File size: 2,535 Bytes
504d922 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 | #!/usr/bin/env bash
set -euo pipefail
# Server-side convenience wrapper for the independent multi-strategy benchmark.
# Override any default through environment variables before running.
#
# Required:
# DATASET_DIR
# STRATEGY_OUT
#
# Optional examples:
# export JOBS=120
# export COST_BUDGET_RUNS=100000
# export CALIBRATION_SIZE=50000
# export STRATEGIES=cluster_only_triage,cheap_descriptor_filter_only,random_cost_balanced,diverse_random_cost_balanced,single_fidelity_cost_balanced,reference_free_active_learning_v2
# bash scripts/run_strategy_benchmark_server.sh
if [[ -z "${DATASET_DIR:-}" ]]; then
echo "ERROR: DATASET_DIR is required" >&2
exit 2
fi
if [[ -z "${STRATEGY_OUT:-}" ]]; then
echo "ERROR: STRATEGY_OUT is required" >&2
exit 2
fi
REFERENCE_MODE="${REFERENCE_MODE:-sampled}"
REFERENCE_SAMPLE_SIZE="${REFERENCE_SAMPLE_SIZE:-500}"
REFERENCE_SAMPLE_SEED="${REFERENCE_SAMPLE_SEED:-42}"
STRATEGIES="${STRATEGIES:-cluster_only_triage,cheap_descriptor_filter_only,random_cost_balanced,diverse_random_cost_balanced,single_fidelity_cost_balanced,reference_free_active_learning_v2}"
ADAPTIVE_POLICY="${ADAPTIVE_POLICY:-cluster_bandit}"
TRIAGE_TARGET_RECALL="${TRIAGE_TARGET_RECALL:-0.95}"
TRIAGE_RETAIN_FRACTION="${TRIAGE_RETAIN_FRACTION:-0.05}"
CALIBRATION_SIZE="${CALIBRATION_SIZE:-50000}"
FIDELITY_VALIDATION_SIZE="${FIDELITY_VALIDATION_SIZE:-50}"
COST_BUDGET_RUNS="${COST_BUDGET_RUNS:-100000}"
FIDELITY_LEVELS="${FIDELITY_LEVELS:-5,10,15,30,50}"
SEEDS="${SEEDS:-1,2,3}"
JOBS="${JOBS:-120}"
CHUNK_SIZE="${CHUNK_SIZE:-30}"
CPU_FRACTION="${CPU_FRACTION:-0.85}"
RDOCK_TIMEOUT_SECONDS="${RDOCK_TIMEOUT_SECONDS:-4000}"
EXTRA_ARGS="${EXTRA_ARGS:-}"
set -x
python -m docking_pipeline benchmark-triage-strategies \
--dataset-dir "${DATASET_DIR}" \
--reference-mode "${REFERENCE_MODE}" \
--reference-sample-size "${REFERENCE_SAMPLE_SIZE}" \
--reference-sample-seed "${REFERENCE_SAMPLE_SEED}" \
--strategies "${STRATEGIES}" \
--adaptive-policy "${ADAPTIVE_POLICY}" \
--triage-target-recall "${TRIAGE_TARGET_RECALL}" \
--triage-retain-fraction "${TRIAGE_RETAIN_FRACTION}" \
--calibration-size "${CALIBRATION_SIZE}" \
--fidelity-validation-size "${FIDELITY_VALIDATION_SIZE}" \
--cost-budget-runs "${COST_BUDGET_RUNS}" \
--fidelity-levels "${FIDELITY_LEVELS}" \
--seeds "${SEEDS}" \
--jobs "${JOBS}" \
--chunk-size "${CHUNK_SIZE}" \
--cpu-fraction "${CPU_FRACTION}" \
--rdock-timeout-seconds "${RDOCK_TIMEOUT_SECONDS}" \
--out "${STRATEGY_OUT}" \
--resume \
${EXTRA_ARGS}
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