From d12722525fc010a3910b5152c72654a2ade5eac4 Mon Sep 17 00:00:00 2001
From: YurenHao0426 <Blackhao0426@gmail.com>
Date: Wed, 17 Jun 2026 11:19:27 -0500
Subject: Initial import

---
 diag/run_real.sh | 12 ++++++++++++
 1 file changed, 12 insertions(+)
 create mode 100644 diag/run_real.sh

(limited to 'diag/run_real.sh')

diff --git a/diag/run_real.sh b/diag/run_real.sh
new file mode 100644
index 0000000..c29426a
--- /dev/null
+++ b/diag/run_real.sh
@@ -0,0 +1,12 @@
+#!/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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