pyfemtet 0.7.1__py3-none-any.whl → 0.8.0__py3-none-any.whl

pyfemtet/opt/_femopt.py

@@ -165,6 +165,7 @@ class FEMOpt:
             step: float = None,
             properties: dict[str, str or float] = None,
             pass_to_fem: bool = True,
+            fix: bool = False,
     ):
         # noinspection PyUnresolvedReferences
         """Adds a parameter to the optimization problem.
@@ -177,6 +178,15 @@ class FEMOpt:
             step (float, optional): The step of parameter. If specified, parameter is used as discrete. Defaults to None.
             properties (dict[str, str or float], optional): Additional information about the parameter. Defaults to None.
             pass_to_fem (bool, optional): If this variable is used directly in FEM model update or not. If False, this parameter can be just used as inpt of expressions. Defaults to True.
+            fix (bool, optiona):
+                パラメータを initial_value で固定します。
+                開発時にパラメータを振るか振らないかを
+                簡単に変更するための便利引数です。
+                True のとき、lower_bound, upper_bound, step, properties の
+                値は、有効かどうかのチェックには使われますが、最適化では
+                使われなくなります。
+                デフォルトは False です。
+
 
         Raises:
             ValueError: If initial_value is not specified and the value for the given name is also not specified in FEM.
@@ -209,16 +219,27 @@ class FEMOpt:
             if initial_value is None:
                 raise ValueError('initial_value を指定してください.')
 
-        prm = Parameter(
-            name=name,
-            value=float(initial_value),
-            lower_bound=float(lower_bound) if lower_bound is not None else None,
-            upper_bound=float(upper_bound) if upper_bound is not None else None,
-            step=float(step) if step is not None else None,
-            pass_to_fem=pass_to_fem,
-            properties=properties,
-        )
-        self.opt.variables.add_parameter(prm)
+        if not fix:
+            prm = Parameter(
+                name=name,
+                value=float(initial_value),
+                lower_bound=float(lower_bound) if lower_bound is not None else None,
+                upper_bound=float(upper_bound) if upper_bound is not None else None,
+                step=float(step) if step is not None else None,
+                pass_to_fem=pass_to_fem,
+                properties=properties,
+            )
+            self.opt.variables.add_parameter(prm)
+
+        else:
+            warnings.filterwarnings('ignore', category=UserWarning, message="The function 'add_expression' is experimental")
+            self.add_expression(
+                name=name,
+                fun=lambda: initial_value,
+                pass_to_fem=pass_to_fem,
+                properties=properties,
+            )
+
 
     @experimental_feature
     def add_expression(
@@ -299,7 +320,7 @@ class FEMOpt:
 
     def add_objective(
             self,
-            fun,
+            fun: callable or None = None,
             name: str or None = None,
             direction: str or float = 'minimize',
             args: tuple or None = None,
@@ -309,7 +330,7 @@ class FEMOpt:
         """Adds an objective to the optimization problem.
 
         Args:
-            fun (callable): The objective function.
+            fun (callable or None, optional): The objective function. This argument is optional but
             name (str or None, optional): The name of the objective. Defaults to None.
             direction (str or float, optional): The optimization direction. Varid values are 'maximize', 'minimize' or a float value. Defaults to 'minimize'.
             args (tuple or None, optional): Additional arguments for the objective function. Defaults to None.
@@ -344,6 +365,10 @@ class FEMOpt:
         """
 
         # 引数の処理
+        if fun is None:
+            from pyfemtet.opt.interface._surrogate._base import SurrogateModelInterfaceBase
+            if not isinstance(self.fem, SurrogateModelInterfaceBase):
+                raise ValueError('`fun` argument is not specified.')
         if args is None:
             args = tuple()
         elif not isinstance(args, tuple):
@@ -403,7 +428,6 @@ class FEMOpt:
                 kwargs=kwargs,
             )
 
-
     def add_constraint(
             self,
             fun,
@@ -612,6 +636,7 @@ class FEMOpt:
             if self.fem._load_problem_from_me:
                 self.fem.load_parameter(self.opt)
                 self.fem.load_objective(self.opt)
+                self.fem.load_constraint(self.opt)
 
         # resolve expression dependencies
         self.opt.variables.resolve()
@@ -892,7 +917,10 @@ class FEMOpt:
                 print('='*len(Msg.CONFIRM_BEFORE_EXIT))
                 input()
 
-            return self.history.get_df()  # with 文を抜けると actor は消えるが .copy() はこの段階では不要
+            df = self.history.get_df()  # with 文を抜けると actor は消えるが .copy() はこの段階では不要
+
+        return df
+
 
     @staticmethod
     def terminate_all():

pyfemtet/opt/_femopt_core.py

@@ -262,6 +262,8 @@ def is_feasible(value, lb, ub):
     Returns:
         bool: True if the value satisfies the bounds; False otherwise.
     """
+    if np.isnan(value):
+        return False
     if lb is None and ub is not None:
         return value <= ub
     elif lb is not None and ub is None:
@@ -290,10 +292,11 @@ class Function:
         # COM 定数を一度 _Scapegoat 型のオブジェクトにする
         # ParametricIF で使う dll 関数は _FuncPtr 型であって __globals__ を持たないが、
         # これは絶対に constants を持たないので単に無視すればよい。
-        if not isinstance(fun, ctypes._CFuncPtr):
-            for varname in fun.__globals__:
-                if isinstance(fun.__globals__[varname], Constants):
-                    fun.__globals__[varname] = _Scapegoat()
+        if fun is not None:
+            if not isinstance(fun, ctypes._CFuncPtr):
+                for varname in fun.__globals__:
+                    if isinstance(fun.__globals__[varname], Constants):
+                        fun.__globals__[varname] = _Scapegoat()
 
         self.fun = fun
         self.name = name
@@ -309,6 +312,9 @@ class Function:
         Returns:
             float
         """
+        if self.fun is None:
+            RuntimeError(f'`fun` of {self.name} is not specified.')
+
         args = self.args
         # Femtet 特有の処理
         if isinstance(fem, FemtetInterface):
@@ -318,11 +324,12 @@ class Function:
     def _restore_constants(self):
         """Helper function for parallelize Femtet."""
         fun = self.fun
-        if not isinstance(fun, ctypes._CFuncPtr):
-            for varname in fun.__globals__:
-                if isinstance(fun.__globals__[varname], _Scapegoat):
-                    if not fun.__globals__[varname]._ignore_when_restore_constants:
-                        fun.__globals__[varname] = constants
+        if fun is not None:
+            if not isinstance(fun, ctypes._CFuncPtr):
+                for varname in fun.__globals__:
+                    if isinstance(fun.__globals__[varname], _Scapegoat):
+                        if not fun.__globals__[varname]._ignore_when_restore_constants:
+                            fun.__globals__[varname] = constants
 
 
 class Objective(Function):
@@ -621,16 +628,30 @@ class History:
 
         self.set_df(df)
 
-    def get_df(self) -> pd.DataFrame:
+    def filter_valid(self, df_, keep_trial_num=False):
+        buff = df_[self.obj_names].notna()
+        idx = buff.prod(axis=1).astype(bool)
+        filtered_df = df_[idx]
+        if not keep_trial_num:
+            filtered_df.loc[:, 'trial'] = np.arange(len(filtered_df)) + 1
+        return filtered_df
+
+    def get_df(self, valid_only=False) -> pd.DataFrame:
         if self.__scheduler_address is None:
-            return self._df
+            if valid_only:
+                return self.filter_valid(self._df)
+            else:
+                return self._df
         else:
             # scheduler がまだ存命か確認する
             try:
                 with Lock('access-df'):
                     client_: 'Client' = get_client(self.__scheduler_address)
                     if 'df' in client_.list_datasets():
-                        return client_.get_dataset('df')
+                        if valid_only:
+                            return self.filter_valid(client_.get_dataset('df'))
+                        else:
+                            return client_.get_dataset('df')
                     else:
                         logger.debug('Access df of History before it is initialized.')
                         return pd.DataFrame()
@@ -806,17 +827,19 @@ class History:
         df['non_domi'] = False
 
         # feasible のものに non_domi の評価結果を代入する
-        df.loc[idx, 'non_domi'] = non_domi
+        if len(non_domi) > 0:
+            df.loc[idx, 'non_domi'] = non_domi
 
     def _calc_hypervolume(self, objectives, df):
 
+        # 単目的最適化ならば 0 埋めして終了
         if len(objectives) < 2:
             df.loc[len(df) - 1, 'hypervolume'] = 0.
             return
 
         # 最小化問題に変換された objective values を取得
         raw_objective_values = df[self.obj_names].values
-        objective_values = np.empty_like(raw_objective_values)
+        objective_values = np.full_like(raw_objective_values, np.nan)
         for n_trial in range(len(raw_objective_values)):
             for obj_idx, (_, objective) in enumerate(objectives.items()):
                 objective_values[n_trial, obj_idx] = objective.convert(raw_objective_values[n_trial, obj_idx])
@@ -830,13 +853,20 @@ class History:
             pareto_set_ = np.empty((0, len(self.obj_names)))
             for i in range(len(objective_values_)):
                 target = objective_values_[i]
-                dominated = False
-                # TODO: Array の計算に直して高速化する
-                for j in range(len(objective_values_)):
-                    compare = objective_values_[j]
-                    if all(target > compare):
-                        dominated = True
-                        break
+
+                if any(np.isnan(target)):
+                    # infeasible な場合 pareto_set の計算に含めない
+                    dominated = True
+
+                else:
+                    dominated = False
+                    # TODO: Array の計算に直して高速化する
+                    for j in range(len(objective_values_)):
+                        compare = objective_values_[j]
+                        if all(target > compare):
+                            dominated = True
+                            break
+
                 if not dominated:
                     pareto_set_ = np.concatenate([pareto_set_, [target]], axis=0)
 
@@ -848,34 +878,63 @@ class History:
             else:
                 return pareto_set_
 
+        def get_valid_worst_converted_objective_values(objective_values_: np.ndarray) -> np.ndarray:
+            # objective_values.max(axis=0)
+            ret = []
+            for row in objective_values_:
+                if not any(np.isnan(row)):
+                    ret.append(row)
+            return np.array(ret).max(axis=0)
+
         if self._hv_reference == 'dynamic-pareto':
             pareto_set, pareto_set_list = get_pareto(objective_values, with_partial=True)
             for i, partial_pareto_set in enumerate(pareto_set_list):
-                ref_point = pareto_set.max(axis=0) + 1e-8
-                hv = compute_hypervolume(partial_pareto_set, ref_point)
-                df.loc[i, 'hypervolume'] = hv
+                # 並列計算時など Valid な解がまだ一つもない場合は pareto_set が長さ 0 になる
+                # その場合 max() を取るとエラーになる
+                if len(pareto_set) == 0:
+                    df.loc[i, 'hypervolume'] = 0
+                else:
+                    ref_point = pareto_set.max(axis=0) + 1e-8
+                    hv = compute_hypervolume(partial_pareto_set, ref_point)
+                    df.loc[i, 'hypervolume'] = hv
             return
 
         elif self._hv_reference == 'dynamic-nadir':
             _, pareto_set_list = get_pareto(objective_values, with_partial=True)
             for i, partial_pareto_set in enumerate(pareto_set_list):
-                ref_point = objective_values.max(axis=0) + 1e-8
-                hv = compute_hypervolume(partial_pareto_set, ref_point)
-                df.loc[i, 'hypervolume'] = hv
+                # filter valid objective values only
+                values = get_valid_worst_converted_objective_values(objective_values)
+
+                # 並列計算時など Valid な解がまだ一つもない場合は長さ 0 になる
+                # その場合 max() を取るとエラーになる
+                if len(values) == 0:
+                    df.loc[i, 'hypervolume'] = 0
+
+                else:
+                    ref_point = values.max(axis=0) + 1e-8
+                    hv = compute_hypervolume(partial_pareto_set, ref_point)
+                    df.loc[i, 'hypervolume'] = hv
             return
 
         elif self._hv_reference == 'nadir':
             pareto_set = get_pareto(objective_values)
-            ref_point = objective_values.max(axis=0) + 1e-8
-            hv = compute_hypervolume(pareto_set, ref_point)
-            df.loc[len(df) - 1, 'hypervolume'] = hv
+            values = get_valid_worst_converted_objective_values(objective_values)
+            if len(values) == 0:
+                df.loc[len(df) - 1, 'hypervolume'] = 0
+            else:
+                ref_point = values.max(axis=0) + 1e-8
+                hv = compute_hypervolume(pareto_set, ref_point)
+                df.loc[len(df) - 1, 'hypervolume'] = hv
             return
 
         elif self._hv_reference == 'pareto':
             pareto_set = get_pareto(objective_values)
-            ref_point = pareto_set.max(axis=0) + 1e-8
-            hv = compute_hypervolume(pareto_set, ref_point)
-            df.loc[len(df) - 1, 'hypervolume'] = hv
+            if len(pareto_set) == 0:
+                df.loc[len(df) - 1, 'hypervolume'] = 0
+            else:
+                ref_point = pareto_set.max(axis=0) + 1e-8
+                hv = compute_hypervolume(pareto_set, ref_point)
+                df.loc[len(df) - 1, 'hypervolume'] = hv
             return
 
         elif (
@@ -935,7 +994,7 @@ class History:
         study = optuna.create_study(**kwargs)
 
         # add trial to study
-        df: pd.DataFrame = self.get_df()
+        df: pd.DataFrame = self.get_df(valid_only=True)
         for i, row in df.iterrows():
             FD = optuna.distributions.FloatDistribution
             kwargs = dict(

pyfemtet/opt/advanced_samples/excel_ui/pyfemtet-core.py

@@ -0,0 +1,291 @@
+"""同梱する femtet-macro.xlsm から pyfemtet を呼び出す際の pyfemtet スクリプト。"""
+
+
+import os
+
+from fire import Fire
+
+
+def get_sampler_class(sampling_method):
+    if sampling_method is None:
+        # default
+        from pyfemtet.opt.optimizer import PoFBoTorchSampler
+        return PoFBoTorchSampler
+    elif sampling_method == 'QMC':
+        from optuna.samplers import QMCSampler
+        return QMCSampler
+    elif sampling_method == 'PoFBoTorch':
+        from pyfemtet.opt.optimizer import PoFBoTorchSampler
+        return PoFBoTorchSampler
+    elif sampling_method == 'Random':
+        from optuna.samplers import RandomSampler
+        return RandomSampler
+    elif sampling_method == 'NSGA2':
+        from optuna.samplers import NSGAIISampler
+        return NSGAIISampler
+    elif sampling_method == 'TPE':
+        from optuna.samplers import TPESampler
+        return TPESampler
+    elif sampling_method == 'BoTorch':
+        from optuna_integration import BoTorchSampler
+        return BoTorchSampler
+    else:
+        raise NotImplementedError(f'The method {sampling_method} is not implemented.')
+
+
+def core(
+        xlsm_path: str,
+        csv_path: str or None,
+        femprj_path: str or None,  # xlsm と同じフォルダに配置する前提。
+        model_name: str or None,
+        input_sheet_name: str,
+
+        output_sheet_name: str or None,
+        constraint_sheet_name: str or None,
+        procedure_name: str or None,  # 引数に拡張子を除く femprj ファイル名を取るように実装すること
+        setup_procedure_name: str or None,
+        teardown_procedure_name: str or None,
+
+        sampler_class: type('BaseSampler') or None,
+        sampler_kwargs: dict or None,
+
+        n_parallel: int,
+        n_trials: int or None,
+        timeout: float or None,
+        seed: int or None,
+):
+    from pathlib import Path
+    from pyfemtet.opt import FEMOpt, OptunaOptimizer
+    from pyfemtet.opt.interface._excel_interface import ExcelInterface
+
+    procedure_args = []
+    related_file_paths = []
+    if femprj_path is not None:
+        prj_name = os.path.basename(femprj_path).removesuffix('.femprj')
+        procedure_args.append(prj_name)
+        related_file_paths = [Path(femprj_path)]
+    if model_name is not None:
+        procedure_args.append(model_name)
+    if femprj_path is None and model_name is not None:
+        raise NotImplementedError
+
+    fem = ExcelInterface(
+        input_xlsm_path=xlsm_path,
+        input_sheet_name=input_sheet_name,
+        output_xlsm_path=None,
+        output_sheet_name=output_sheet_name,
+        constraint_xlsm_path=None,
+        constraint_sheet_name=constraint_sheet_name,
+        procedure_name=procedure_name,
+        procedure_args=procedure_args,
+        connect_method='new',
+        setup_procedure_name=setup_procedure_name,
+        teardown_procedure_name=teardown_procedure_name,
+        related_file_paths=related_file_paths,
+        visible=False,
+        interactive=True,
+    )
+
+    opt = OptunaOptimizer(
+        sampler_class=sampler_class,
+        sampler_kwargs=sampler_kwargs,
+    )
+
+    femopt = FEMOpt(
+        fem=fem,
+        opt=opt,
+        history_path=csv_path,
+    )
+
+    if seed is not None:
+        femopt.set_random_seed(42)
+
+    femopt.optimize(
+        n_trials=n_trials,
+        n_parallel=n_parallel,
+        timeout=timeout,
+        confirm_before_exit=True,
+    )
+
+
+def main(
+        # これらは Fire キーワード引数指定できるように None を与えているが必須
+        xlsm_path: str = None,
+        input_sheet_name: str = None,
+        n_parallel: int = 1,
+        output_sheet_name: str or None = None,
+
+        femprj_path: str or None = None,  # 指定する場合は xlsm と同じフォルダに配置する前提にすること
+        model_name: str = None,
+        csv_path: str or None = None,
+        constraint_sheet_name: str or None = None,
+        procedure_name: str or None = None,  # 引数に拡張子を除く femprj ファイル名を取るように実装すること
+        setup_procedure_name: str or None = None,
+        teardown_procedure_name: str or None = None,
+
+        algorithm: str or None = None,
+
+        n_trials: int or None = None,
+        timeout: float or None = None,
+        seed: int or None = None,
+
+        **algorithm_settings: dict,
+
+):
+    import sys
+    import inspect
+    from pyfemtet.logger import get_module_logger
+
+    # ----- Fire memo -----
+    # print(csv_path)  # 与えなければ None
+    # print(algorithm_settings)  # 与えなければ {}, 与えれば {'n_startup_trials': 10} など
+    # print(n_parallel, type(n_parallel))  # int か float に自動変換される
+    # print(timeout, type(timeout))  # int か float に自動変換される
+
+
+    # ----- check 必須 args -----
+    logger = get_module_logger('opt.script', __name__)
+
+    os.chdir(os.path.dirname(__file__))
+
+    if xlsm_path is None:
+        logger.error(f'xlsm_path を指定してください。')
+        input('終了するには Enter を押してください。')
+        sys.exit(1)
+
+    if input_sheet_name is None:
+        logger.error(f'input_sheet_name を指定してください。')
+        input('終了するには Enter を押してください。')
+        sys.exit(1)
+
+    if output_sheet_name is None:
+        logger.error(f'output_sheet_name を指定してください。')
+        input('終了するには Enter を押してください。')
+        sys.exit(1)
+
+
+    # ----- check args -----
+    logger.info(f'{os.path.basename(__file__)} は {os.path.basename(xlsm_path)} に呼び出されました.')
+
+    # xlsm_path
+    xlsm_path = os.path.abspath(xlsm_path)
+    if not os.path.exists(xlsm_path):
+        logger.error(f'{xlsm_path} が見つかりませんでした。')
+        input('終了するには Enter を押してください。')
+        sys.exit(1)
+
+    # femprj_path
+    if femprj_path is not None:
+        femprj_path = os.path.abspath(femprj_path)
+        if not os.path.exists(femprj_path):
+            logger.error(f'{femprj_path} が見つかりませんでした。')
+            input('終了するには Enter を押してください。')
+            sys.exit(1)
+
+    # model_name
+    if model_name is not None and femprj_path is None:
+        logger.error(f'model_name ({model_name}) を指定する場合は femprj_path も指定してください。')
+        input('終了するには Enter を押してください。')
+        sys.exit(1)
+
+    # n_parallel
+    try:
+        n_parallel = int(n_parallel)
+    except ValueError:
+        logger.error(f'n_parallel ({n_parallel}) は自然数にできません。')
+        input('終了するには Enter を押してください。')
+        sys.exit(1)
+
+    # csv_path
+    csv_path = os.path.abspath(csv_path) if csv_path is not None else csv_path
+
+    # n_trials
+    if n_trials is not None:
+        try:
+            n_trials = int(n_trials)
+        except ValueError:
+            logger.error(f'n_trials ({n_trials}) は自然数にできません。')
+            input('終了するには Enter を押してください。')
+            sys.exit(1)
+
+    # timeout
+    if timeout is not None:
+        try:
+            timeout = float(timeout)
+        except ValueError:
+            logger.error(f'timeout ({timeout}) は数値にできません。')
+            input('終了するには Enter を押してください。')
+            sys.exit(1)
+
+    # seed
+    if seed is not None:
+        try:
+            seed = int(seed)
+        except ValueError:
+            logger.error(f'seed ({seed}) は自然数にできません。')
+            input('終了するには Enter を押してください。')
+            sys.exit(1)
+
+    # sampler
+    try:
+        sampler_class = get_sampler_class(algorithm)
+    except NotImplementedError:
+        logger.error(f'algorithm ({algorithm}) は非対応です。')
+        input('終了するには Enter を押してください。')
+        sys.exit(1)
+
+    # sampler_kwargs
+    sampler_kwargs = algorithm_settings
+    # noinspection PyUnboundLocalVariable
+    available_sampler_kwarg_keys = inspect.signature(sampler_class).parameters.keys()
+    for given_key in sampler_kwargs.keys():
+        if given_key not in available_sampler_kwarg_keys:
+            print()
+            print(sampler_class.__doc__)
+            print()
+            logger.error(f'algorithm_setting の項目 ({given_key}) は {sampler_class.__name__} に設定できません。詳しくは上記のドキュメントをご覧ください。')
+            input('終了するには Enter を押してください。')
+            sys.exit(1)
+
+    logger.info('引数の整合性チェックが終了しました。最適化を実行します。しばらくお待ちください...')
+
+    core(
+        xlsm_path,
+        csv_path,
+        femprj_path,  # xlsm と同じフォルダに配置する前提。
+        model_name,
+        input_sheet_name,
+
+        output_sheet_name,
+        constraint_sheet_name,
+        procedure_name,  # 引数に拡張子を除く femprj ファイル名を取るように実装すること
+        setup_procedure_name,
+        teardown_procedure_name,
+
+        sampler_class,
+        sampler_kwargs,
+
+        n_parallel,
+        n_trials,
+        timeout,
+        seed,
+    )
+
+
+if __name__ == '__main__':
+    Fire(main)
+
+    # ===== Debug Code =====
+    # import os
+    # os.chdir(os.path.dirname(__file__))
+    # main(
+    #     xlsm_path='インターフェース.xlsm',
+    #     input_sheet_name='設計変数',
+    #     n_parallel=1,
+    #     output_sheet_name='目的関数',
+    #     constraint_sheet_name='拘束関数',
+    #     procedure_name='FemtetMacro.FemtetMain',
+    #     setup_procedure_name='setup',
+    #     teardown_procedure_name='teardown',
+    #     n_trials=3,
+    # )

pyfemtet/opt/advanced_samples/excel_ui/test-pyfemtet-core.cmd

@@ -0,0 +1,22 @@
+cd %~dp0
+rem poetry run python pyfemtet-core.py --help
+rem poetry run python pyfemtet-core.py "xlsm" "femprj" "input_sheet" 3
+rem poetry run python pyfemtet-core.py "xlsm" "femprj" "input_sheet" 3 --n_startup_trials=10 --timeout=3.14
+rem poetry run python pyfemtet-core.py "xlsm" "femprj" "input_sheet" 3 --n_startup_trials=10 --timeout=5
+rem poetry run python pyfemtet-core.py "xlsm" "femprj" "input_sheet" 3.14 --n_startup_trials=10 --timeout=5
+poetry run python pyfemtet-core.py ^
+    �C���^�[�t�F�[�X.xlsm ^
+    --input_sheet_name="�݌v�ϐ�" ^
+    --output_sheet_name="�ړI�֐�" ^
+    --constraint_sheet_name="�S���֐�" ^
+
+    --n_parallel=1 ^
+    --csv_path="test.csv" ^
+    --procedure_name=FemtetMacro.FemtetMain ^
+    --setup_procedure_name=PrePostProcessing.setup ^
+    --teardown_procedure_name=PrePostProcessing.teardown ^
+
+    --algorithm=Random ^
+    --n_startup_trials=10 ^
+
+pause