "conditions_raw_fixed.npz", "from_sha256":
63
+ sha(DATA / "conditions_raw_fixed.npz"), "k1000_check": "byte-identical", "code_sha256": sha(Path(__file__))}
64
+ rec_path.write_text(json.dumps(rec, indent=1) + "\n")
65
+ print(json.dumps(rec[out.name]))
66
+ return 0
67
+
68
+
69
+ if __name__ == "__main__":
70
+ sys.exit(main())
paper-releases/pbisc-diffusion/updates/20261004T065028Z-behcet-c1q-k4000-corpus/diffusion/dataset/server_1/model8/plans/behcet_c1q_lora3_20261004/tools/corpus_c1q.py ADDED
@@ -0,0 +1,182 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #!/usr/bin/env python3
2
+ """How common are C1Q-high monocytes in the pretraining corpus? (CPU only; user question 2026-10-04)
3
+
4
+ The final model (runs/f01_6k_1x_seed20260627) was trained on 22 datasets, 41.4 M cells
5
+ (plans/full_recipe_allcells_6k_broad_20260909/coverage_v1/shard_offsets.csv); Behçet (GSE198616) is not one of them.
6
+ This samples cells of every corpus dataset, labels them with the same frozen f01common scANVI model, and counts C1Q
7
+ genes in monocytes exactly as the Behçet scoring does, next to the Behçet observed cells.
8
+
9
+ phase extract: per dataset, up to SHARDS random training shards (base shards of shard_offsets.csv, read from the
10
+ PBISC-data copy, zarr v3 CSR on the 20,097-gene axis), BLOCKS random blocks of BLOCK consecutive cells per shard
11
+ (seed 20261004; datasets with fewer shards get more blocks per shard, ~SHARDS x BLOCKS
12
+ blocks per dataset); columns = the 6k panel (gene_positions.npy). Writes work/corpus_c1q/corpus_sample.h5ad
13
+ (obs: sample_id = dataset short id, dataset_id, shard_id, row) and SAMPLE.json.
14
+ phase analyze (after predict_scanvi on that h5ad): per dataset, monocytes = celltype_l1_pred 'Monocyte'; C1QA/B/C
15
+ (symbols resolved through the canonical gene table; the module JSON lists them) detected per monocyte; library on the
16
+ panel. Rates native, and after binomial thinning of every monocyte by one constant per dataset so that the dataset's
17
+ median monocyte library equals the Behçet observed median (datasets already below it are left as they are and
18
+ flagged). Behçet observed (GSE198616 PBMC, all 8, frozen labels of the earlier task) is scored by the same code.
19
+ Writes out/corpus_c1q.csv and prints it.
20
+ usage: corpus_c1q.py extract | analyze
21
+ """
22
+ from __future__ import annotations
23
+
24
+ import json
25
+ import os
26
+ import sys
27
+ from pathlib import Path
28
+
29
+ if os.environ.get("CUDA_VISIBLE_DEVICES") != "":
30
+ raise SystemExit("CPU only: run with CUDA_VISIBLE_DEVICES=''")
31
+
32
+ import numpy as np
33
+ import pandas as pd
34
+ import scipy.sparse as sp
35
+
36
+ M8 = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion")
37
+ PLAN = Path(__file__).resolve().parents[1]
38
+ WORK = PLAN / "work/corpus_c1q"
39
+ OUT = PLAN / "out"
40
+ SHARDS_CSV = M8 / "plans/full_recipe_allcells_6k_broad_20260909/coverage_v1/shard_offsets.csv"
41
+ ZROOT = Path("/home/sj_server_1/PBISC/PBISC-data/single-cell-data-block-blood/counts/sc_counts")
42
+ POSITIONS = M8 / "artifacts/panel_ladder_floor01_1m_20260923/tiers/6k/gene_positions.npy"
43
+ CANON = Path("/home/sj_server_1/gblee/datalake/paired-pbmc-bulk-sc/processing/strict_qc_v1_20260913/reference/"
44
+ "canonical_genes.tsv")
45
+ OBS_H5AD = M8 / "plans/behcet_c1q_repro_20260921/work/gse198616_pbmc_all8.h5ad"
46
+ OBS_LAB = M8 / "plans/utility_studies_final6k_20260925/behcet/work/scanvi_labels_real_f01common/labels.parquet"
47
+ C1Q = ("C1QA", "C1QB", "C1QC")
48
+ SHARDS, BLOCKS, BLOCK = 8, 4, 250
49
+ SEED = 20261004
50
+
51
+
52
+ def extract() -> int:
53
+ import zarr
54
+ import anndata as ad
55
+ rng = np.random.default_rng(SEED)
56
+ so = pd.read_csv(SHARDS_CSV)
57
+ so = so[~so.shard_id.str.endswith("__strict_overlay")]
58
+ canon = pd.read_csv(CANON, sep="\t", dtype=str)
59
+ gene_ids = canon.gene_id.to_numpy().astype(str)
60
+ pos = np.load(POSITIONS).astype(np.int64)
61
+ blocks, obs, info = [], [], {}
62
+ for ds, g in so.groupby("dataset_id", sort=True):
63
+ have = [s for s in g.shard_id if (ZROOT / f"{s}.zarr").exists()]
64
+ if not have:
65
+ info[ds] = {"shards_available": 0}
66
+ continue
67
+ pick = rng.choice(have, size=min(SHARDS, len(have)), replace=False)
68
+ n_ds = 0
69
+ for s in sorted(pick):
70
+ grp = zarr.open_group(str(ZROOT / f"{s}.zarr"), mode="r")
71
+ indptr = grp["indptr"][:]
72
+ n = len(indptr) - 1
73
+ mmask = grp["measurement_mask"][:].astype(bool)
74
+ nblk = max(BLOCKS, -(-SHARDS * BLOCKS // len(pick))) # ~SHARDS x BLOCKS blocks per dataset
75
+ starts = rng.choice(max(1, n - BLOCK), size=min(nblk, max(1, n // BLOCK)), replace=False)
76
+ for st in sorted(starts):
77
+ en = min(n, st + BLOCK)
78
+ a, b = int(indptr[st]), int(indptr[en])
79
+ data = grp["data"][a:b]
80
+ idx = grp["indices"][a:b]
81
+ ip = indptr[st:en + 1] - a
82
+ X = sp.csr_matrix((data.astype(np.float32), idx, ip), shape=(en - st, len(gene_ids)))
83
+ X = X[:, pos].tocsr()
84
+ blocks.append(X)
85
+ obs.append(pd.DataFrame({"sample_id": ds.split("_")[0] + "_" + ds.split("_")[1], "dataset_id": ds,
86
+ "shard_id": s, "row": np.arange(st, en),
87
+ "c1q_measured": bool(mmask[pos][np.isin(gene_ids[pos], c1q_ids(canon))].all())}))
88
+ n_ds += en - st
89
+ info[ds] = {"shards_available": len(have), "shards_used": len(pick), "cells": n_ds}
90
+ print(ds[:60], info[ds], flush=True)
91
+ X = sp.vstack(blocks).tocsr()
92
+ o = pd.concat(obs, ignore_index=True)
93
+ o.index = [f"c{i}" for i in range(len(o))]
94
+ a = ad.AnnData(X=X, obs=o, var=pd.DataFrame(index=gene_ids[pos]))
95
+ WORK.mkdir(parents=True, exist_ok=True)
96
+ a.write_h5ad(WORK / "corpus_sample.h5ad")
97
+ (WORK / "SAMPLE.json").write_text(json.dumps({"seed": SEED, "shards_per_dataset": SHARDS, "blocks_per_shard": BLOCKS,
98
+ "block_cells": BLOCK, "cells": int(X.shape[0]), "datasets": info,
99
+ "zarr_root": str(ZROOT), "shard_offsets": str(SHARDS_CSV)}, indent=1, default=int))
100
+ print("cells", X.shape)
101
+ return 0
102
+
103
+
104
+ def c1q_ids(canon: pd.DataFrame) -> np.ndarray:
105
+ ids = canon[canon.gene_symbol.isin(C1Q)].gene_id.astype(str).to_numpy()
106
+ if len(ids) != 3:
107
+ raise SystemExit("C1Q genes not found once each in the canonical table")
108
+ return ids
109
+
110
+
111
+ def rates(X: sp.csr_matrix, c1q_cols: np.ndarray, mono: np.ndarray, groups: np.ndarray, target: float | None,
112
+ rng) -> pd.DataFrame:
113
+ """Per group: monocytes, median panel library, % with >=1 / >=2 C1Q genes, native and depth-matched."""
114
+ rows = []
115
+ for g in pd.unique(groups):
116
+ m = np.flatnonzero(mono & (groups == g))
117
+ if len(m) == 0:
118
+ continue
119
+ Xm = X[m]
120
+ lib = np.asarray(Xm.sum(1)).ravel()
121
+ c = Xm[:, c1q_cols].toarray()
122
+ rec = {"group": g, "monocytes": len(m), "median_mono_lib": float(np.median(lib)),
123
+ "pct_ge1": 100 * float(((c > 0).sum(1) >= 1).mean()), "pct_ge2": 100 * float(((c > 0).sum(1) >= 2).mean())}
124
+ if target is not None:
125
+ f = min(1.0, target / rec["median_mono_lib"])
126
+ ct = rng.binomial(c.astype(np.int64), f)
127
+ rec.update({"thin_factor": f, "below_target": f >= 1.0,
128
+ "pct_ge1_matched": 100 * float(((ct > 0).sum(1) >= 1).mean()),
129
+ "pct_ge2_matched": 100 * float(((ct > 0).sum(1) >= 2).mean())})
130
+ rows.append(rec)
131
+ return pd.DataFrame(rows)
132
+
133
+
134
+ def analyze() -> int:
135
+ import anndata as ad
136
+ rng = np.random.default_rng(SEED)
137
+ canon = pd.read_csv(CANON, sep="\t", dtype=str)
138
+ ids = c1q_ids(canon)
139
+ # Behçet observed, same code, on the same 6k panel columns
140
+ pos = np.load(POSITIONS).astype(np.int64)
141
+ panel = canon.gene_id.to_numpy().astype(str)[pos]
142
+ ob = ad.read_h5ad(OBS_H5AD)
143
+ keep = np.isin(ob.var_names.astype(str), panel)
144
+ Xo = sp.csr_matrix(ob.X[:, keep])
145
+ vo = ob.var_names.astype(str)[keep]
146
+ lo = pd.read_parquet(OBS_LAB)
147
+ if len(lo) != ob.n_obs:
148
+ raise SystemExit("observed labels / cells differ")
149
+ mono_o = lo.celltype_l1_pred.to_numpy() == "Monocyte"
150
+ grp_o = np.where(ob.obs.condition.astype(str).str.contains("BD|Beh", regex=True), "Behcet_BD_obs", "Behcet_HC_obs")
151
+ cols_o = np.array([list(vo).index(i) for i in ids])
152
+ target = float(np.median(np.asarray(Xo[mono_o].sum(1)).ravel()))
153
+ obs_tab = rates(Xo, cols_o, mono_o, grp_o, target, rng)
154
+ # corpus sample
155
+ a = ad.read_h5ad(WORK / "corpus_sample.h5ad")
156
+ lab = pd.read_parquet(WORK / "scanvi_labels/labels.parquet")
157
+ if len(lab) != a.n_obs:
158
+ raise SystemExit("corpus labels / cells differ")
159
+ Xc = sp.csr_matrix(a.X)
160
+ cols = np.array([list(a.var_names.astype(str)).index(i) for i in ids])
161
+ mono_c = lab.celltype_l1_pred.to_numpy() == "Monocyte"
162
+ tab = rates(Xc, cols, mono_c, a.obs.dataset_id.astype(str).to_numpy(), target, rng)
163
+ tab["c1q_measured"] = tab.group.map(a.obs.groupby("dataset_id").c1q_measured.all())
164
+ allc = pd.concat([obs_tab.assign(source="Behcet observed (not in corpus)"), tab.assign(source="corpus")],
165
+ ignore_index=True)
166
+ OUT.mkdir(exist_ok=True)
167
+ allc.to_csv(OUT / "corpus_c1q.csv", index=False)
168
+ with pd.option_context("display.width", 220, "display.max_rows", 100):
169
+ print(f"depth target (Behçet observed median monocyte library on the panel): {target:.0f}")
170
+ print(allc[["source", "group", "monocytes", "median_mono_lib", "pct_ge1", "pct_ge2", "thin_factor",
171
+ "pct_ge1_matched", "pct_ge2_matched"]].round(3).to_string(index=False))
172
+ cc = allc[allc.source == "corpus"]
173
+ w = cc.monocytes / cc.monocytes.sum()
174
+ print(f"corpus pooled (monocyte-weighted): >=2 C1Q genes native {np.sum(w * cc.pct_ge2):.3f}%, "
175
+ f"depth-matched {np.sum(w * cc.pct_ge2_matched):.3f}%; monocytes {int(cc.monocytes.sum())}")
176
+ return 0
177
+
178
+
179
+ if __name__ == "__main__":
180
+ if len(sys.argv) != 2 or sys.argv[1] not in ("extract", "analyze"):
181
+ raise SystemExit(__doc__)
182
+ sys.exit(extract() if sys.argv[1] == "extract" else analyze())
paper-releases/pbisc-diffusion/updates/20261004T065028Z-behcet-c1q-k4000-corpus/diffusion/dataset/server_1/model8/plans/behcet_c1q_lora3_20261004/tools/run_gpu.sh ADDED
@@ -0,0 +1,104 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #!/usr/bin/env bash
2
+ # Behçet LoRA-3: train once, then sample every arm; after each arm (CPU) Poisson read-out + frozen f01common scANVI
3
+ # labels, then the NPZ moves to spark-0110 at the same path (sha-checked, <npz stem>.moved left here) so this host keeps
4
+ # >= 80 GiB free for the scSemiProfiler queue.
5
+ # GPU steps: thermal gate, then ml-run (ml.slice, shared lock /run/user/1000/ml-gpu0.lock: a step waits in flock while
6
+ # another job holds the GPU, so it interleaves with the scSemiProfiler queue and never overlaps it).
7
+ # Steps already done are skipped (RUN.json; receipt + NPZ or .moved; h5ad; labels). No retry: a failed step logs WARN
8
+ # and the runner stops.
9
+ # arms file lines: TAG|CKPT (base | lora)|CONDITION_NPZ|SEED
10
+ # env (2026-10-04, defaults = the K = 1000 study): ARMS, RUN_DIR (LoRA run dir), TRAIN_COND (training condition NPZ)
11
+ set -uo pipefail
12
+ export XDG_RUNTIME_DIR="${XDG_RUNTIME_DIR:-/run/user/$(id -u)}"
13
+ export DBUS_SESSION_BUS_ADDRESS="${DBUS_SESSION_BUS_ADDRESS:-unix:path=$XDG_RUNTIME_DIR/bus}"
14
+ M8=/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion
15
+ P=$M8/plans/behcet_c1q_lora3_20261004
16
+ FT=$M8/plans/paired_finetune_intradataset_20260927/tools/ft_sdd.py
17
+ S=$M8/plans/aifi_scanvi_rebuild_20260916
18
+ BASE=$M8/runs/f01_6k_1x_seed20260627/checkpoint_epoch_016.pt
19
+ BASE_SHA=8c7cd0e83e2bc19fe03dfcbc084919a1e2f61be8cc8bc12f4caf543dfda91633
20
+ PY=/home/sj_server_1/miniforge3/envs/b2sc-cu130/bin/python
21
+ CPY=/home/sj_server_1/miniforge3/envs/cxg_corpus/bin/python
22
+ SPY=/home/sj_server_1/miniforge3/envs/scanvi/bin/python
23
+ DATA=$P/data/behcet
24
+ RUN=${RUN_DIR:-$P/runs/lora3}
25
+ TRAIN_COND=${TRAIN_COND:-$P/data/behcet/conditions_raw_fixed.npz}
26
+ GEN=$P/generated
27
+ WORK=$P/work
28
+ ARMS=${ARMS:-$P/queues/arms.txt}
29
+ R2=spark-0110
30
+ mkdir -p "$P/logs" "$GEN" "$WORK"
31
+ LOG=$P/logs/run_gpu_$(date +%Y%m%dT%H%M%S).log
32
+ log() { echo "$(date +%FT%T) $*" | tee -a "$LOG"; }
33
+ die() { log "WARN: $*; runner stops"; exit 1; }
34
+ thermal() { until v=$(bash "$M8/plans/floor01_campaign_20260923/tools/thermal_guard.sh"); do sleep 60; done; echo "$v"; }
35
+ cpu() { # cpu NAME CMD... : bounded CPU unit (no GPU), waits for it
36
+ local name=$1; shift
37
+ systemd-run --user --unit="behcet-lora3-$name-$(date +%H%M%S)" --wait --collect --quiet -p MemoryMax=24G \
38
+ -p MemorySwapMax=0 -p CPUQuota=400% -p Nice=10 --working-directory="$P" --setenv=CUDA_VISIBLE_DEVICES= \
39
+ --setenv=PYTHONNOUSERSITE=1 --setenv=OMP_NUM_THREADS=4 --setenv=MKL_NUM_THREADS=4 --setenv=OPENBLAS_NUM_THREADS=4 \
40
+ -p StandardOutput=append:"$P/logs/$name.log" -p StandardError=append:"$P/logs/$name.log" "$@"
41
+ }
42
+
43
+ [[ "$(sha256sum "$BASE" | cut -d' ' -f1)" == "$BASE_SHA" ]] || die "base checkpoint sha"
44
+ log "runner start; arms $ARMS"
45
+
46
+ # ---- 1. LoRA-3 (fixed 3,000 steps, the LoRA-5 protocol)
47
+ if [[ ! -s $RUN/RUN.json ]]; then
48
+ mkdir -p "$RUN"
49
+ log "--- train $(basename "$RUN") on $(basename "$TRAIN_COND") ($(thermal))"
50
+ "$HOME/.local/bin/ml-run" /usr/bin/env CUDA_VISIBLE_DEVICES=0 PYTORCH_CUDA_ALLOC_CONF=expandable_segments:True \
51
+ OMP_NUM_THREADS=4 PYTHONUNBUFFERED=1 "$PY" -u "$FT" --checkpoint "$BASE" --checkpoint-sha "$BASE_SHA" \
52
+ --dataset-dir "$DATA" --condition-npz "$TRAIN_COND" --fold 0 --mode lora --lr 5e-4 \
53
+ --out-dir "$RUN" --train-donors-file "$DATA/train_donors.txt" --fixed-steps 3000 >> "$RUN/train.log" 2>&1 \
54
+ || die "train failed (see $RUN/train.log)"
55
+ log "train done: $(python3 -c "import json;d=json.load(open('$RUN/RUN.json'));print(d['steps_run'],'steps', d['wall_seconds'],'s', d['checkpoint_sha256'][:12])")"
56
+ fi
57
+ LORA=$RUN/checkpoint_ft.pt
58
+ LORA_SHA=$(python3 -c "import json;print(json.load(open('$RUN/RUN.json'))['checkpoint_sha256'])")
59
+ [[ "$(sha256sum "$LORA" | cut -d' ' -f1)" == "$LORA_SHA" ]] || die "LoRA checkpoint sha differs from RUN.json"
60
+
61
+ # ---- 2. arms
62
+ while IFS='|' read -r tag which cond seed; do
63
+ [[ -z "${tag// }" || $tag == \#* ]] && continue
64
+ if [[ $which == base ]]; then ck=$BASE; else ck=$LORA; fi
65
+ out=$GEN/$tag.npz; rec=$GEN/$tag.log; err=$GEN/$tag.err
66
+ h5=$WORK/${tag}_poisson.h5ad; lab=$WORK/scanvi_labels_${tag}_f01common
67
+ if [[ -s $rec && ( -s $out || -f $GEN/$tag.moved ) ]]; then
68
+ log "$tag sampled already"
69
+ else
70
+ log "--- sample $tag ckpt=$which seed=$seed ($(thermal))"
71
+ "$HOME/.local/bin/ml-run" /usr/bin/env CUDA_VISIBLE_DEVICES=0 PYTORCH_CUDA_ALLOC_CONF=expandable_segments:True \
72
+ PYTHONPATH="$M8/src" OMP_NUM_THREADS=4 PYTHONUNBUFFERED=1 "$PY" -u "$M8/scripts/sample_sdd_standalone.py" \
73
+ --checkpoint "$ck" --condition-npz "$cond" --output "$out" --weights ema --batch-size 256 --steps 50 \
74
+ --seed "$seed" --device cuda --conditioner-source embedded --active-logit-threshold 0.0 \
75
+ --support-readout bernoulli > "$rec" 2> "$err" || die "sample $tag failed (see $err)"
76
+ log "$tag sampled: $(python3 -c "import json;d=json.load(open('$rec'));print(d['cells'],'cells', d['output_sha256'][:12])")"
77
+ fi
78
+ if [[ ! -s $h5 ]]; then
79
+ [[ -s $out ]] || die "$tag: NPZ needed for the read-out but not here"
80
+ cpu "readout-$tag" "$CPY" "$S/poisson_readout.py" --npz "$out" --out "$h5" --seed 20260916 \
81
+ --method-name "generated_GSE198533_all19_lora3study_${tag}" --hash-input || die "$tag read-out failed"
82
+ log "$tag read-out done"
83
+ fi
84
+ if [[ ! -s $lab/labels.parquet ]]; then
85
+ systemd-run --user --unit="behcet-lora3-label-$tag-$(date +%H%M%S)" --wait --collect --quiet -p MemoryMax=24G \
86
+ -p MemorySwapMax=0 -p CPUQuota=400% -p Nice=10 --working-directory="$S" --setenv=CUDA_VISIBLE_DEVICES= \
87
+ --setenv=PYTHONNOUSERSITE=1 --setenv=OMP_NUM_THREADS=4 --setenv=MKL_NUM_THREADS=4 --setenv=OPENBLAS_NUM_THREADS=4 \
88
+ -p StandardOutput=append:"$P/logs/label-$tag.log" -p StandardError=append:"$P/logs/label-$tag.log" \
89
+ "$SPY" "$S/predict_scanvi.py" --model-dir "$S/runs/aifi_scanvi_f01common_v1/scanvi_model" --query "$h5" \
90
+ --out-dir "$lab" --device cpu --num-threads 4 --method-name "generated_GSE198533_all19_lora3study_${tag}" \
91
+ --dataset-id GSE198533 --sample-id-col sample_id || die "$tag labelling failed"
92
+ log "$tag labels done"
93
+ fi
94
+ if [[ -s $out ]]; then
95
+ want=$(python3 -c "import json;print(json.load(open('$rec'))['output_sha256'])")
96
+ ssh -n $R2 "mkdir -p '$GEN'" && rsync -a "$out" "$rec" "$err" "$R2:$GEN/" >> "$LOG" 2>&1 || die "$tag: copy to $R2"
97
+ got=$(ssh -n $R2 "sha256sum '$out'" | awk '{print $1}')
98
+ [[ $got == "$want" ]] || die "$tag: sha on $R2 differs"
99
+ python3 -c "import json,sys,datetime;json.dump({'moved_to':'$R2','path':'$out','sha256':'$want','at':datetime.datetime.now().isoformat()},open('$GEN/$tag.moved','w'),indent=1)"
100
+ rm -f "$out"
101
+ log "$tag NPZ moved to $R2 (sha checked)"
102
+ fi
103
+ done < "$ARMS"
104
+ log "runner finished"
paper-releases/pbisc-diffusion/updates/20261004T065028Z-behcet-c1q-k4000-corpus/diffusion/dataset/server_1/model8/plans/behcet_c1q_lora3_20261004/tools/summarize.py ADDED
@@ -0,0 +1,85 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #!/usr/bin/env python3
2
+ """Summary of the Behçet LoRA-3 study from out/rules_groups/per_sample_group_metrics.csv (CPU only).
3
+
4
+ Generated arms: zs_raw (base model, real bulk), zs_cal (base, bulk x alpha fitted on the 3 pairs), lora3_raw (LoRA on
5
+ the 3 pairs, real bulk); seeds s13 = 20260913 (the published Behçet seed) and s04 = 20261004.
6
+ Rows of a generated arm: train = BDV4, BDV5, BDV6 (their own cells were the LoRA training data);
7
+ test = the other 6 BD and all 10 HC bulks (never seen in training).
8
+ Observed: GSE198616 PBMC, 4 BD vs 4 HC (mostly other donors than the bulk), native depth and thinned to each base arm.
9
+ Outputs (out/): group_table.csv (per arm x row set x rule: BD mean, HC mean, gap, Mann-Whitney p), in_sample.csv
10
+ (training donors: generated vs their own observed cells), capability.csv (pooled C1Q-state rates in monocytes),
11
+ SUMMARY.json
12
+ usage: summarize.py [RULES_DIR (default out/rules_groups)] [OUTPUT_SUFFIX (default none)] (2026-10-04: K = 4000 test
13
+ is summarised with: summarize.py out/rules_groups_k4000 _k4000)
14
+ """
15
+ from __future__ import annotations
16
+
17
+ import json
18
+ import sys
19
+ from pathlib import Path
20
+
21
+ import numpy as np
22
+ import pandas as pd
23
+ from scipy.stats import mannwhitneyu
24
+
25
+ PLAN = Path(__file__).resolve().parents[1]
26
+ OUT = PLAN / "out"
27
+ PAIRS = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/behcet_pair_recovery_20261004/"
28
+ "out/pairs_recovered.csv")
29
+ RULES = ("A", "B", "C", "D")
30
+
31
+
32
+ def gap_row(d: pd.DataFrame, col: str) -> dict:
33
+ bd, hc = d[d.group == "BD"][col].to_numpy(), d[d.group == "HC"][col].to_numpy()
34
+ p = float(mannwhitneyu(bd, hc).pvalue) if len(bd) and len(hc) else np.nan
35
+ return {"n_bd": len(bd), "n_hc": len(hc), "bd_mean_pct": 100 * bd.mean(), "hc_mean_pct": 100 * hc.mean(),
36
+ "gap_pp": 100 * (bd.mean() - hc.mean()), "mw_p": p}
37
+
38
+
39
+ def main() -> int:
40
+ rdir = Path(sys.argv[1]) if len(sys.argv) > 1 else OUT / "rules_groups"
41
+ suf = sys.argv[2] if len(sys.argv) > 2 else ""
42
+ m = pd.read_csv(rdir / "per_sample_group_metrics.csv")
43
+ pairs = pd.read_csv(PAIRS)
44
+ train = set(pairs.bulk_sample)
45
+ rows = []
46
+ for arm, d in m.groupby("arm", sort=False):
47
+ sets = {"observed": d} if arm.startswith("obs") else {"test": d[~d.sample_id.isin(train)], "all": d}
48
+ for sname, s in sets.items():
49
+ for r in RULES:
50
+ rows.append({"arm": arm, "rows": sname, "metric": f"c1q_high_rule_{r}", **gap_row(s, f"c1q_high_fraction_{r}")})
51
+ rows.append({"arm": arm, "rows": sname, "metric": "monocyte_fraction", **gap_row(s, "monocyte_fraction_all_cells")})
52
+ gt = pd.DataFrame(rows)
53
+ gt.to_csv(OUT / f"group_table{suf}.csv", index=False)
54
+ # in-sample: training donors vs their own observed cells (native and thinned)
55
+ ins = []
56
+ for p in pairs.itertuples():
57
+ for arm, d in m.groupby("arm", sort=False):
58
+ key = p.sc_sample if arm.startswith("obs") else p.bulk_sample
59
+ r = d[d.sample_id == key]
60
+ if len(r):
61
+ r = r.iloc[0]
62
+ ins.append({"donor": p.bulk_sample, "sc_sample": p.sc_sample, "arm": arm,
63
+ "monocyte_fraction_pct": 100 * r.monocyte_fraction_all_cells,
64
+ **{f"c1q_high_{x}_pct": 100 * r[f"c1q_high_fraction_{x}"] for x in RULES}})
65
+ pd.DataFrame(ins).to_csv(OUT / f"in_sample{suf}.csv", index=False)
66
+ # capability: pooled over all monocytes of the arm (generated: test rows only; observed: all 8 samples)
67
+ cap = []
68
+ for arm, d in m.groupby("arm", sort=False):
69
+ s = d if arm.startswith("obs") else d[~d.sample_id.isin(train)]
70
+ mono = s.n_monocytes.sum()
71
+ cap.append({"arm": arm, "monocytes": int(mono),
72
+ **{f"pooled_rule_{x}_pct": 100 * s[f"n_c1q_high_{x}"].sum() / mono for x in RULES}})
73
+ pd.DataFrame(cap).to_csv(OUT / f"capability{suf}.csv", index=False)
74
+ summ = {"group_table": gt.round(4).to_dict("records"), "capability": cap, "train_rows": sorted(train)}
75
+ (OUT / f"SUMMARY{suf}.json").write_text(json.dumps(summ, indent=1, default=float) + "\n")
76
+ with pd.option_context("display.width", 220, "display.max_rows", 500):
77
+ print(gt[gt.metric.isin(["c1q_high_rule_A", "c1q_high_rule_B", "c1q_high_rule_D", "monocyte_fraction"])]
78
+ .round(3).to_string(index=False))
79
+ print(pd.DataFrame(ins).round(2).to_string(index=False))
80
+ print(pd.DataFrame(cap).round(3).to_string(index=False))
81
+ return 0
82
+
83
+
84
+ if __name__ == "__main__":
85
+ raise SystemExit(main())