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#!/usr/bin/env bash
# Peptides-struct training diagnosis: depth sweep + RNI(noise/>1-WL) + GCN(<1-WL) reference.
set -uo pipefail
cd /home/yurenh2/rrog
export PYTHONPATH=/home/yurenh2/rrog
echo "host=$(hostname) gpu=${CUDA_VISIBLE_DEVICES:-?} start=$(date -Is)"
run() { echo "===== $* ====="; python3 diag/train_real.py "$@" --epochs 150 --seed 0 || echo "!! FAILED $*"; }
run --conv gin --layers 5 --rni 0 # baseline 1-WL
run --conv gin --layers 10 --rni 0 # depth / long-range
run --conv gin --layers 5 --rni 16 # noise / beyond-1-WL ceiling test
run --conv gcn --layers 5 --rni 0 # sub-1-WL reference
echo "done=$(date -Is)"
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