junidude14 commited on
Commit
5c47f7b
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1 Parent(s): 5d8e7ac

Archive 4 checkpoints (1-4)

Browse files
paper-releases/pbisc-diffusion/updates/20260928T225702Z-paired-ft-scsemi-delta/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scsemi/tools/compat_patch_20260928.py ADDED
@@ -0,0 +1,130 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #!/usr/bin/env python3
2
+ """Compatibility addition 2026-09-28: a size-1 trailing training batch (CPU only; no computation is run).
3
+
4
+ Problem: vaegan.fastgenerator.train() builds scvi DataSplitter(train_size=1.0, batch_size=B) with drop_last False.
5
+ When n_obs % B == 1 the last training minibatch holds one cell and the encoder's BatchNorm1d raises
6
+ "Expected more than 1 value per channel when training" (pretrain B = 128; inference B = min(n, 9000)).
7
+ Upstream anticipated this: the same train() carries a commented-out branch that switches to a drop-last splitter
8
+ (DataSplitter2, itself dead code) exactly when n_obs % batch_size == 1.
9
+
10
+ Change (vaegan.py, marker SCSEMI_COMPAT_20260928): in that case only, pass scvi's supported DataSplitter option
11
+ drop_last=True (scvi 1.4.1 pops it and applies it to the training loader only; validate_data_split then keeps
12
+ n_train = n_obs). Every other cell count takes the byte-identical original call, so unaffected representatives
13
+ compute exactly as before. No cell is removed from the data: each epoch reshuffles all n cells and the one cell
14
+ left over by the batch grid is skipped for that epoch.
15
+
16
+ Updates, each by atomic replace, under an exclusive lock on scsemi/.code_update.lock (the runner holds a shared
17
+ lock while it verifies vendor hashes and imports the vendor):
18
+ vendor/scSemiProfiler/scSemiProfiler/vaegan.py, vendor/compatibility.patch (git diff vs the pinned commit),
19
+ vendor/source_manifest.json (file hashes, patch hash, changes list); the previous manifest is kept as
20
+ vendor/source_manifest.before_20260928.json. Idempotent: an already-patched, consistent vendor is left alone.
21
+ usage: compat_patch_20260928.py [--vendor DIR] [--no-lock]
22
+ """
23
+ from __future__ import annotations
24
+
25
+ import argparse
26
+ import fcntl
27
+ import hashlib
28
+ import json
29
+ import os
30
+ import subprocess
31
+ from pathlib import Path
32
+
33
+ HERE = Path(__file__).resolve().parents[1]
34
+ COMMIT = "c2aea021188759e56ecf14578915c0237aaa75d2"
35
+ MARK = "# SCSEMI_COMPAT_20260928"
36
+ CHANGE = ("drop a size-1 trailing training batch: scvi DataSplitter(drop_last=True) only when n_obs % batch_size "
37
+ "== 1 (upstream's own commented-out remedy); all other cell counts unchanged")
38
+ OLD = """ data_splitter = DataSplitter(
39
+ self.adata_manager,
40
+ train_size=1.0,
41
+ validation_size=0,
42
+ batch_size=batch_size,)
43
+ """
44
+ NEW = """ # SCSEMI_COMPAT_20260928: upstream's commented-out remedy above (a drop-last splitter when
45
+ # n_obs % batch_size == 1), through scvi's supported DataSplitter option: drop the trailing training
46
+ # batch only when it would hold a single cell (BatchNorm cannot train on one sample). Every other
47
+ # cell count takes the original call unchanged.
48
+ if self.adata.n_obs % batch_size == 1:
49
+ data_splitter = DataSplitter(
50
+ self.adata_manager,
51
+ train_size=1.0,
52
+ validation_size=0,
53
+ batch_size=batch_size,
54
+ drop_last=True,)
55
+ else:
56
+ data_splitter = DataSplitter(
57
+ self.adata_manager,
58
+ train_size=1.0,
59
+ validation_size=0,
60
+ batch_size=batch_size,)
61
+ """
62
+
63
+
64
+ def sha(b: bytes) -> str:
65
+ return hashlib.sha256(b).hexdigest()
66
+
67
+
68
+ def atomic_write(path: Path, data: bytes) -> None:
69
+ tmp = path.with_name(f".{path.name}.tmp{os.getpid()}")
70
+ with open(tmp, "wb") as f:
71
+ f.write(data)
72
+ f.flush()
73
+ os.fsync(f.fileno())
74
+ os.replace(tmp, path)
75
+
76
+
77
+ def main() -> int:
78
+ ap = argparse.ArgumentParser()
79
+ ap.add_argument("--vendor", type=Path, default=HERE / "vendor")
80
+ ap.add_argument("--no-lock", action="store_true", help="staging copies only")
81
+ a = ap.parse_args()
82
+ vendor = a.vendor.resolve()
83
+ repo = vendor / "scSemiProfiler"
84
+ if subprocess.check_output(["git", "-C", str(repo), "rev-parse", "HEAD"], text=True).strip() != COMMIT:
85
+ raise SystemExit("refuse: vendor is not at the pinned commit")
86
+ if not a.no_lock and vendor != (HERE / "vendor").resolve():
87
+ raise SystemExit("--no-lock is required for a vendor outside scsemi/vendor")
88
+ lock = None
89
+ if not a.no_lock:
90
+ lock = open(HERE / ".code_update.lock", "a")
91
+ fcntl.flock(lock, fcntl.LOCK_EX)
92
+ try:
93
+ man_path = vendor / "source_manifest.json"
94
+ man = json.loads(man_path.read_text())
95
+ vg = repo / "scSemiProfiler/vaegan.py"
96
+ text = vg.read_text()
97
+ on_disk = {n: sha((repo / n).read_bytes()) for n in man["files"]}
98
+ if MARK in text:
99
+ if on_disk == man["files"] and CHANGE in man["changes"]:
100
+ print(json.dumps({"status": "already patched", "vaegan_sha256": on_disk["scSemiProfiler/vaegan.py"]}))
101
+ return 0
102
+ raise SystemExit("vaegan.py carries the marker but the manifest is inconsistent; inspect")
103
+ if on_disk != man["files"]:
104
+ raise SystemExit("vendor files differ from source_manifest.json before patching; inspect")
105
+ if text.count(OLD) != 1:
106
+ raise SystemExit("expected exactly one DataSplitter call in vaegan.train()")
107
+ atomic_write(vendor / "source_manifest.before_20260928.json", man_path.read_bytes())
108
+ atomic_write(vg, text.replace(OLD, NEW).encode())
109
+ diff = subprocess.check_output(["git", "-C", str(repo), "diff", "--", "scSemiProfiler/vaegan.py",
110
+ "scSemiProfiler/fast_generator.py"])
111
+ atomic_write(vendor / "compatibility.patch", diff)
112
+ new = dict(man)
113
+ new["compatibility_patch_sha256"] = sha(diff)
114
+ new["changes"] = list(man["changes"]) + [CHANGE]
115
+ new["files"] = {str(p.relative_to(repo)): sha(p.read_bytes()) for p in sorted((repo / "scSemiProfiler").glob("*.py"))}
116
+ new["previous_manifest_sha256"] = sha((vendor / "source_manifest.before_20260928.json").read_bytes())
117
+ atomic_write(man_path, (json.dumps(new, indent=2) + "\n").encode())
118
+ print(json.dumps({"status": "patched", "vaegan_sha256": new["files"]["scSemiProfiler/vaegan.py"],
119
+ "patch_sha256": new["compatibility_patch_sha256"],
120
+ "source_canonical_sha256": sha(json.dumps(new, sort_keys=True).encode()),
121
+ "previous_source_canonical_sha256": sha(json.dumps(man, sort_keys=True).encode())}))
122
+ finally:
123
+ if lock is not None:
124
+ fcntl.flock(lock, fcntl.LOCK_UN)
125
+ lock.close()
126
+ return 0
127
+
128
+
129
+ if __name__ == "__main__":
130
+ raise SystemExit(main())
paper-releases/pbisc-diffusion/updates/20260928T225702Z-paired-ft-scsemi-delta/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scsemi/tools/cpu_unit.sh ADDED
@@ -0,0 +1,41 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #!/usr/bin/env bash
2
+ # CPU-only step as a transient systemd user unit in ml.slice (server_1 and server_2; same paths on both).
3
+ # MemoryMax <= 16G, MemorySwapMax 0, OOMPolicy kill, OOMScoreAdjust +500, CPUQuota = THREADS x 100 % (<= 6),
4
+ # Nice 10, CUDA hidden, no bytecode. PYTHONNOUSERSITE=1 unless ALLOW_USER_SITE=1 (the frozen server_1 runtime_env
5
+ # takes certifi / charset_normalizer from ~/.local, exactly as the frozen campaign ran). Refuses to start unless MemAvailable >= 32 GiB + MEMMAX (the co-scheduled
6
+ # trainer keeps a 32 GiB floor). Waits; returns the command's exit code (last log line "UNIT_EXIT <rc>").
7
+ # usage: cpu_unit.sh NAME THREADS MEMMAX_GIB COMMAND [ARG ...] log -> scsemi/logs/NAME_<stamp>.log
8
+ set -uo pipefail
9
+ export XDG_RUNTIME_DIR="${XDG_RUNTIME_DIR:-/run/user/$(id -u)}"
10
+ export DBUS_SESSION_BUS_ADDRESS="${DBUS_SESSION_BUS_ADDRESS:-unix:path=$XDG_RUNTIME_DIR/bus}"
11
+ S=/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scsemi
12
+ name=$1; thr=$2; mem=$3; shift 3
13
+ (( thr >= 1 && thr <= 6 )) || { echo "THREADS must be 1..6" >&2; exit 2; }
14
+ (( mem >= 1 && mem <= 16 )) || { echo "MEMMAX_GIB must be 1..16" >&2; exit 2; }
15
+ avail=$(awk '/MemAvailable/ {print int($2/1048576)}' /proc/meminfo)
16
+ (( avail >= 32 + mem )) || { echo "MemAvailable ${avail} GiB < $((32 + mem)); not starting $name" >&2; exit 3; }
17
+ systemctl --user is-active --quiet ml-memory-guard.service || { echo "memory guard inactive; not starting $name" >&2; exit 4; }
18
+ mkdir -p "$S/logs"
19
+ if [[ "${ALLOW_USER_SITE:-0}" == 1 ]]; then nousersite=; else nousersite=1; fi
20
+ stamp=$(date +%Y%m%dT%H%M%S)
21
+ unit=scsemi-${name}-${stamp}
22
+ log=$S/logs/${name}_${stamp}.log
23
+ echo -e "$(date -Is)\tstart\t$unit\t$(hostname -s)\tMemAvailable=${avail}GiB\tthreads=$thr\tmem=${mem}G\t$*" >> "$S/logs/units.tsv"
24
+ systemd-run --user --unit="$unit" --slice=ml.slice --working-directory="$S" --expand-environment=no \
25
+ -p MemoryMax="${mem}G" -p MemorySwapMax=0 -p OOMPolicy=kill -p OOMScoreAdjust=500 \
26
+ -p CPUQuota=$((thr * 100))% -p Nice=10 -p Restart=no \
27
+ -p StandardOutput=append:"$log" -p StandardError=append:"$log" \
28
+ --setenv=CUDA_VISIBLE_DEVICES= --setenv=PYTHONNOUSERSITE="$nousersite" --setenv=PYTHONDONTWRITEBYTECODE=1 \
29
+ --setenv=PYTHONUNBUFFERED=1 --setenv=OMP_NUM_THREADS="$thr" --setenv=OPENBLAS_NUM_THREADS="$thr" \
30
+ --setenv=MKL_NUM_THREADS="$thr" --setenv=NUMBA_NUM_THREADS="$thr" --setenv=NUMEXPR_NUM_THREADS="$thr" \
31
+ /bin/bash -c '"$@"; rc=$?; echo "UNIT_EXIT $rc"; exit $rc' _ "$@" >/dev/null
32
+ echo "unit=$unit log=$log"
33
+ sleep 3
34
+ while [[ "$(systemctl --user show "$unit" -p ActiveState --value 2>/dev/null)" =~ ^(active|activating|deactivating)$ ]]; do sleep 10; done
35
+ rc=$(tail -n 1 "$log" | awk '$1=="UNIT_EXIT"{print $2}')
36
+ rc=${rc:-255}
37
+ [[ $rc == 255 ]] && echo "no UNIT_EXIT line (killed? OOM?): $(systemctl --user show "$unit" -p Result --value 2>/dev/null)" >> "$log"
38
+ systemctl --user reset-failed "$unit" >/dev/null 2>&1 || true
39
+ echo -e "$(date -Is)\tend\t$unit\trc=$rc" >> "$S/logs/units.tsv"
40
+ echo "unit $unit finished rc=$rc"
41
+ exit "$rc"
paper-releases/pbisc-diffusion/updates/20260928T225702Z-paired-ft-scsemi-delta/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scsemi/tools/export_npz.py ADDED
@@ -0,0 +1,171 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #!/usr/bin/env python
2
+ """Adapter: completed scSemiProfiler target shards -> the benchmark's generated NPZ + JSON receipt (CPU only).
3
+
4
+ Per target (condition-NPZ order):
5
+ cells upstream output has one generated cell per cell of the assigned representative (n_rep cells).
6
+ Keep 1,500: n_rep >= 1500 -> 1,500 drawn without replacement; n_rep < 1500 -> whole permutations of the
7
+ n_rep cells concatenated until 1,500 (each cell used floor/ceil(1500/n_rep) times). Stream
8
+ default_rng([20260927, uint64(sha256(target)[:8])]) (the scorer's donor-keyed stream form); kept rows sorted.
9
+ depth upstream values are normalized expression (library-normalised ZINB means, values <= 10 zeroed). Each kept
10
+ cell is rescaled to sum to D = the median per-cell UMI on the modeled genes of the representatives'
11
+ observed cells (inputs_manifest depth.value; label-free, from the training pairs only). All-zero cells stay
12
+ zero (counted). Result = expected counts (Poisson rates), what score_ft.py reads out.
13
+ genes modeled genes placed at their 6k-panel columns; every other panel column is 0.
14
+ metadata_json.input_condition_path = the split's test_raw.npz, so the scorer's bulk-broadcast baseline works.
15
+ """
16
+ from __future__ import annotations
17
+
18
+ import argparse
19
+ import hashlib
20
+ import json
21
+ import math
22
+ import os
23
+ import sys
24
+ from datetime import datetime, timezone
25
+ from pathlib import Path
26
+
27
+ if os.environ.get("CUDA_VISIBLE_DEVICES") != "":
28
+ raise SystemExit("run with CUDA_VISIBLE_DEVICES=''")
29
+
30
+ import numpy as np
31
+ import pandas as pd
32
+ import scipy.sparse as sp
33
+
34
+ M8 = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion")
35
+ PANEL = M8 / "artifacts/panel_ladder_floor01_1m_20260923/tiers/6k/selected_genes.csv"
36
+ SEED = 20260927
37
+ N_CELLS = 1500
38
+
39
+
40
+ def sha(path: Path) -> str:
41
+ h = hashlib.sha256()
42
+ with open(path, "rb") as f:
43
+ for block in iter(lambda: f.read(1 << 24), b""):
44
+ h.update(block)
45
+ return h.hexdigest()
46
+
47
+
48
+ def target_rng(target: str) -> np.random.Generator:
49
+ key = int.from_bytes(hashlib.sha256(str(target).encode()).digest()[:8], "little")
50
+ return np.random.default_rng([SEED, key])
51
+
52
+
53
+ def pick_rows(n_src: int, target: str, n_out: int = N_CELLS) -> np.ndarray:
54
+ if n_src < 1:
55
+ raise ValueError(f"{target}: no generated cells")
56
+ rng = target_rng(target)
57
+ if n_src >= n_out:
58
+ return np.sort(rng.choice(n_src, size=n_out, replace=False))
59
+ reps = math.ceil(n_out / n_src)
60
+ return np.sort(np.concatenate([rng.permutation(n_src) for _ in range(reps)])[:n_out])
61
+
62
+
63
+ def to_expected_counts(X: np.ndarray, depth: float) -> tuple[np.ndarray, int]:
64
+ lib = X.sum(1, dtype=np.float64)
65
+ scale = np.divide(depth, lib, out=np.zeros_like(lib), where=lib > 0)
66
+ return (X * scale[:, None]).astype(np.float32), int((lib <= 0).sum())
67
+
68
+
69
+ def main(argv=None) -> int:
70
+ ap = argparse.ArgumentParser(description=__doc__, formatter_class=argparse.RawDescriptionHelpFormatter)
71
+ ap.add_argument("--work", type=Path, required=True)
72
+ ap.add_argument("--out", type=Path, required=True, help="generated NPZ path (receipt = same stem .log)")
73
+ a = ap.parse_args(argv)
74
+ work, out = a.work.resolve(), a.out.resolve()
75
+ man = json.loads((work / "inputs/inputs_manifest.json").read_text())
76
+ run = json.loads((work / "run_manifest.json").read_text())
77
+ smoke = bool(man.get("smoke"))
78
+ if smoke and "/scsemi/smoke/" not in str(out):
79
+ raise SystemExit("smoke outputs never go to the benchmark's generated/ tree")
80
+ if out.exists() or out.with_suffix(".log").exists():
81
+ raise SystemExit(f"{out} or its receipt exists; never overwrite (preserve and inspect)")
82
+ signature = run["run_signature"]
83
+ genes = man["modeled_genes"]["gene_ids"]
84
+ pidx = np.asarray(man["modeled_genes"]["panel_index"], dtype=np.int64)
85
+ panel = pd.read_csv(PANEL)
86
+ panel_ids = np.asarray(panel.gene_id.astype(str).tolist(), dtype=str) # fixed-width unicode: loads with allow_pickle=False
87
+ panel_symbols = np.asarray(panel.gene_symbol.astype(str).tolist(), dtype=str)
88
+ if not np.array_equal(panel_ids[pidx], np.asarray(genes)):
89
+ raise SystemExit("modeled genes do not sit at the recorded panel columns")
90
+ depth = float(man["depth"]["value"])
91
+ if not (np.isfinite(depth) and depth > 0):
92
+ raise SystemExit("invalid depth")
93
+ targets = man["condition_sample_order"] if not smoke else [t for t in man["condition_sample_order"]
94
+ if t in set(man["target_order_test_samples"])]
95
+ if sorted(targets) != sorted(man["target_order_test_samples"]):
96
+ raise SystemExit("targets differ from the condition NPZ order")
97
+ per, src_rows = [], []
98
+ G = np.zeros((len(targets) * N_CELLS, panel_ids.size), dtype=np.float32)
99
+ for i, t in enumerate(targets):
100
+ rec = json.loads((work / "shards" / f"{t}.json").read_text())
101
+ shard = work / "shards" / f"{t}.npz"
102
+ if not rec.get("complete") or rec["run_signature"] != signature or rec["shard_sha256"] != sha(shard):
103
+ raise SystemExit(f"{t}: shard incomplete or receipt mismatch")
104
+ C = sp.load_npz(shard).tocsr()
105
+ if C.shape[1] != len(genes):
106
+ raise SystemExit(f"{t}: shard has {C.shape[1]} genes")
107
+ rows = pick_rows(C.shape[0], t)
108
+ X = C[rows].toarray().astype(np.float64)
109
+ if not np.isfinite(X).all() or (X < 0).any():
110
+ raise SystemExit(f"{t}: non-finite or negative values")
111
+ E, n_zero = to_expected_counts(X, depth)
112
+ G[i * N_CELLS:(i + 1) * N_CELLS, pidx] = E
113
+ src_rows.append(rows.astype(np.int32))
114
+ mult = np.bincount(rows, minlength=C.shape[0])
115
+ per.append({"sample_id": t, "representative": rec["representative"], "n_upstream_cells": int(C.shape[0]),
116
+ "with_replacement": bool(C.shape[0] < N_CELLS), "max_multiplicity": int(mult.max()),
117
+ "zero_library_cells": n_zero, "elapsed_seconds": rec["elapsed_seconds"],
118
+ "median_nonzero_genes": float(np.median((E > 0).sum(1)))})
119
+ lib = G.sum(1, dtype=np.float64)
120
+ nz = lib > 0
121
+ checks = {"finite": bool(np.isfinite(G).all()), "nonnegative": bool((G >= 0).all()),
122
+ "zero_outside_modeled_genes": bool(not G[:, np.setdiff1d(np.arange(panel_ids.size), pidx)].any()),
123
+ "nonzero_cells_sum_to_depth": bool(np.allclose(lib[nz], depth, rtol=1e-4)),
124
+ "gene_order_equals_panel": True, "cells_per_target": N_CELLS}
125
+ if not all(v for k, v in checks.items() if isinstance(v, bool)):
126
+ raise SystemExit(f"output checks failed: {checks}")
127
+ n_t = len(targets)
128
+ avail = np.zeros((n_t, panel_ids.size), dtype=bool)
129
+ avail[:, pidx] = True
130
+ meta = {"method": "scSemiProfiler", "arm": "scsemi5" if man["mode"] == "fewshot" else "scsemi",
131
+ "setting": run["protocol"]["setting"], "dataset": man["dataset"], "mode": man["mode"], "split": man["split"],
132
+ "input_condition_path": man["condition_npz"], "input_condition_sha256": man["condition_sha256"],
133
+ "seed": SEED, "run_signature": signature, "upstream_commit": run["protocol"]["upstream_commit"],
134
+ "protocol": run["protocol"], "representatives": [r["sample_id"] for r in man["representatives"]],
135
+ "train_donors": man["train_donors"], "n_modeled_genes": len(genes),
136
+ "unit": "expected_counts (Poisson rates)", "depth_rule": man["depth"]["rule"], "depth": depth,
137
+ "cell_rule": "1500 per target from the n_rep upstream cells: without replacement if n_rep >= 1500, else "
138
+ "whole permutations concatenated to 1500; default_rng([20260927, uint64 LE sha256(target)[:8]]); "
139
+ "kept rows sorted (source_row)",
140
+ "support_readout": "upstream (values <= 10 normalized units zeroed by fast_semi)", "smoke": smoke,
141
+ "code_migrations": [{"at": m["at"], "transitions": m["transitions"], "to_code_signature": m["to_code_signature"]}
142
+ for m in run.get("migrations", [])],
143
+ "work": str(work)}
144
+ out.parent.mkdir(parents=True, exist_ok=True)
145
+ tmp = out.with_name(out.stem + ".tmp.npz")
146
+ np.savez_compressed(tmp, generated_counts=G, gene_ids=panel_ids, gene_symbols=panel_symbols,
147
+ sample_ids=np.asarray(targets), bulk_index=np.repeat(np.arange(n_t, dtype=np.int64), N_CELLS),
148
+ cells_per_bulk=np.full(n_t, N_CELLS, dtype=np.int64), output_availability_mask=avail,
149
+ source_row=np.concatenate(src_rows), metadata_json=np.asarray(json.dumps(meta)))
150
+ with np.load(tmp, allow_pickle=False) as chk: # the scorer opens NPZs with allow_pickle=False
151
+ for key in chk.files:
152
+ chk[key]
153
+ os.replace(tmp, out)
154
+ receipt = {"output": str(out), "output_sha256": sha(out), "written_utc": datetime.now(timezone.utc).isoformat(),
155
+ "condition_npz": man["condition_npz"], "condition_sha256": man["condition_sha256"], "seed": SEED,
156
+ "bulks": n_t, "cells": int(G.shape[0]), "genes": int(panel_ids.size), "modeled_genes": len(genes),
157
+ "depth": depth, "checks": checks, "per_target": per,
158
+ "total_target_seconds": float(sum(p["elapsed_seconds"] for p in per)),
159
+ "median_target_seconds": float(np.median([p["elapsed_seconds"] for p in per])),
160
+ "run_signature": signature, "code_migrations": meta["code_migrations"],
161
+ "exporter_sha256": sha(Path(__file__)), "smoke": smoke}
162
+ rtmp = out.with_name(out.stem + ".log.tmp")
163
+ rtmp.write_text(json.dumps(receipt, indent=1) + "\n")
164
+ os.replace(rtmp, out.with_suffix(".log"))
165
+ print(json.dumps({k: receipt[k] for k in ("output", "bulks", "cells", "modeled_genes", "depth",
166
+ "median_target_seconds")}))
167
+ return 0
168
+
169
+
170
+ if __name__ == "__main__":
171
+ sys.exit(main())
paper-releases/pbisc-diffusion/updates/20260928T225702Z-paired-ft-scsemi-delta/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scsemi/tools/lean_cellgraph.py ADDED
@@ -0,0 +1,80 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """Memory-lean, output-identical drop-in for upstream scSemiProfiler.singlecell_process.fast_cellgraph.
2
+
3
+ Upstream (commit c2aea02) keeps several dense n x n float64/float32 copies of the k-NN graph, materialises an
4
+ n x (k-1) x G gather plus two temporaries of the same size for the neighbour-smoothed features (~10 GB at 15.6k cells,
5
+ above the 16 GiB CPU-unit cap), and finds each cell's neighbours with an O(n^2) Python loop. This version performs
6
+ the same arithmetic in the same order:
7
+ adj = kneighbors_graph(X, k, connectivity, include_self=True).toarray() + float32(diagw) on the diagonal,
8
+ divided by the (float64) row-sum vector broadcast over the last axis exactly as upstream (adj / adj.sum(1)),
9
+ selfw = diagonal (float32), diagonal then set to 0; stored densely in obsm['adj'] as upstream
10
+ neighbors= the column indices of each row's non-zeros in np.where row-major order; vectorised when every row has
11
+ exactly k-1 of them (always true for a k-NN graph with self), otherwise upstream's loop verbatim
12
+ neighborx= log(1+X)*selfw[0] + log(1+X[neighbors]).sum(1)*(1-selfw[0])/(k-1), computed in row chunks (a row's
13
+ value depends only on that row, and numpy's axis-1 sum is per-element, so chunking does not change bits)
14
+ It returns (adata, adj_tensor) like upstream. tools/verify_lean_cellgraph.py checks bit-identity against upstream
15
+ on real representatives before this is used, and run_scsemi_paired.py records its use in the run signature.
16
+ """
17
+ from __future__ import annotations
18
+
19
+ import numpy as np
20
+ import torch
21
+ from sklearn.neighbors import kneighbors_graph
22
+
23
+ CHUNK = 1024
24
+
25
+
26
+ def _upstream_neighbor_loop(xs: np.ndarray, ys: np.ndarray, n: int, maxn: int) -> np.ndarray:
27
+ neighbors = np.zeros((n, maxn - 1)) - 1
28
+ for i in range(n):
29
+ ns = np.zeros(maxn - 1) - 1
30
+ flag = 0
31
+ j = 0
32
+ k = 0
33
+ while flag != 2 and j < xs.shape[0]:
34
+ if xs[j] == i:
35
+ ns[k] = (ys[j])
36
+ k += 1
37
+ flag = 1
38
+ elif flag == 1:
39
+ flag = 2
40
+ j += 1
41
+ neighbors[i] = ns
42
+ return neighbors.astype(int)
43
+
44
+
45
+ def fast_cellgraph_lean(adata, k: int = 15, diagw: float = 1.0):
46
+ Xd = np.array(adata.X)
47
+ n = Xd.shape[0]
48
+ adj = kneighbors_graph(Xd, k, mode='connectivity', include_self=True).toarray()
49
+ # upstream: diag = identity(n).astype('float32') * diagw ; adj = adj + diag ; adj = adj / adj.sum(axis=1)
50
+ dval = (np.ones(1, dtype=np.float32) * diagw)[0]
51
+ idx = np.arange(n)
52
+ adj[idx, idx] = adj[idx, idx] + dval
53
+ rs = adj.sum(axis=1)
54
+ for s in range(0, n, CHUNK):
55
+ adj[s:s + CHUNK] = adj[s:s + CHUNK] / rs # broadcast over the last axis, as upstream
56
+ selfw = adj[idx, idx].copy().astype('float32')
57
+ adata.obs['selfw'] = selfw
58
+ adj[idx, idx] = 0
59
+ adata.obsm['adj'] = adj
60
+ # upstream: neighboridx = np.where(torch.from_numpy(adj.astype('float32')) != 0)
61
+ xs_l, ys_l = [], []
62
+ for s in range(0, n, CHUNK):
63
+ r, c = np.nonzero(adj[s:s + CHUNK].astype('float32') != 0)
64
+ xs_l.append(r + s)
65
+ ys_l.append(c)
66
+ xs, ys = np.concatenate(xs_l), np.concatenate(ys_l)
67
+ maxn = k
68
+ counts = np.bincount(xs, minlength=n)
69
+ if n and np.all(counts == maxn - 1):
70
+ neighbors = ys.reshape(n, maxn - 1).astype(int)
71
+ else:
72
+ neighbors = _upstream_neighbor_loop(xs, ys, n, maxn)
73
+ adata.obsm['neighbors'] = neighbors
74
+ out = np.empty(Xd.shape, dtype=np.result_type(np.log(1 + Xd[:1]) * selfw[0]))
75
+ w0 = selfw[0]
76
+ for s in range(0, n, CHUNK):
77
+ e = min(n, s + CHUNK)
78
+ out[s:e] = np.log(1 + Xd[s:e]) * w0 + np.log(1 + Xd[neighbors[s:e], :]).sum(axis=1) * (1 - selfw[0]) / (maxn - 1)
79
+ adata.obsm['neighborx'] = out
80
+ return adata, torch.from_numpy(adj.astype('float32'))