Profile Sampler

cobaya/run.py

@@ -32,6 +32,7 @@ def run(info_or_yaml_or_file: Union[InputDict, str, os.PathLike],
         stop_at_error: Optional[bool] = None,
         resume: Optional[bool] = None, force: Optional[bool] = None,
         minimize: Optional[bool] = None,
+        profile: Optional[bool] = None,
         no_mpi: bool = False, test: Optional[bool] = None,
         override: Optional[InputDict] = None,
         allow_changes: bool = False
@@ -48,6 +49,7 @@ def run(info_or_yaml_or_file: Union[InputDict, str, os.PathLike],
     :param resume: continue an existing run
     :param force: overwrite existing output if it exists
     :param minimize: if true, ignores the sampler and runs default minimizer
+    :param profile: if true, ignores the sampler and runs the profiler
     :param no_mpi: run without MPI
     :param test: only test initialization rather than actually running
     :param override: option dictionary to merge into the input one, overriding settings
@@ -64,7 +66,7 @@ def run(info_or_yaml_or_file: Union[InputDict, str, os.PathLike],
     with mpi.ProcessState("run"):
         flags = {packages_path_input: packages_path, "debug": debug,
                  "stop_at_error": stop_at_error, "resume": resume, "force": force,
-                 "minimize": minimize, "test": test}
+                 "minimize": minimize, "profile": profile, "test": test}
         info: InputDict = load_info_overrides(
             info_or_yaml_or_file, override or {}, **flags)
         logger_setup(info.get("debug"))
@@ -76,6 +78,11 @@ def run(info_or_yaml_or_file: Union[InputDict, str, os.PathLike],
                 if which_sampler.lower() != "minimize":
                     info["sampler"] = {"minimize": None}
                     which_sampler = "minimize"
+            if info.get("profile"):  # type: ignore
+                # Preserve options if "profile" was already the sampler
+                if which_sampler.lower() != "profile":
+                    info["sampler"] = {"profile": None}
+                    which_sampler = "profile"
         except (KeyError, TypeError) as excpt:
             if not info.get("post"):
                 raise LoggedError(
@@ -180,6 +187,9 @@ def run_script(args=None):
                         help=("Replaces the sampler in the input and runs a minimization "
                               "process (incompatible with post-processing)."),
                         **trueNone_kwargs)
+    parser.add_argument("-P", "--profile",
+                        help=("Replaces the sampler in the input and runs a profiling "
+                              "process (incompatible with post-processing).")),
     parser.add_argument("--allow-changes",
                         help="Allow changing input parameters when resuming "
                              "or minimizing, skipping consistency checks",

cobaya/sampler.py

@@ -114,7 +114,7 @@ def check_sampler_info(info_old: Optional[SamplersDict],
     #     info_new.update({"minimize": aux})
     #     info_old = {}
     #     keep_old = {}
-    if list(info_old) != list(info_new) and list(info_new) == ["minimize"]:
+    if list(info_old) != list(info_new) and (list(info_new) == ["minimize"] or list(info_new) == ["profile"]):
         return
     if list(info_old) == list(info_new):
         # Restore some selected old values for some classes

cobaya/samplers/minimize/minimize.py

@@ -316,8 +316,6 @@ def minuslogp_transf(x):
                     result = iminuit.minimize(**self.kwargs, method="migrad")
                     if not (success := result.success):
                         self.log.error(result.message)
-                    if mpi.get_mpi_size() > 1:
-                        result.pop("minuit")  # problem with pickle/mpi?
                 else:
                     self.kwargs = {
                         "fun": minuslogp_transf,

cobaya/samplers/profile/__init__.py

@@ -0,0 +1 @@
+from .profile import Profile

cobaya/samplers/profile/profile.bibtex

@@ -0,0 +1,85 @@
+### If using Py-BOBYQA ###
+
+@ARTICLE{BOBYQA,
+       author = {J. D. Powell, M},
+         year = {2009},
+        month = {01},
+        pages = {},
+        title = {The BOBYQA Algorithm for Bound Constrained Optimization without Derivatives},
+      journal = {Technical Report, Department of Applied Mathematics and Theoretical Physics}
+}
+
+@ARTICLE{2018arXiv180400154C,
+       author = {{Cartis}, Coralia and {Fiala}, Jan and {Marteau}, Benjamin and {Roberts}, Lindon},
+        title = "{Improving the Flexibility and Robustness of Model-Based Derivative-Free Optimization Solvers}",
+      journal = {arXiv e-prints},
+     keywords = {Mathematics - Optimization and Control},
+         year = "2018",
+        month = "Mar",
+          eid = {arXiv:1804.00154},
+        pages = {arXiv:1804.00154},
+archivePrefix = {arXiv},
+       eprint = {1804.00154},
+ primaryClass = {math.OC},
+       adsurl = {https://ui.adsabs.harvard.edu/abs/2018arXiv180400154C},
+      adsnote = {Provided by the SAO/NASA Astrophysics Data System}
+}
+
+
+@ARTICLE{2018arXiv181211343C,
+       author = {{Cartis}, Coralia and {Roberts}, Lindon and {Sheridan-Methven}, Oliver},
+        title = "{Escaping local minima with derivative-free methods: a numerical investigation}",
+      journal = {arXiv e-prints},
+     keywords = {Mathematics - Optimization and Control},
+         year = "2018",
+        month = "Dec",
+          eid = {arXiv:1812.11343},
+        pages = {arXiv:1812.11343},
+archivePrefix = {arXiv},
+       eprint = {1812.11343},
+ primaryClass = {math.OC},
+       adsurl = {https://ui.adsabs.harvard.edu/abs/2018arXiv181211343C},
+      adsnote = {Provided by the SAO/NASA Astrophysics Data System}
+}
+
+
+### If using scipy ###
+
+@ARTICLE{2020SciPy-NMeth,
+  author  = {Virtanen, Pauli and Gommers, Ralf and Oliphant, Travis E. and
+            Haberland, Matt and Reddy, Tyler and Cournapeau, David and
+            Burovski, Evgeni and Peterson, Pearu and Weckesser, Warren and
+            Bright, Jonathan and {van der Walt}, St{\'e}fan J. and
+            Brett, Matthew and Wilson, Joshua and Millman, K. Jarrod and
+            Mayorov, Nikolay and Nelson, Andrew R. J. and Jones, Eric and
+            Kern, Robert and Larson, Eric and Carey, C J and
+            Polat, {\.I}lhan and Feng, Yu and Moore, Eric W. and
+            {VanderPlas}, Jake and Laxalde, Denis and Perktold, Josef and
+            Cimrman, Robert and Henriksen, Ian and Quintero, E. A. and
+            Harris, Charles R. and Archibald, Anne M. and
+            Ribeiro, Ant{\^o}nio H. and Pedregosa, Fabian and
+            {van Mulbregt}, Paul and {SciPy 1.0 Contributors}},
+  title   = {{{SciPy} 1.0: Fundamental Algorithms for Scientific
+            Computing in Python}},
+  journal = {Nature Methods},
+  year    = {2020},
+  volume  = {17},
+  pages   = {261--272},
+  adsurl  = {https://rdcu.be/b08Wh},
+  doi     = {10.1038/s41592-019-0686-2},
+}
+
+### If using iMinuit ###
+
+@ARTICLE{1975CoPhC..10..343J,
+       author = {James, Frederick and Roos, Matts},
+        title = "{Minuit - a system for function minimization and analysis of the parameter errors and correlations}",
+      journal = {Computer Physics Communications},
+         year = 1975,
+        month = dec,
+       volume = {10},
+       number = {6},
+        pages = {343-367},
+          doi = {10.1016/0010-4655(75)90039-9},
+       adsurl = {https://ui.adsabs.harvard.edu/abs/1975CoPhC..10..343J},
+}