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spice_data / second_mut /run_log.txt
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SPICE n45000 RL run — second batch (acidic collapse, pH 2.0)
Source: HPC SCNet, 2026-08-14, 7QF3
===================================================================
[ep 0] 路径A 失稳(崩溃/m5 超阈值),记录 Env_fail: (2.0, 330.0, 0.0)
Five surviving mutants produced in episode 1 (acidic collapse):
[warn] pred_ca 几何异常(缩放不可救),回退 wild CA 骨架: 50:Q>K
存活突变体: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDKATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.92, aggressive) 伪标签 -> pseudo_7qf3_0_20.npz
[warn] pred_ca 几何异常(缩放不可救),回退 wild CA 骨架: 4:S>Y;49:D>K
存活突变体: MEKYFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETKQATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.90, aggressive) 伪标签 -> pseudo_7qf3_1_20.npz
[warn] pred_ca 几何异常(缩放不可救),回退 wild CA 骨架: 4:S>F;36:L>W;49:D>K
存活突变体: MEKFFVITDPRLPDNPIIFASDGFLELTEYSREEIWGRNGRFLQGPETKQATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.89, aggressive) 伪标签 -> pseudo_7qf3_2_20.npz
[warn] pred_ca 几何异常(缩放不可救),回退 wild CA 骨架: 3:K>Y
存活突变体: MEYSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDQATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.92, aggressive) 伪标签 -> pseudo_7qf3_3_20.npz
[warn] pred_ca 几何异常(缩放不可救),回退 wild CA 骨架: 3:K>Y;35:I>W;48:T>K
突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 54/400 (T=142K, U=3.527e8)
[warn] pred_ca 几何异常(缩放不可救),回退 wild CA 骨架: 47:E>K
存活突变体: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPKTDQATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.91, aggressive) 伪标签 -> pseudo_7qf3_4_20.npz
[warn] 新亲本 pred_ca 异常,回退 wild 骨架
新亲本结构已重建: MEKSFVITDPRLPDNPIIFA... (n_res=116)
伪标签回流: 5 条 -> pseudo.tfrecord(加权后 40 条)
Key fields:
- steps=20 = survived the full episode in Env_fail (pH2.0/330K)
- Q=0.89-0.92 = native-contact retention (threshold 0.5); genuine fold retention
- pred_ca 回退 wild 骨架 = Head A fold not yet engine-buildable (local clashes) → construction
uses wild-type backbone + sidechain rebuilding (2026-08-14 guard fix in effect)