Merge branch 'feature/v2-torch_example' of github:aistairc/aiaccel in…

…to feature/v2-torch_example

aiaccel/hpo/algorithms/nelder_mead_algorithm.py

@@ -102,8 +102,7 @@ def get_vertex(self, dimensions: int | None = None) -> npt.NDArray[np.float64]:
                 assert self.dimensions == dimensions
         elif dimensions is None and self.dimensions is None:
             raise ValueError(
-                "dimensions is not set yet. "
-                "Please provide it on __init__ or get_vertex or call put_vertex in advance."
+                "dimensions is not set yet. Please provide it on __init__ or get_vertex or call put_vertex in advance."
             )
 
         with self.lock:
@@ -208,8 +207,7 @@ def _generator(self) -> Generator[npt.NDArray[np.float64] | None, None, None]:
 
         if self.dimensions is None:
             raise ValueError(
-                "dimensions is not set yet. "
-                "Please provide it on __init__ or get_vertex or call put_vertex in advance."
+                "dimensions is not set yet. Please provide it on __init__ or get_vertex or call put_vertex in advance."
             )
 
         if self.dimensions + 1 > len(self.vertices):

docs/source/user_guide/hpo.rst

@@ -3,4 +3,201 @@ Optimizing Your Hyperparameters
 
 Hyperparameter optimization (HPO) is an indispensable step to make it work in real world.
 
+Usage
+--------
+
+Creating an Objective File
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+Create a file that defines the objective function to be optimized:
+
+.. code-block:: python
+
+ # objective.py
+ import json
+ from argparse import ArgumentParser
+ from pathlib import Path
+
+ def main() -> None:
+   parser = ArgumentParser()
+   parser.add_argument("dst_filename", type=Path)
+   parser.add_argument("--x1", type=float)
+   parser.add_argument("--x2", type=float)
+   args = parser.parse_args()
+
+   x1, x2 = args.x1, args.x2
+
+   # Objective function: (x1^2 - 4x1 + x2^2 - x2 - x1x2)
+   y = (x1**2) - (4.0 * x1) + (x2**2) - x2 - (x1 * x2)
+
+   with open(args.dst_filename, 'w') as f:
+     json.dump(y, f)
+
+ if __name__ == "__main__":
+   main()
+
+Creating an Execution Script
+~~~~~~~~~~~~~~~~~~
+
+Create a script for environment setup and objective function execution:
+
+.. code-block:: bash
+
+ # objective.sh
+ #!/bin/bash
+
+ #$-l rt_C.small=1
+ #$-cwd
+
+ source /etc/profile.d/modules.sh
+ module load gcc/13.2.0
+ module load python/3.10/3.10.14
+
+ python objective.py $@
+
+Configuration
+~~~~~~~~~~~~~~~~~~
+
+Basic configuration example:
+
+.. code-block:: yaml
+
+ study:
+   _target_: optuna.create_study
+   direction: minimize
+
+ executor:
+   _target_: aiaccel.hpo.job_executors.LocalJobExecutor
+   n_max_jobs: 4
+
+ result:
+   _target_: aiaccel.results.JsonResult
+   filename_template: "{job.cwd}/{job.job_name}_result.json"
+
+ params:
+   x1: [0, 1]
+   x2: [0, 1]
+
+ n_trials: 30
+
+Study Configuration
+~~~~~~~~~~~~~~~~~~~~
+
 (WIP)
+
+Sampler Configuration
+~~~~~~~~~~~~~~~~~~~~
+
+(WIP)
+
+Executor Configuration
+~~~~~~~~~~~~~~~~~~~~~
+
+Two types of executors are available:
+
+Local Execution:
+
+.. code-block:: yaml
+
+ executor:
+   _target_: aiaccel.hpo.job_executors.LocalJobExecutor
+   n_max_jobs: 4
+
+ABCI Execution:
+
+.. code-block:: yaml
+
+ executor:
+   _target_: aiaccel.hpo.job_executors.AbciJobExecutor
+   n_max_jobs: 4
+   group: gaa50000
+
+Result Configuration
+~~~~~~~~~~~~~~~~~~~
+
+Three formats are supported for saving results:
+
+JSON Format (Default):
+
+.. code-block:: yaml
+
+ result:
+   _target_: aiaccel.results.JsonResult
+   filename_template: "{job.cwd}/{job.job_name}_result.json"
+
+Example objective function for JSON:
+
+.. code-block:: python
+
+ import json
+ ...
+ def main() -> None:
+   # ... argument parsing ...
+   y = (x1**2) - (4.0 * x1) + (x2**2) - x2 - (x1 * x2)
+   with open(args.dst_filename, 'w') as f:
+     json.dump(y, f)
+
+Pickle Format:
+
+.. code-block:: yaml
+
+ result:
+   _target_: aiaccel.results.PickleResult
+   filename_template: "{job.cwd}/{job.job_name}_result.pkl"
+
+Example objective function for Pickle:
+
+.. code-block:: python
+
+ import pickle
+ ...
+ def main() -> None:
+   # ... argument parsing ...
+   y = (x1**2) - (4.0 * x1) + (x2**2) - x2 - (x1 * x2)
+   with open(args.dst_filename, 'wb') as f:
+     pickle.dump(y, f)
+
+Stdout Format:
+
+.. code-block:: yaml
+
+ result:
+   _target_: aiaccel.results.StdoutResult
+   filename_template: "{job.cwd}/{job.job_name}_result.txt"
+
+Example objective function for Stdout:
+
+.. code-block:: python
+
+ ...
+ def main() -> None:
+   # ... argument parsing ...
+   y = (x1**2) - (4.0 * x1) + (x2**2) - x2 - (x1 * x2)
+   print(y)
+
+Parameters Configuration
+~~~~~~~~~~~~~~~~~~~~~~~
+
+(WIP)
+
+Execution Methods
+~~~~~~~~~~~~~~~~
+
+Basic Usage
++++++++++++++++++++++++++++
+
+For more complex configurations, you can use a YAML configuration file:
+
+.. code-block:: bash
+
+ python -m aiaccel.hpo.apps.optimize objective.sh --config config.yaml
+
+Combining Configuration File and Command Line Parameters
++++++++++++++++++++++++++++
+
+You can override configuration file settings using command line parameters. Command line parameters take precedence over configuration file values:
+
+.. code-block:: bash
+
+ # Override parameters from config file
+ python -m aiaccel.hpo.apps.optimize objective.sh --config config.yaml --params x1="[0,2]" x2="[0,2]"