From 72f9cbb154bf7d5a727ed58c727141436561c616 Mon Sep 17 00:00:00 2001
From: Sooyoung Cheong <64125280+c-sooyoung@users.noreply.github.com>
Date: Thu, 30 Jul 2026 20:58:21 +0900
Subject: [PATCH] new job

---
 config.yaml |  8 ++++----
 job.sub     |  4 ++--
 main.py     | 28 ++++++++++++++++++++--------
 3 files changed, 26 insertions(+), 14 deletions(-)

diff --git a/config.yaml b/config.yaml
index ea1a241..84568c5 100644
--- a/config.yaml
+++ b/config.yaml
@@ -1,7 +1,7 @@
 io:
   input_data_path: '/home/swim/Si_project/data/Si2V1_1.mat'
-  result_dir: '/home/swim/bo-ptycho/results/260730'
-  verbosity: 0
+  result_dir: '/home/swim/bo-ptycho/results/260730-2V'
+  verbosity: 1
 
 ptycho:
   engine: 'fold_slice'
@@ -21,7 +21,7 @@ ptycho:
     tilt_y: 0 
     scan_step_size: 0.36
     Niter: 100
-    Niter_save_results: 50
+    Niter_save_results: 100
     CBED_size: 192
     ADU: 1
     extra_print_info: ''
@@ -38,7 +38,7 @@ ptycho:
 
 bo:
   parallel_jobs: 1
-  max_iterations: 64
+  max_iterations: 300
   mode: 'sobo'
   acquisition: 'ucb'
   params:
diff --git a/job.sub b/job.sub
index 3ab02ab..f5b565d 100644
--- a/job.sub
+++ b/job.sub
@@ -1,5 +1,5 @@
 #!/bin/bash
-#SBATCH --job-name=Si2V1
+#SBATCH --job-name=Si2V
 #SBATCH --nodes=1
 #SBATCH --ntasks=1
 #SBATCH --cpus-per-task=1
@@ -7,7 +7,7 @@
 #SBATCH --time=100:00:00
 #SBATCH --output=/home/swim/slurm-logs/job_%j.log
 
-echo "Si_2V_1"
+echo "2V"
 pwd
 hostname
 date
diff --git a/main.py b/main.py
index d262838..d4b5b9d 100644
--- a/main.py
+++ b/main.py
@@ -17,26 +17,38 @@ def main(config_yaml):
     shutil.copy(config_yaml, os.path.join(result_dir, os.path.basename(config_yaml)))
 
     # RANDOM BO SAMPLING PREPARATIONS; 20 SAMPLES
+    J = 20
     randombo = bo.RandomBOEngine(config)
-    for j in range(20):
-        print(f"RANDOM sampling iteration {j+1}")
+
+    bo_txt = os.path.join(result_dir, "bo.txt")
+    with open(bo_txt, "w") as f:
+        f.write(f"    iter\tmetric\t{"\t".join([p[:7] for p in randombo.params])}\n")
+
+    for j in range(J):
+        print(f"RANDOM sampling iteration {j}")
         job_config = randombo.ask()
         ptycho_engine = ptycho.FoldSlicePtychoEngine(job_config)
-        ptycho_engine.run()
-        y_value = -np.log(ptycho_engine.metric())
+        ptycho_engine.run(run_id=f"bo-{j:03d}")
+        y_value = ptycho_engine._metric
         randombo.tell(job_config, y_value)
+        with open(bo_txt, "a") as f:
+            p = [f'{job_config['ptycho']['params'][key]:.2f}' for key in randombo.params]
+            f.write(f"{j: 8d}\t{y_value:.4f}\t{"\t".join(p)}\n")
 
     # MAIN SINGLE OBJECTIVE BAYESIAN OPTIMIZATION
     sobo = bo.SingleObjectiveBOEngine(config)
     sobo.train_x = randombo.train_x
     sobo.train_y = randombo.train_y
-    for j in range(config['bo']['max_iterations']):
-        print(f"SOBO sampling iteration {j+1}")
+    for j in range(J, J + config['bo']['max_iterations'] + 1):
+        print(f"SOBO sampling iteration {j}")
         job_config = sobo.ask()
         ptycho_engine = ptycho.FoldSlicePtychoEngine(job_config)
-        ptycho_engine.run(header=f"[BO {j:03d}] ")
-        y_value = -np.log(ptycho_engine.metric())
+        ptycho_engine.run(run_id=f"bo-{j:03d}")
+        y_value = ptycho_engine._metric
         sobo.tell(job_config, y_value)
+        with open(bo_txt, "a") as f:
+            p = [f'{job_config['ptycho']['params'][key]:.2f}' for key in sobo.params]
+            f.write(f"{j: 8d}\t{y_value:.4f}\t{"\t".join(p)}\n")
 
 if __name__ == "__main__":
     if len(sys.argv) != 2: