Merge pull request #8 from pasqal-io/jm/add_constructors

[Feature] Add constructors

docs/sample_page.md

@@ -1,8 +1,6 @@
 This is just a sample notebook to showcase the rendering of Jupyter notebooks in the documentation.
 
 ```python exec="on" source="material-block" session="main"
-from qadence_libs.main import main
-
-msg = main()
+msg = "To be udpated"
 print(msg)
 ```

pyproject.toml

@@ -9,9 +9,10 @@ readme = "README.md"
 authors = [
     { name = "Mario Dagrada", email = "mario.dagrada@pasqal.com" },
     { name = "Roland Guichard", email = "roland.guichard@pasqal.com" },
-    { name = "Raja Selvarajan", email = "raja.selvarajan@pasqal.com" },
-    { name = "Gergana Velikova", email = "gergana.velikova@pasqal.com" },
-
+    { name = "João Moutinho", email = "joao.moutinho@pasqal.com" },
+    { name = "Vincent Elfving", email = "vincent.elfving@pasqal.com" },
+    { name = "Dominik Seitz", email = "dominik.seitz@pasqal.com" },
+    { name = "Niklas Heim", email = "niklas.heim@pasqal.com" },
 ]
 requires-python = ">=3.9,<3.12"
 license = {text = "Apache 2.0"}
@@ -29,14 +30,18 @@ classifiers=[
 ]
 dependencies = [
     "torch",
-    "qutip==4.7.2",
     "qadence[braket, pulser, horqrux]==1.2.7",
 ]
 
 [tool.hatch.metadata]
 allow-direct-references = true
 allow-ambiguous-features = true
 
+[project.optional-dependencies]
+visualization = [
+  "graphviz",
+]
+
 [tool.hatch.envs.default]
 dependencies = [
   "flaky",
@@ -53,6 +58,8 @@ dependencies = [
   "pydocstringformatter",
 ]
 
+features = ["visualization"]
+
 [tool.hatch.envs.default.scripts]
 test = "pytest -n auto --cov-report lcov --cov-config=pyproject.toml --cov=qadence_libs --cov=tests --ignore=./tests/test_examples.py {args}"
 test-examples = "pytest ./tests/test_examples.py {args}"

qadence_libs/__init__.py

@@ -0,0 +1,24 @@
+from __future__ import annotations
+
+from importlib import import_module
+
+from .constructors import *
+
+"""Fetch the functions defined in the __all__ of each sub-module.
+
+Import to the qadence name space. Make sure each added submodule has the respective definition:
+
+    - `__all__ = ["function0", "function1", ...]`
+
+Furthermore, add the submodule to the list below to automatically build
+the __all__ of the qadence namespace. Make sure to keep alphabetical ordering.
+"""
+
+list_of_submodules = [
+    ".constructors",
+]
+
+__all__ = []
+for submodule in list_of_submodules:
+    __all_submodule__ = getattr(import_module(submodule, package="qadence_libs"), "__all__")
+    __all__ += __all_submodule__

qadence_libs/constructors/__init__.py

@@ -0,0 +1,29 @@
+# flake8: noqa
+
+from .feature_maps import (
+    feature_map,
+    exp_fourier_feature_map,
+)
+
+from .hea import hea
+
+from .iia import identity_initialized_ansatz
+
+from .rydberg_hea import rydberg_hea, rydberg_hea_layer
+from .rydberg_feature_maps import rydberg_feature_map, analog_feature_map, rydberg_tower_feature_map
+
+from .qft import qft
+
+# Modules to be automatically added to the qadence namespace
+__all__ = [
+    "feature_map",
+    "exp_fourier_feature_map",
+    "hea",
+    "identity_initialized_ansatz",
+    "qft",
+    "rydberg_hea",
+    "rydberg_hea_layer",
+    "rydberg_feature_map",
+    "analog_feature_map",
+    "rydberg_tower_feature_map",
+]

qadence_libs/constructors/feature_maps.py

@@ -0,0 +1,233 @@
+from __future__ import annotations
+
+from collections.abc import Callable
+from math import isclose
+from typing import Union
+
+from qadence.blocks import AbstractBlock, KronBlock, chain, kron, tag
+from qadence.logger import get_logger
+from qadence.operations import PHASE, RX, RY, RZ, H
+from qadence.parameters import FeatureParameter, Parameter, VariationalParameter
+from qadence.types import PI, BasisSet, ReuploadScaling, TParameter
+from sympy import Basic, acos
+
+logger = get_logger(__name__)
+
+ROTATIONS = [RX, RY, RZ, PHASE]
+RotationTypes = type[Union[RX, RY, RZ, PHASE]]
+
+
+def _set_range(fm_type: BasisSet | Callable | str) -> tuple[float, float]:
+    if fm_type == BasisSet.FOURIER:
+        return (0.0, 2 * PI)
+    elif fm_type == BasisSet.CHEBYSHEV:
+        return (-1.0, 1.0)
+    else:
+        return (0.0, 1.0)
+
+
+RS_FUNC_DICT = {
+    ReuploadScaling.CONSTANT: lambda i: 1,
+    ReuploadScaling.TOWER: lambda i: float(i + 1),
+    ReuploadScaling.EXP: lambda i: float(2**i),
+}
+
+
+def fm_parameter_scaling(
+    fm_type: BasisSet | Callable | str,
+    param: Parameter | str = "phi",
+    feature_range: tuple[float, float] | None = None,
+    target_range: tuple[float, float] | None = None,
+) -> Parameter | Basic:
+    if isinstance(param, Parameter):
+        fparam = param
+        fparam.trainable = False
+    else:
+        fparam = FeatureParameter(param)
+
+    # Set feature and target range
+    feature_range = _set_range(fm_type) if feature_range is None else feature_range
+    target_range = _set_range(fm_type) if target_range is None else target_range
+
+    # Rescale the feature parameter
+    scaling = (max(target_range) - min(target_range)) / (max(feature_range) - min(feature_range))
+    shift = min(target_range) - min(feature_range) * scaling
+
+    if isclose(scaling, 1.0):
+        # So we don't get 1.0 factor in visualization
+        scaled_fparam = fparam + shift
+    else:
+        scaled_fparam = scaling * fparam + shift
+
+    return scaled_fparam
+
+
+def fm_parameter_func(fm_type: BasisSet | Callable | str) -> Callable:
+    def ident_fn(x: TParameter) -> TParameter:
+        return x
+
+    # Transform feature parameter
+    if fm_type == BasisSet.FOURIER:
+        transform_func = ident_fn
+    elif fm_type == BasisSet.CHEBYSHEV:
+        transform_func = acos
+    elif callable(fm_type):
+        transform_func = fm_type
+    else:
+        raise NotImplementedError(
+            f"Feature map type {fm_type} not implemented. Choose an item from the BasisSet "
+            f"enum: {BasisSet.list()}, or a custom defined sympy function to wrap "
+            "the given feature parameter with."
+        )
+
+    return transform_func
+
+
+def fm_reupload_scaling_fn(
+    reupload_scaling: ReuploadScaling | Callable | str = ReuploadScaling.CONSTANT,
+) -> tuple[Callable, str]:
+    # Set reupload scaling function
+    if callable(reupload_scaling):
+        rs_func = reupload_scaling
+        rs_tag = "Custom"
+    else:
+        rs_func = RS_FUNC_DICT.get(reupload_scaling, None)  # type: ignore [call-overload]
+        if rs_func is None:
+            raise NotImplementedError(
+                f"Reupload scaling {reupload_scaling} not implemented; choose an item from "
+                f"the ReuploadScaling enum: {[rs.name for rs in ReuploadScaling]}, or your own "
+                "python function with a single int arg as input and int or float output."
+            )
+        if isinstance(reupload_scaling, ReuploadScaling):
+            rs_tag = reupload_scaling.value
+        else:
+            rs_tag = reupload_scaling
+
+    return rs_func, rs_tag
+
+
+def feature_map(
+    n_qubits: int,
+    support: tuple[int, ...] | None = None,
+    param: Parameter | str = "phi",
+    op: RotationTypes = RX,
+    fm_type: BasisSet | Callable | str = BasisSet.FOURIER,
+    reupload_scaling: ReuploadScaling | Callable | str = ReuploadScaling.CONSTANT,
+    feature_range: tuple[float, float] | None = None,
+    target_range: tuple[float, float] | None = None,
+    multiplier: Parameter | TParameter | None = None,
+    param_prefix: str | None = None,
+) -> KronBlock:
+    """Construct a feature map of a given type.
+
+    Arguments:
+        n_qubits: Number of qubits the feature map covers. Results in `support=range(n_qubits)`.
+        support: Puts one feature-encoding rotation gate on every qubit in `support`. n_qubits in
+            this case specifies the total overall qubits of the circuit, which may be wider than the
+            support itself, but not narrower.
+        param: Parameter of the feature map; you can pass a string or Parameter;
+            it will be set as non-trainable (FeatureParameter) regardless.
+        op: Rotation operation of the feature map; choose from RX, RY, RZ or PHASE.
+        fm_type: Basis set for data encoding; choose from `BasisSet.FOURIER` for Fourier
+            encoding, or `BasisSet.CHEBYSHEV` for Chebyshev polynomials of the first kind.
+        reupload_scaling: how the feature map scales the data that is re-uploaded for each qubit.
+            choose from `ReuploadScaling` enumeration or provide your own function with a single
+            int as input and int or float as output.
+        feature_range: range of data that the input data provided comes from. Used to map input data
+            to the correct domain of the feature-encoding function.
+        target_range: range of data the data encoder assumes as the natural range. For example,
+            in Chebyshev polynomials it is (-1, 1), while for Fourier it may be chosen as (0, 2*PI).
+            Used to map data to the correct domain of the feature-encoding function.
+        multiplier: overall multiplier; this is useful for reuploading the feature map serially with
+            different scalings; can be a number or parameter/expression.
+        param_prefix: string prefix to create trainable parameters multiplying the feature parameter
+            inside the feature-encoding function. Note that currently this does not take into
+            account the domain of the feature-encoding function.
+
+    Example:
+    ```python exec="on" source="material-block" result="json"
+    from qadence_libs import feature_map, BasisSet, ReuploadScaling
+
+    fm = feature_map(3, fm_type=BasisSet.FOURIER)
+    print(f"{fm = }")
+
+    fm = feature_map(3, fm_type=BasisSet.CHEBYSHEV)
+    print(f"{fm = }")
+
+    fm = feature_map(3, fm_type=BasisSet.FOURIER, reupload_scaling = ReuploadScaling.TOWER)
+    print(f"{fm = }")
+    ```
+    """
+
+    # Process input
+    if support is None:
+        support = tuple(range(n_qubits))
+    elif len(support) != n_qubits:
+        raise ValueError("Wrong qubit support supplied")
+
+    if op not in ROTATIONS:
+        raise ValueError(
+            f"Operation {op} not supported. "
+            f"Please provide one from {[rot.__name__ for rot in ROTATIONS]}."
+        )
+
+    scaled_fparam = fm_parameter_scaling(
+        fm_type, param, feature_range=feature_range, target_range=target_range
+    )
+
+    transform_func = fm_parameter_func(fm_type)
+
+    basis_tag = fm_type.value if isinstance(fm_type, BasisSet) else str(fm_type)
+    rs_func, rs_tag = fm_reupload_scaling_fn(reupload_scaling)
+
+    # Set overall multiplier
+    multiplier = 1 if multiplier is None else Parameter(multiplier)
+
+    # Build feature map
+    op_list = []
+    fparam = scaled_fparam
+    for i, qubit in enumerate(support):
+        if param_prefix is not None:
+            train_param = VariationalParameter(param_prefix + f"_{i}")
+            fparam = train_param * scaled_fparam
+        op_list.append(op(qubit, multiplier * rs_func(i) * transform_func(fparam)))
+    fm = kron(*op_list)
+
+    fm.tag = rs_tag + " " + basis_tag + " FM"
+
+    return fm
+
+
+def exp_fourier_feature_map(
+    n_qubits: int,
+    support: tuple[int, ...] = None,
+    param: str = "x",
+    feature_range: tuple[float, float] = None,
+) -> AbstractBlock:
+    """
+    Exponential fourier feature map.
+
+    Args:
+        n_qubits: number of qubits in the feature
+        support: qubit support
+        param: name of feature `Parameter`
+        feature_range: min and max value of the feature, as floats in a Tuple
+    """
+
+    if feature_range is None:
+        feature_range = (0.0, 2.0**n_qubits)
+
+    support = tuple(range(n_qubits)) if support is None else support
+    hlayer = kron(H(qubit) for qubit in support)
+    rlayer = feature_map(
+        n_qubits,
+        support=support,
+        param=param,
+        op=RZ,
+        fm_type=BasisSet.FOURIER,
+        reupload_scaling=ReuploadScaling.EXP,
+        feature_range=feature_range,
+        target_range=(0.0, 2 * PI),
+    )
+    rlayer.tag = None
+    return tag(chain(hlayer, rlayer), f"ExpFourierFM({param})")