Archive 4 checkpoints (1-4)
Browse files- paper-releases/pbisc-diffusion/updates/20261006T033847Z-bulkonly-lora5-k4000/diffusion/dataset/server_1/model8/plans/bulkonly_lora5_k4000_20261006/tools/fetch_s2.sh +69 -0
- paper-releases/pbisc-diffusion/updates/20261006T033847Z-bulkonly-lora5-k4000/diffusion/dataset/server_1/model8/plans/bulkonly_lora5_k4000_20261006/tools/gpu_draw.sh +90 -0
- paper-releases/pbisc-diffusion/updates/20261006T033847Z-bulkonly-lora5-k4000/diffusion/dataset/server_1/model8/plans/bulkonly_lora5_k4000_20261006/tools/make_queue.py +81 -0
- paper-releases/pbisc-diffusion/updates/20261006T033847Z-bulkonly-lora5-k4000/diffusion/dataset/server_1/model8/plans/bulkonly_lora5_k4000_20261006/tools/merge_paired.py +118 -0
paper-releases/pbisc-diffusion/updates/20261006T033847Z-bulkonly-lora5-k4000/diffusion/dataset/server_1/model8/plans/bulkonly_lora5_k4000_20261006/tools/fetch_s2.sh
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#!/usr/bin/env bash
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# Bring the Imperial K = 4,000 draws generated on spark-0110 (server_2) back to this host (2026-10-06).
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# Why: server_2's GPU became free (its root-owned vLLM stopped) while this host's GPU was working through sepsis, so
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# Imperial draws DRAWS (default "2 3 4") run there (tools/run_gpu.sh imperial_eskd, unit bulkonly-k4000-gpu-s2; same
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| 5 |
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# code, data, base checkpoint, torch 2.14.0+cu130 and numpy 2.4.2 on both hosts, sha-checked 2026-10-06). This
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| 6 |
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# host's queue files of those draws are stubs (full queue: queues/<ds>_draw<j>.txt.full), so its runner skips them;
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# server_2's queue files of the other draws are stubs.
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# For each draw, once server_2's logs/gpu_imperial_eskd_draw<j>.log says "complete":
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# rsync generated/imperial_eskd/draw<j>/ and runs/imperial_eskd/draw<j>/lora_k4000/ to the same paths here, without
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# checkpoint_ft.pt (the LoRA weights stay on server_2, where model_8 checkpoints are kept; the CPU tools check the
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# receipts' checkpoint sha against RUN.json);
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# every NPZ's sha256 must equal its receipt and every queue step must have its output, else WARN (draw held back);
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# then copy the draw's GPU log, which releases the draw to tools/run_cpu.sh.
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# Stops with WARN if server_2's runner is no longer active while a draw is incomplete. usage: fetch_s2.sh [DRAWS...]
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set -uo pipefail
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P4=/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/bulkonly_lora5_k4000_20261006
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R=spark-0110
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ds=imperial_eskd
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DRAWS=("${@:-2 3 4}"); read -r -a DRAWS <<< "${DRAWS[*]}"
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LOG=$P4/logs/fetch_s2_$(date +%Y%m%dT%H%M%S).log
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log() { echo "$(date +%FT%T) $*" | tee -a "$LOG"; }
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rsh() { ssh -n -o BatchMode=yes "$R" "export XDG_RUNTIME_DIR=/run/user/\$(id -u); export DBUS_SESSION_BUS_ADDRESS=unix:path=\$XDG_RUNTIME_DIR/bus; $*"; }
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declare -A done_d=()
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log "fetcher start: $ds draws ${DRAWS[*]} from $R"
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while (( ${#done_d[@]} < ${#DRAWS[@]} )); do
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for j in "${DRAWS[@]}"; do
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[[ -n "${done_d[$j]:-}" ]] && continue
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glog=$P4/logs/gpu_${ds}_draw${j}.log
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if rsh "grep -q '=== $ds draw$j complete' '$glog'"; then
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log "draw$j complete on $R; fetching"
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mkdir -p "$P4/generated/$ds/draw$j" "$P4/runs/$ds/draw$j/lora_k4000"
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rsync -a "$R:$P4/generated/$ds/draw$j/" "$P4/generated/$ds/draw$j/" >> "$LOG" 2>&1 \
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| 33 |
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&& rsync -a --exclude checkpoint_ft.pt "$R:$P4/runs/$ds/draw$j/lora_k4000/" "$P4/runs/$ds/draw$j/lora_k4000/" >> "$LOG" 2>&1 \
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|| { log "WARN: rsync of draw$j failed; retry next round"; continue; }
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if python3 - "$P4/queues/${ds}_draw${j}.txt.full" >> "$LOG" 2>&1 <<'EOF'
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| 36 |
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import hashlib, json, os, sys
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def sha(p):
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h = hashlib.sha256()
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with open(p, "rb") as f:
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| 40 |
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for b in iter(lambda: f.read(1 << 24), b""):
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| 41 |
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h.update(b)
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| 42 |
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return h.hexdigest()
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bad = 0
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| 44 |
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for line in open(sys.argv[1]):
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| 45 |
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f = line.strip().split("|")
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| 46 |
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if f[0] == "train":
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| 47 |
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bad += not os.path.exists(os.path.join(f[1], "RUN.json"))
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| 48 |
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elif f[0] == "sample":
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| 49 |
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rec = json.load(open(f[4][:-4] + ".log"))
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| 50 |
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ok = sha(f[4]) == rec["output_sha256"]
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| 51 |
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print(("ok " if ok else "SHA MISMATCH ") + os.path.basename(f[4]), rec["output_sha256"][:12])
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| 52 |
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bad += not ok
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| 53 |
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sys.exit(1 if bad else 0)
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| 54 |
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EOF
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| 55 |
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then
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| 56 |
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rsync -a "$R:$glog" "$glog" >> "$LOG" 2>&1
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| 57 |
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done_d[$j]=1
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| 58 |
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log "draw$j fetched and verified (every NPZ sha = its receipt); released to run_cpu.sh"
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| 59 |
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else
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| 60 |
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log "WARN: draw$j failed verification after fetch (see log); held back"
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| 61 |
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done_d[$j]=failed
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| 62 |
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fi
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| 63 |
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elif ! rsh "systemctl --user is-active --quiet bulkonly-k4000-gpu-s2"; then
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| 64 |
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log "WARN: server_2 runner inactive and draw$j incomplete; fetcher stops"; exit 1
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| 65 |
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fi
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| 66 |
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done
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| 67 |
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(( ${#done_d[@]} < ${#DRAWS[@]} )) && sleep 120
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| 68 |
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done
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| 69 |
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log "all assigned draws handled: $(for j in "${!done_d[@]}"; do printf 'draw%s=%s ' "$j" "${done_d[$j]}"; done)"
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paper-releases/pbisc-diffusion/updates/20261006T033847Z-bulkonly-lora5-k4000/diffusion/dataset/server_1/model8/plans/bulkonly_lora5_k4000_20261006/tools/gpu_draw.sh
ADDED
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| 1 |
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#!/usr/bin/env bash
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| 2 |
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# One few-pair draw's K = 4,000 GPU work (2026-10-06). Runs INSIDE one ml-run step (ml.slice, shared GPU lock held
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| 3 |
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# for the whole draw, so the scSemiProfiler queue gets the GPU between draws). Steps: queues/<ds>_draw<j>.txt
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| 4 |
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# (tools/make_queue.py), in order:
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| 5 |
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# train paired_finetune_intradataset_20260927/tools/ft_sdd.py with the LoRA-5 protocol (base f01 6k 1x E16,
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| 6 |
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# --mode lora --lr 5e-4 --fold 0 --fixed-steps 3000, LoRA r16, seed 20260927, the draw's train_donors.txt)
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| 7 |
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# on the K = 4,000 training condition; skipped when RUN.json exists; checkpoint sha must equal RUN.json
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| 8 |
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# sample scripts/sample_sdd_standalone.py with the benchmark's flags (EMA, DDIM 50, Bernoulli support read-out,
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| 9 |
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# threshold 0, batch 256, embedded conditioner); stdout = JSON receipt <out>.log, stderr <out>.err, peak
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| 10 |
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# memory <out>.time (GNU time -v); skipped when the NPZ exists and its receipt has an output_sha256
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| 11 |
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# Before each step: MemAvailable >= 32 GiB floor + the step's peak estimate (0.45 GiB per 1,000 cells; 16 GiB for
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| 12 |
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# training) and the thermal gate, waiting at most WAIT_MIN (120) minutes. A failure ends the step with exit 1 (the
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| 13 |
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# runner stops; no retry); a failed sampler's partial outputs are kept under generated/_failed/<stamp>/.
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| 14 |
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# usage (tools/run_gpu.sh): ml-run /bin/bash gpu_draw.sh DATASET DRAW
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| 15 |
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set -uo pipefail
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| 16 |
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M8=/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion
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| 17 |
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P4=$M8/plans/bulkonly_lora5_k4000_20261006
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| 18 |
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FT=$M8/plans/paired_finetune_intradataset_20260927
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| 19 |
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BASE=$M8/runs/f01_6k_1x_seed20260627/checkpoint_epoch_016.pt
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| 20 |
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BASE_SHA=8c7cd0e83e2bc19fe03dfcbc084919a1e2f61be8cc8bc12f4caf543dfda91633
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| 21 |
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THERMAL=$M8/plans/floor01_campaign_20260923/tools/thermal_guard.sh
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| 22 |
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for cand in /home/sj_server_1/miniforge3/envs/b2sc-cu130/bin/python /home/sj_server_2/miniforge3/envs/b2sc-infer/bin/python; do
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| 23 |
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[[ -x "$cand" ]] && { PY=$cand; break; }
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| 24 |
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done
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| 25 |
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export CUDA_VISIBLE_DEVICES=0 PYTORCH_CUDA_ALLOC_CONF=expandable_segments:True OMP_NUM_THREADS=4 PYTHONUNBUFFERED=1
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| 26 |
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ds=$1; j=$2
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| 27 |
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Q=$P4/queues/${ds}_draw${j}.txt
|
| 28 |
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LOG=$P4/logs/gpu_${ds}_draw${j}.log
|
| 29 |
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log() { echo "$(date +%FT%T) $*" >> "$LOG"; }
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| 30 |
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fail() { log "FAIL: $*"; exit 1; }
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| 31 |
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gate() { # gate NEED_GIB -> prints "MemAvailable ..; thermal verdict"
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| 32 |
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local need=$1 t0 a v
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| 33 |
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t0=$(date +%s)
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| 34 |
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while :; do
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| 35 |
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a=$(awk '/MemAvailable/ {print int($2/1048576)}' /proc/meminfo)
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| 36 |
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if (( a >= need )) && v=$(bash "$THERMAL"); then echo "MemAvailable ${a} GiB >= ${need}; $v"; return 0; fi
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| 37 |
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(( $(date +%s) - t0 > ${WAIT_MIN:-120} * 60 )) && { echo "MemAvailable ${a} GiB < ${need} or GPU hot"; return 1; }
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| 38 |
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sleep 30
|
| 39 |
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done
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| 40 |
+
}
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| 41 |
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[[ -s "$Q" ]] || fail "queue missing: $Q"
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| 42 |
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[[ -n "${PY:-}" ]] || fail "no torch python on this host"
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| 43 |
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log "=== $ds draw$j on $(hostname -s), py=$PY, unit=${INVOCATION_ID:-?}"
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| 44 |
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CK=""
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| 45 |
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while IFS='|' read -r kind a1 a2 a3 a4 a5 <&3; do # queue on fd 3: no step can eat it
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| 46 |
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[[ -z "${kind// }" || $kind == \#* ]] && continue
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| 47 |
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if [[ $kind == train ]]; then
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| 48 |
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run=$a1; cond=$a2; donors=$a3
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| 49 |
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mkdir -p "$run"
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| 50 |
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if [[ -s $run/RUN.json && -s $run/checkpoint_ft.pt ]]; then
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| 51 |
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log "train $(basename "$run"): done already"
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| 52 |
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else
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| 53 |
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g=$(gate 48) || fail "train gate: $g"
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| 54 |
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log "--- train $run ($g)"
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| 55 |
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"$PY" -u "$FT/tools/ft_sdd.py" --checkpoint "$BASE" --checkpoint-sha "$BASE_SHA" --dataset-dir "$FT/data/$ds" \
|
| 56 |
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--condition-npz "$cond" --fold 0 --mode lora --lr 5e-4 --out-dir "$run" --train-donors-file "$donors" \
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| 57 |
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--fixed-steps 3000 >> "$run/train.log" 2>&1 || fail "train failed (see $run/train.log)"
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| 58 |
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fi
|
| 59 |
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want=$(python3 -c "import json,sys;print(json.load(open(sys.argv[1]))['checkpoint_sha256'])" "$run/RUN.json") \
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| 60 |
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|| fail "RUN.json unreadable"
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| 61 |
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got=$(sha256sum "$run/checkpoint_ft.pt" | cut -d' ' -f1)
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| 62 |
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[[ "$got" == "$want" ]] || fail "checkpoint sha ${got:0:12} != RUN.json ${want:0:12}"
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| 63 |
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log "train ok: $(python3 -c "import json,sys;d=json.load(open(sys.argv[1]));print(d['steps_run'],'steps',d['wall_seconds'],'s','rows',len(d['train_rows']),'sha',d['checkpoint_sha256'][:12])" "$run/RUN.json")"
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| 64 |
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CK=$run/checkpoint_ft.pt
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| 65 |
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elif [[ $kind == sample ]]; then
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| 66 |
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tag=$a1; cond=$a2; seed=$a3; out=$a4; cells=$a5
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| 67 |
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[[ -n "$CK" ]] || fail "$tag: no trained checkpoint before sampling"
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| 68 |
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rec=${out%.npz}.log; err=${out%.npz}.err; tim=${out%.npz}.time
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| 69 |
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if [[ -s $out && -s $rec ]] && python3 -c "import json,sys;assert json.load(open(sys.argv[1]))['output_sha256']" "$rec" 2>/dev/null; then
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log "$tag: sampled already"; continue
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| 71 |
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fi
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| 72 |
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[[ -s $cond ]] || fail "$tag: condition missing $cond"
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| 73 |
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mkdir -p "$(dirname "$out")"
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| 74 |
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g=$(gate $(( 32 + (cells * 45 + 99999) / 100000 ))) || fail "$tag gate: $g"
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| 75 |
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log "--- $tag cells=$cells seed=$seed ($g)"
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| 76 |
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if /usr/bin/time -v -o "$tim" env PYTHONPATH="$M8/src" "$PY" -u "$M8/scripts/sample_sdd_standalone.py" \
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| 77 |
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--checkpoint "$CK" --condition-npz "$cond" --output "$out" --weights ema --batch-size 256 --steps 50 \
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| 78 |
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--seed "$seed" --device cuda --conditioner-source embedded --active-logit-threshold 0.0 \
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--support-readout bernoulli > "$rec" 2> "$err"; then
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| 80 |
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log "$tag done: $(python3 -c "import json,sys;d=json.load(open(sys.argv[1]));print('cells',d['cells'],'bulks',d['bulks'],'zero_frac %.4f' % d['generated_zero_fraction'],'sha',d['output_sha256'][:12])" "$rec") peak_rss $(awk -F': ' '/Maximum resident/ {printf "%.1f GiB", $2/1048576}' "$tim") wall $(awk -F': ' '/Elapsed/ {print $2}' "$tim")"
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| 81 |
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else
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| 82 |
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stamp=$(date +%Y%m%dT%H%M%S); keep=$P4/generated/_failed/$stamp; mkdir -p "$keep"
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| 83 |
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mv -f "$out" "$rec" "$err" "$tim" "$keep/" 2>/dev/null
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| 84 |
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fail "$tag sampler failed; partial outputs kept in $keep"
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| 85 |
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fi
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| 86 |
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else
|
| 87 |
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fail "unknown queue line kind: $kind"
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| 88 |
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fi
|
| 89 |
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done 3< "$Q"
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| 90 |
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log "=== $ds draw$j complete"
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paper-releases/pbisc-diffusion/updates/20261006T033847Z-bulkonly-lora5-k4000/diffusion/dataset/server_1/model8/plans/bulkonly_lora5_k4000_20261006/tools/make_queue.py
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|
| 1 |
+
#!/usr/bin/env python3
|
| 2 |
+
"""Write the GPU queue of each few-pair draw of one cohort (CPU only; 2026-10-06). Read by tools/gpu_draw.sh.
|
| 3 |
+
|
| 4 |
+
queues/<ds>_draw<j>.txt, in order:
|
| 5 |
+
train|RUN_DIR|TRAIN_CONDITION|TRAIN_DONORS_FILE
|
| 6 |
+
LoRA r16 on the draw's training donors (FT data/<ds>/fewshot_n5/draw<j>/train_donors.txt, the K = 1,000 draw's
|
| 7 |
+
donors) with the K = 4,000 training condition, fixed 3,000 steps: the LoRA-5 protocol with only K changed
|
| 8 |
+
sample|TAG|CONDITION_PART|SEED|OUTPUT_NPZ|CELLS
|
| 9 |
+
the draw's paired-test parts (1,500 cells per sample), then the bulk-only parts (4,000 cells per sample)
|
| 10 |
+
Seeds. Draw j uses base seed 20260927 + j * 1,000,003 for both sets; a part starting at row r0 adds r0 * 10,000,019
|
| 11 |
+
(the PARTS.json seed), so every cell has the seed it would have in the unsplit file of its draw. The K = 1,000
|
| 12 |
+
version used 20260927 for every draw, so its five draws share per-cell noise (its completeness review); the offset
|
| 13 |
+
makes the five K = 4,000 draws independent. Draw 0 keeps 20260927. No cell of one draw shares a noise or support
|
| 14 |
+
seed with a cell of another draw: cells per row are < 7,919 and the draw offsets (<= 4,000,012) are not multiples of
|
| 15 |
+
10,000,019 and differ from them by more than 11,918. Within a draw, the paired-test and bulk-only files reuse the
|
| 16 |
+
same seeds by row, as in the K = 1,000 version (different samples and conditions, never compared cell by cell).
|
| 17 |
+
usage: CUDA_VISIBLE_DEVICES='' make_queue.py DATASET
|
| 18 |
+
"""
|
| 19 |
+
from __future__ import annotations
|
| 20 |
+
|
| 21 |
+
import json
|
| 22 |
+
import os
|
| 23 |
+
import sys
|
| 24 |
+
from pathlib import Path
|
| 25 |
+
|
| 26 |
+
if os.environ.get("CUDA_VISIBLE_DEVICES") != "":
|
| 27 |
+
raise SystemExit("run with CUDA_VISIBLE_DEVICES=''")
|
| 28 |
+
|
| 29 |
+
M8 = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion")
|
| 30 |
+
FT = M8 / "plans/paired_finetune_intradataset_20260927"
|
| 31 |
+
PLAN = Path(__file__).resolve().parents[1]
|
| 32 |
+
BASE_SEED = 20260927
|
| 33 |
+
DRAW_STRIDE = 1_000_003
|
| 34 |
+
ROW_STRIDE = 10_000_019
|
| 35 |
+
K = 4000
|
| 36 |
+
|
| 37 |
+
|
| 38 |
+
def parts(manifest: Path, draw: int) -> list[dict]:
|
| 39 |
+
m = json.loads(manifest.read_text())
|
| 40 |
+
if m["base_seed"] != BASE_SEED or m["row_stride"] != ROW_STRIDE:
|
| 41 |
+
raise SystemExit(f"{manifest}: unexpected base seed / row stride")
|
| 42 |
+
out = []
|
| 43 |
+
for p in m["parts"]:
|
| 44 |
+
if p["seed"] != BASE_SEED + p["rows"][0] * ROW_STRIDE:
|
| 45 |
+
raise SystemExit(f"{manifest}: part {p['part']} seed")
|
| 46 |
+
out.append({**p, "path": manifest.parent / p["file"], "draw_seed": p["seed"] + draw * DRAW_STRIDE})
|
| 47 |
+
return out
|
| 48 |
+
|
| 49 |
+
|
| 50 |
+
def main(argv=None) -> int:
|
| 51 |
+
ds = (argv or sys.argv[1:])[0]
|
| 52 |
+
data = PLAN / "data" / ds
|
| 53 |
+
draws = json.loads((FT / "data" / ds / "fewshot_n5" / "DRAWS.json").read_text())["draw"]
|
| 54 |
+
(PLAN / "queues").mkdir(exist_ok=True)
|
| 55 |
+
summary = {}
|
| 56 |
+
for j in sorted(draws, key=int):
|
| 57 |
+
jj = int(j)
|
| 58 |
+
if not 0 <= jj <= 4:
|
| 59 |
+
raise SystemExit("draw index out of the seed-offset range checked above")
|
| 60 |
+
gen = PLAN / "generated" / ds / f"draw{jj}"
|
| 61 |
+
lines = [f"# {ds} draw {jj}: LoRA r16 at K = {K} on the draw's 5 training donors, then paired-test parts "
|
| 62 |
+
f"(1,500 cells per sample) and bulk-only parts (4,000 cells per sample); base seed "
|
| 63 |
+
f"{BASE_SEED + jj * DRAW_STRIDE}",
|
| 64 |
+
f"train|{PLAN}/runs/{ds}/draw{jj}/lora_k{K}|{data}/conditions_raw_fixed_K{K}.npz|"
|
| 65 |
+
f"{FT}/data/{ds}/fewshot_n5/draw{jj}/train_donors.txt"]
|
| 66 |
+
n_cells = 0
|
| 67 |
+
for kind, man, stem in (("paired", data / "paired_test" / f"draw{jj}_test_raw_K{K}.PARTS.json", "paired_test"),
|
| 68 |
+
("bulkonly", data / f"bulkonly_raw_K{K}.PARTS.json", "bulkonly")):
|
| 69 |
+
for p in parts(man, jj):
|
| 70 |
+
lines.append(f"sample|{ds}_d{jj}_{kind}_p{p['part']}|{p['path']}|{p['draw_seed']}|"
|
| 71 |
+
f"{gen}/{stem}_K{K}_part{p['part']}.npz|{p['cells']}")
|
| 72 |
+
n_cells += p["cells"]
|
| 73 |
+
q = PLAN / "queues" / f"{ds}_draw{jj}.txt"
|
| 74 |
+
q.write_text("\n".join(lines) + "\n")
|
| 75 |
+
summary[jj] = {"queue": str(q), "steps": len(lines) - 1, "cells": n_cells}
|
| 76 |
+
print(json.dumps(summary, indent=1))
|
| 77 |
+
return 0
|
| 78 |
+
|
| 79 |
+
|
| 80 |
+
if __name__ == "__main__":
|
| 81 |
+
sys.exit(main())
|
paper-releases/pbisc-diffusion/updates/20261006T033847Z-bulkonly-lora5-k4000/diffusion/dataset/server_1/model8/plans/bulkonly_lora5_k4000_20261006/tools/merge_paired.py
ADDED
|
@@ -0,0 +1,118 @@
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|
|
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|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
#!/usr/bin/env python3
|
| 2 |
+
"""Merge one draw's K = 4,000 paired-test parts into the one NPZ the benchmark scorer reads (CPU only; 2026-10-06).
|
| 3 |
+
|
| 4 |
+
Why: score_ft.py takes one NPZ per arm and reads it out with one Poisson draw over the whole file. The paired-test
|
| 5 |
+
set of a draw was generated in row parts (tools/split_conditions.py, seed-equivalent: each cell has the seed of the
|
| 6 |
+
unsplit draw file), so the parts concatenated in row order are that draw's unsplit generation.
|
| 7 |
+
Checks: each part's NPZ sha equals its receipt, its condition sha the part file of
|
| 8 |
+
data/<ds>/paired_test/draw<j>_test_raw_K4000.PARTS.json, its seed the queue seed (PARTS seed + draw x 1,000,003), and
|
| 9 |
+
every part has the checkpoint of runs/<ds>/draw<j>/lora_k4000/RUN.json and the same gene axis.
|
| 10 |
+
Output generated/<ds>/draw<j>/paired_test_K4000.npz (compressed) with the keys the scorer and extract_paired.py read:
|
| 11 |
+
generated_counts (cells x 6k float32, parts concatenated), bulk_index (shifted by each part's first row),
|
| 12 |
+
sample_ids, recipe_k, cells_per_bulk, bulk_measurement_fraction, output_availability_mask (per bulk, concatenated),
|
| 13 |
+
gene_ids, gene_symbols, gene_positions (equal in every part), metadata_json (the first part's, with
|
| 14 |
+
input_condition_path / sha256 = the unsplit draw condition, seed = the draw's base seed, merged_from = the parts).
|
| 15 |
+
The other per-cell arrays (generated_log1p, active_logits, active_mask, support_mask) stay in the part files.
|
| 16 |
+
Receipt <merged>.log (JSON, the sampler receipt's keys that the scorer reads): output_sha256, condition_npz,
|
| 17 |
+
condition_sha256, checkpoint, checkpoint_sha256, seed, cells, bulks, parts.
|
| 18 |
+
usage: CUDA_VISIBLE_DEVICES='' merge_paired.py DATASET DRAW
|
| 19 |
+
"""
|
| 20 |
+
from __future__ import annotations
|
| 21 |
+
|
| 22 |
+
import hashlib
|
| 23 |
+
import json
|
| 24 |
+
import os
|
| 25 |
+
import sys
|
| 26 |
+
import time
|
| 27 |
+
from datetime import datetime, timezone
|
| 28 |
+
from pathlib import Path
|
| 29 |
+
|
| 30 |
+
if os.environ.get("CUDA_VISIBLE_DEVICES") != "":
|
| 31 |
+
raise SystemExit("run with CUDA_VISIBLE_DEVICES=''")
|
| 32 |
+
|
| 33 |
+
import numpy as np
|
| 34 |
+
|
| 35 |
+
PLAN = Path(__file__).resolve().parents[1]
|
| 36 |
+
DRAW_STRIDE = 1_000_003 # tools/make_queue.py
|
| 37 |
+
K = 4000
|
| 38 |
+
|
| 39 |
+
|
| 40 |
+
def sha(p: Path) -> str:
|
| 41 |
+
h = hashlib.sha256()
|
| 42 |
+
with open(p, "rb") as f:
|
| 43 |
+
for b in iter(lambda: f.read(1 << 24), b""):
|
| 44 |
+
h.update(b)
|
| 45 |
+
return h.hexdigest()
|
| 46 |
+
|
| 47 |
+
|
| 48 |
+
def main(argv=None) -> int:
|
| 49 |
+
t0 = time.monotonic()
|
| 50 |
+
ds, j = (argv or sys.argv[1:])[0], int((argv or sys.argv[1:])[1])
|
| 51 |
+
cdir = PLAN / "data" / ds / "paired_test"
|
| 52 |
+
man = json.loads((cdir / f"draw{j}_test_raw_K{K}.PARTS.json").read_text())
|
| 53 |
+
unsplit = Path(man["source"])
|
| 54 |
+
if sha(unsplit) != man["source_sha256"]:
|
| 55 |
+
raise SystemExit(f"{unsplit}: sha differs from PARTS.json")
|
| 56 |
+
run = json.loads((PLAN / "runs" / ds / f"draw{j}" / f"lora_k{K}" / "RUN.json").read_text())
|
| 57 |
+
gdir = PLAN / "generated" / ds / f"draw{j}"
|
| 58 |
+
out = gdir / f"paired_test_K{K}.npz"
|
| 59 |
+
per_cell, per_bulk, fixed, parts, meta0, rec0 = {"generated_counts": [], "bulk_index": []}, {}, {}, [], None, None
|
| 60 |
+
for p in man["parts"]:
|
| 61 |
+
npz = gdir / f"paired_test_K{K}_part{p['part']}.npz"
|
| 62 |
+
rec = json.loads(npz.with_suffix(".log").read_text())
|
| 63 |
+
got = sha(npz)
|
| 64 |
+
if got != rec["output_sha256"]:
|
| 65 |
+
raise SystemExit(f"{npz.name}: sha {got[:12]} != receipt {rec['output_sha256'][:12]}")
|
| 66 |
+
if rec.get("condition_sha256") != p["sha256"] or sha(cdir / p["file"]) != p["sha256"]:
|
| 67 |
+
raise SystemExit(f"{npz.name}: condition sha differs from {p['file']}")
|
| 68 |
+
if int(rec["seed"]) != int(p["seed"]) + j * DRAW_STRIDE:
|
| 69 |
+
raise SystemExit(f"{npz.name}: seed {rec['seed']} is not the queue seed")
|
| 70 |
+
if rec.get("checkpoint_sha256") != run["checkpoint_sha256"]:
|
| 71 |
+
raise SystemExit(f"{npz.name}: checkpoint differs from RUN.json")
|
| 72 |
+
d = np.load(npz, allow_pickle=False)
|
| 73 |
+
n_rows = int(d["sample_ids"].shape[0])
|
| 74 |
+
if n_rows != p["n_samples"]:
|
| 75 |
+
raise SystemExit(f"{npz.name}: {n_rows} bulks != PARTS.json {p['n_samples']}")
|
| 76 |
+
per_cell["generated_counts"].append(np.asarray(d["generated_counts"], dtype=np.float32))
|
| 77 |
+
per_cell["bulk_index"].append(d["bulk_index"].astype(np.int64) + int(p["rows"][0]))
|
| 78 |
+
for key in ("sample_ids", "recipe_k", "cells_per_bulk", "bulk_measurement_fraction", "output_availability_mask"):
|
| 79 |
+
per_bulk.setdefault(key, []).append(d[key])
|
| 80 |
+
for key in ("gene_ids", "gene_symbols", "gene_positions"):
|
| 81 |
+
if key in fixed and not np.array_equal(fixed[key], d[key]):
|
| 82 |
+
raise SystemExit(f"{npz.name}: {key} differs between parts")
|
| 83 |
+
fixed[key] = d[key]
|
| 84 |
+
if meta0 is None:
|
| 85 |
+
meta0, rec0 = json.loads(str(d["metadata_json"])), rec
|
| 86 |
+
parts.append({"part": p["part"], "rows": p["rows"], "npz": str(npz), "sha256": got, "seed": int(rec["seed"]),
|
| 87 |
+
"condition": str(cdir / p["file"]), "condition_sha256": p["sha256"], "cells": int(rec["cells"])})
|
| 88 |
+
arrays = {k: np.concatenate(v) for k, v in per_cell.items()} | {k: np.concatenate(v) for k, v in per_bulk.items()} | fixed
|
| 89 |
+
z = np.load(unsplit, allow_pickle=True)
|
| 90 |
+
if not np.array_equal(arrays["sample_ids"].astype(str), z["sample_ids"].astype(str)):
|
| 91 |
+
raise SystemExit("merged sample order differs from the unsplit condition")
|
| 92 |
+
if not (np.bincount(arrays["bulk_index"], minlength=len(z["sample_ids"])) == z["cells_per_bulk"]).all():
|
| 93 |
+
raise SystemExit("cells per sample differ from the unsplit condition")
|
| 94 |
+
if not np.all(np.diff(arrays["bulk_index"]) >= 0):
|
| 95 |
+
raise SystemExit("bulk_index is not in row order")
|
| 96 |
+
base_seed = int(man["base_seed"]) + j * DRAW_STRIDE
|
| 97 |
+
meta = dict(meta0)
|
| 98 |
+
meta.update({"input_condition_path": str(unsplit), "input_condition_sha256": man["source_sha256"],
|
| 99 |
+
"seed": base_seed, "merged_from": parts,
|
| 100 |
+
"merge_note": "row parts of one draw concatenated in row order (seed-equivalent to the unsplit file)"})
|
| 101 |
+
arrays["metadata_json"] = np.array(json.dumps(meta))
|
| 102 |
+
np.savez_compressed(out, **arrays)
|
| 103 |
+
out_sha = sha(out)
|
| 104 |
+
receipt = {"output": str(out), "output_sha256": out_sha, "condition_npz": str(unsplit),
|
| 105 |
+
"condition_sha256": man["source_sha256"], "checkpoint": rec0.get("checkpoint"),
|
| 106 |
+
"checkpoint_sha256": run["checkpoint_sha256"], "seed": base_seed, "cells": int(arrays["bulk_index"].size),
|
| 107 |
+
"bulks": int(arrays["sample_ids"].size), "genes": int(arrays["generated_counts"].shape[1]),
|
| 108 |
+
"weights": rec0.get("weights"), "steps": rec0.get("steps"), "torch_version": rec0.get("torch_version"),
|
| 109 |
+
"parts": parts, "merged_utc": datetime.now(timezone.utc).isoformat(),
|
| 110 |
+
"tool": str(Path(__file__).resolve()), "tool_sha256": sha(Path(__file__)),
|
| 111 |
+
"seconds": round(time.monotonic() - t0, 1)}
|
| 112 |
+
out.with_suffix(".log").write_text(json.dumps(receipt, indent=1) + "\n")
|
| 113 |
+
print(json.dumps({k: receipt[k] for k in ("output_sha256", "cells", "bulks", "seed", "seconds")}))
|
| 114 |
+
return 0
|
| 115 |
+
|
| 116 |
+
|
| 117 |
+
if __name__ == "__main__":
|
| 118 |
+
sys.exit(main())
|