emu-mps 2.5.2__py3-none-any.whl → 2.6.0__py3-none-any.whl

emu_mps/__init__.py

@@ -36,4 +36,4 @@ __all__ = [
     "EntanglementEntropy",
 ]
 
-__version__ = "2.5.2"
+__version__ = "2.6.0"

emu_mps/mps_config.py

@@ -29,8 +29,8 @@ import pathlib
 
 class MPSConfig(EmulationConfig):
     """
-    The configuration of the emu-mps MPSBackend. The kwargs passed to this class
-    are passed on to the base class.
+    The configuration of the emu-mps MPSBackend. The kwargs passed to this
+    class are passed on to the base class.
     See the API for that class for a list of available options.
 
     Args:
@@ -38,26 +38,34 @@ class MPSConfig(EmulationConfig):
             only calculated if the evaluation_times are divisible by dt.
         precision: Up to what precision the state is truncated.
             Defaults to `1e-5`.
-        max_bond_dim: The maximum bond dimension that the state is allowed to have.
+        max_bond_dim: The maximum bond dimension that the state is allowed
+            to have.
             Defaults to `1024`.
         max_krylov_dim:
-            The size of the krylov subspace that the Lanczos algorithm maximally builds
+            The size of the krylov subspace that the Lanczos algorithm
+            maximally builds
         extra_krylov_tolerance:
-            The Lanczos algorithm uses this*precision as the convergence tolerance
+            The Lanczos algorithm uses this*precision as the convergence
+            tolerance
         num_gpus_to_use: number of GPUs to be used in a given simulation.
-            - if it is set to a number `n > 0`, the state will be distributed across `n` GPUs.
+            - if it is set to a number `n > 0`, the state will be distributed
+                across `n` GPUs.
             - if it is set to `n = 0`, the entire simulation runs on the CPU.
-            - if it is `None` (the default value), the backend internally chooses the number of GPUs
+            - if it is `None` (the default value), the backend internally
+                chooses the number of GPUs
             based on the hardware availability during runtime.
         As shown in the benchmarks, using multiple GPUs might
-            alleviate memory pressure per GPU, but the runtime should be similar.
-        optimize_qubit_ordering: Optimize the register ordering. Improves performance and
-            accuracy, but disables certain features.
-        interaction_cutoff: Set interaction coefficients below this value to `0`.
-            Potentially improves runtime and memory consumption.
-        log_level: How much to log. Set to `logging.WARN` to get rid of the timestep info.
+            alleviate memory pressure per GPU, but the runtime should
+            be similar.
+        optimize_qubit_ordering: Optimize the register ordering. Improves
+            performance and accuracy, but disables certain features.
+        interaction_cutoff: Set interaction coefficients Uᵢⱼ below this value
+            to `0.0`. Potentially improves runtime and memory consumption.
+        log_level: How much to log. Set to `logging.WARN` to get rid of the
+            timestep info.
         log_file: If specified, log to this file rather than stout.
-        autosave_prefix: filename prefix for autosaving simulation state to file
+        autosave_prefix: filename prefix for autosaving simulation state to
+            file
         autosave_dt: Minimum time interval in seconds between two autosaves.
             Saving the simulation state is only possible at specific times,
             therefore this interval is only a lower bound.
@@ -95,7 +103,7 @@ class MPSConfig(EmulationConfig):
         log_level: int = logging.INFO,
         log_file: pathlib.Path | None = None,
         autosave_prefix: str = "emu_mps_save_",
-        autosave_dt: int = 600,  # 10 minutes
+        autosave_dt: int | float = float("inf"),  # disable autosave by default
         solver: Solver = Solver.TDVP,
         **kwargs: Any,
     ):
@@ -116,14 +124,30 @@ class MPSConfig(EmulationConfig):
             solver=solver,
             **kwargs,
         )
+        self.logger = init_logging(log_level, log_file)
 
         MIN_AUTOSAVE_DT = 10
         assert (
             self.autosave_dt > MIN_AUTOSAVE_DT
         ), f"autosave_dt must be larger than {MIN_AUTOSAVE_DT} seconds"
 
+        MIN_KRYLOV_TOL = 1.0e-12  # keep numerical stability
+        prod_tol = precision * extra_krylov_tolerance
+        if prod_tol < MIN_KRYLOV_TOL:
+            new_extra_krylov_tolerance = MIN_KRYLOV_TOL / precision
+            self.logger.warning(
+                f"Requested Lanczos convergence tolerance "
+                f"(precision * extra_krylov_tolerance = {prod_tol:.2e}) "
+                f"is below minimum threshold {MIN_KRYLOV_TOL:.2e}. "
+                f"Automatically adjusting extra_krylov_tolerance from "
+                f"{extra_krylov_tolerance:.2e} to {new_extra_krylov_tolerance:.2e} "
+                f"to maintain numerical stability."
+            )
+            self.extra_krylov_tolerance = new_extra_krylov_tolerance
+        else:
+            self.extra_krylov_tolerance = extra_krylov_tolerance
+
         self.monkeypatch_observables()
-        self.logger = init_logging(log_level, log_file)
 
         if (self.noise_model.runs != 1 and self.noise_model.runs is not None) or (
             self.noise_model.samples_per_run != 1

{emu_mps-2.5.2.dist-info → emu_mps-2.6.0.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: emu-mps
-Version: 2.5.2
+Version: 2.6.0
 Summary: Pasqal MPS based pulse emulator built on PyTorch
 Project-URL: Documentation, https://pasqal-io.github.io/emulators/
 Project-URL: Repository, https://github.com/pasqal-io/emulators
@@ -25,7 +25,7 @@ Classifier: Programming Language :: Python :: 3.10
 Classifier: Programming Language :: Python :: Implementation :: CPython
 Classifier: Programming Language :: Python :: Implementation :: PyPy
 Requires-Python: >=3.10
-Requires-Dist: emu-base==2.5.2
+Requires-Dist: emu-base==2.6.0
 Description-Content-Type: text/markdown
 
 <div align="center">

{emu_mps-2.5.2.dist-info → emu_mps-2.6.0.dist-info}/RECORD

@@ -1,4 +1,4 @@
-emu_mps/__init__.py,sha256=c-uUpZ6sKJuu0iXuCH5Rle7jHpyadqG_j9qgNH9t5bQ,708
+emu_mps/__init__.py,sha256=yICuhGSXq-UppDZXY4h26sZuDtFNFBHn7y0gCsoAN9w,708
 emu_mps/algebra.py,sha256=VZ5uaX5PYWGqDCpRKKr819BLMMtT0pKDxc2HrlLCdgU,5423
 emu_mps/custom_callback_implementations.py,sha256=WeczmO6qkvBIipvXLqX45i3D7M4ovOrepusIGs6d2Ts,2420
 emu_mps/hamiltonian.py,sha256=OM0bPNZV7J5Egk6aTUwt4GaWqiUOP68ujZBTuqlBY1k,16289
@@ -6,7 +6,7 @@ emu_mps/mpo.py,sha256=WmGDGkCMhlODmydd0b09YcSRlsk6Bg5xYQ4rXSNJvnY,9703
 emu_mps/mps.py,sha256=aIWbd3s4c2lqhzR1IukxOAmRK7kfUFBPHkOOCS3dcPM,21747
 emu_mps/mps_backend.py,sha256=dXcW5Fa2AAL_WlHUgr30WS2l3qiDJgBVebiVpyYWpPM,2064
 emu_mps/mps_backend_impl.py,sha256=WyB1PpC61rzrnr_c3epVZOhDtXLOdhQLsMgUtZQWCYg,30851
-emu_mps/mps_config.py,sha256=btlygf6VDFna9TQus-zOmUqB6pfe_aoQmNoivfvxABk,8251
+emu_mps/mps_config.py,sha256=7-Hsio2gt7twVmr_iHbRNV5wi7omqa9n6HuY0Roa0WU,9228
 emu_mps/observables.py,sha256=4C_ewkd3YkJP0xghTrGUTgXUGvJRCQcetb8cU0SjMl0,1900
 emu_mps/solver.py,sha256=M9xkHhlEouTBvoPw2UYVu6kij7CO4Z1FXw_SiGFtdgo,85
 emu_mps/solver_utils.py,sha256=Q1SY8E3Kipe_RfKE8lAMRfD4mSG2VkkkPmk-fU7eAgY,8852
@@ -14,6 +14,6 @@ emu_mps/utils.py,sha256=rL75H55hB5lDMjy8a_O2PpJq51iZKjSx91X4euxB3mY,7293
 emu_mps/optimatrix/__init__.py,sha256=fBXQ7-rgDro4hcaBijCGhx3J69W96qcw5_3mWc7tND4,364
 emu_mps/optimatrix/optimiser.py,sha256=k9suYmKLKlaZ7ozFuIqvXHyCBoCtGgkX1mpen9GOdOo,6977
 emu_mps/optimatrix/permutations.py,sha256=9DDMZtrGGZ01b9F3GkzHR3paX4qNtZiPoI7Z_Kia3Lc,3727
-emu_mps-2.5.2.dist-info/METADATA,sha256=7i0nH79Bhe-S22wxLyixahqIo94zoCFvQHFyJxKXMps,3587
-emu_mps-2.5.2.dist-info/WHEEL,sha256=WLgqFyCfm_KASv4WHyYy0P3pM_m7J5L9k2skdKLirC8,87
-emu_mps-2.5.2.dist-info/RECORD,,
+emu_mps-2.6.0.dist-info/METADATA,sha256=lClIDf0_pzVhzAtoqzTGg3dcn_0qlF7vBN0bEukVXq0,3587
+emu_mps-2.6.0.dist-info/WHEEL,sha256=WLgqFyCfm_KASv4WHyYy0P3pM_m7J5L9k2skdKLirC8,87
+emu_mps-2.6.0.dist-info/RECORD,,