qilisdk 0.1.4__py3-none-any.whl → 0.1.5__py3-none-any.whl

qilisdk/common/qtensor.py

@@ -0,0 +1,666 @@
+# Copyright 2025 Qilimanjaro Quantum Tech
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+from __future__ import annotations
+
+from collections import defaultdict
+from typing import Iterable, Literal
+
+import numpy as np
+from scipy.sparse import coo_matrix, csr_matrix, issparse, kron, sparray, spmatrix
+from scipy.sparse.linalg import ArpackNoConvergence, eigsh, expm
+from scipy.sparse.linalg import norm as scipy_norm
+
+from qilisdk.yaml import yaml
+
+Complex = int | float | complex
+
+
+def _is_pow2(n: int) -> bool:
+    return n > 0 and (n & (n - 1)) == 0
+
+
+def _prod(xs: Iterable[int]) -> int:
+    p = 1
+    for x in xs:
+        p *= int(x)
+    return p
+
+
+###############################################################################
+# Main Class Definition
+###############################################################################
+
+
+@yaml.register_class
+class QTensor:
+    """
+    Lightweight wrapper around sparse matrices representing quantum states or operators.
+
+    The QTensor class is a wrapper around sparse matrices (or NumPy arrays,
+    which are converted to sparse matrices) that represent quantum states (kets, bras, or density matrices)
+    or operators. It provides utility methods for common quantum operations such as
+    taking the adjoint (dagger), computing tensor products, partial traces, and norms.
+
+    The internal data is stored as a SciPy CSR (Compressed Sparse Row) matrix for
+    efficient arithmetic and manipulation. The expected shapes for the data are:
+    - (2**N, 2**N) for operators or density matrices (or scalars),
+    - (2**N, 1) for ket states,
+    - (1, 2**N) for bra states.
+
+    Converts a NumPy array to a CSR matrix if needed and validates the shape of the input.
+    The input must represent a valid quantum state or operator with appropriate dimensions.
+
+
+    Example:
+        .. code-block:: python
+
+            import numpy as np
+            from qilisdk.common import QTensor
+
+            ket = QTensor(np.array([[1.0], [0.0]]))
+            density = ket * ket.adjoint()
+    """
+
+    def __init__(self, data: np.ndarray | sparray | spmatrix) -> None:
+        """
+        Args:
+            data (np.ndarray | sparray | spmatrix): Dense or sparse matrix defining the quantum object. Expected
+                shapes are ``(2**N, 2**N)`` for operators, ``(2**N, 1)`` for kets, ``(1, 2**N)`` for bras, or ``(1, 1)`` for scalars.
+
+        Raises:
+            ValueError: If ``data`` is not 2-D or does not correspond to valid qubit dimensions.
+        """
+        if isinstance(data, np.ndarray):
+            if data.ndim != 2:  # noqa: PLR2004
+                raise ValueError("Input ndarray must be 2D")
+            self._data = csr_matrix(data)
+        elif issparse(data):
+            self._data = data.tocsr()
+        else:
+            raise ValueError("Input must be a NumPy array or a SciPy sparse matrix")
+
+        r, c = self._data.shape
+
+        # Validate "qubit-like" shapes
+        valid = (
+            (r == c and _is_pow2(r))  # operator/density
+            or (c == 1 and _is_pow2(r))  # ket
+            or (r == 1 and _is_pow2(c))  # bra
+            or (r == c == 1)  # scalar
+        )
+        if not valid:
+            raise ValueError(
+                f"Data must have shape (2**N, 2**N), (2**N, 1), (1, 2**N), or (1,1). Got {self._data.shape}."
+            )
+        # Cache nqubits (immutable once constructed since we never resize in-place)
+        if r == c:
+            self._nqubits = int(np.log2(r))
+        elif r == 1:
+            self._nqubits = int(np.log2(c))
+        else:
+            self._nqubits = int(np.log2(r))
+
+    # ------------- Properties --------------
+
+    @property
+    def data(self) -> csr_matrix:
+        """
+        Get the internal sparse matrix representation of the QTensor.
+
+        Returns:
+            csc_matrix: The internal representation as a CSR matrix.
+        """
+        return self._data
+
+    @property
+    def nqubits(self) -> int:
+        """
+        Compute the number of qubits represented by the QTensor.
+
+        Returns:
+            int: The number of qubits if determinable; otherwise, -1.
+        """
+        return self._nqubits
+
+    @property
+    def shape(self) -> tuple[int, int]:
+        """
+        Get the shape of the QTensor's internal matrix.
+
+        Returns:
+            tuple[int, ...]: The shape of the internal matrix.
+        """
+        return self._data.shape
+
+    @property
+    def dense(self) -> np.ndarray:
+        """
+        Get the dense (NumPy array) representation of the QTensor.
+
+        Returns:
+            np.ndarray: The dense array representation.
+        """
+        return self._data.toarray()
+
+    # ------------- Basic structural tests -------------
+
+    def is_ket(self) -> bool:
+        r, c = self.shape
+        return c == 1 and _is_pow2(r)
+
+    def is_bra(self) -> bool:
+        r, c = self.shape
+        return r == 1 and _is_pow2(c)
+
+    def is_scalar(self) -> bool:
+        return self.shape == (1, 1)
+
+    def is_operator(self) -> bool:
+        r, c = self.shape
+        return r == c and _is_pow2(r)
+
+    # ----------- Matrix Operations ------------
+
+    def adjoint(self) -> QTensor:
+        """
+        Compute the adjoint (conjugate transpose) of the QTensor.
+
+        Returns:
+            QTensor: A new QTensor that is the adjoint of this object.
+        """
+        return QTensor(self._data.getH())
+
+    def trace(self) -> complex:
+        # diagonal() returns dense 1D array; summing it is cheap
+        return complex(self._data.diagonal().sum())
+
+    def ptrace(self, keep: list[int], dims: list[int] | None = None) -> QTensor:
+        """
+        Compute the partial trace over subsystems not in 'keep'.
+
+        This method calculates the reduced density matrix by tracing out
+        the subsystems that are not specified in the 'keep' parameter.
+        The input 'dims' represents the dimensions of each subsystem (optional),
+        and 'keep' indicates the indices of those subsystems to be retained.
+
+        If the QTensor is a ket or bra, it will first be converted to a density matrix.
+
+        Args:
+            keep (list[int]): A list of indices corresponding to the subsystems to retain.
+                The order of the indices in 'keep' is not important, since dimensions will
+                be returned in the tensor original order, but the indices must be unique.
+            dims (list[int], optional): A list specifying the dimensions of each subsystem.
+                If not specified, a density matrix of qubit states is assumed, and the
+                dimensions are inferred accordingly (i.e. we split the state in dim 2 states).
+
+        Raises:
+            ValueError: If the product of the dimensions in dims does not match the
+                shape of the QTensor's dense representation or if any dimension is non-positive.
+            ValueError: If the indices in 'keep' are not unique or are out of range.
+            ValueError: If the QTensor is not a valid density matrix or state vector.
+            ValueError: If the number of subsystems exceeds the available ASCII letters.
+
+        Returns:
+            QTensor: A new QTensor representing the reduced density matrix
+                for the subsystems specified in 'keep'.
+        """
+        if dims is None:
+            dims = [2] * self.nqubits
+        if any(d <= 0 for d in dims):
+            raise ValueError("All subsystem dimensions must be positive")
+
+        dim_total = self.shape[0] if self.is_operator() else (self.shape[0] if self.is_ket() else self.shape[1])
+        if _prod(dims) != dim_total:
+            raise ValueError(
+                f"Product of dims {dims} = {_prod(dims)} does not match Hilbert space dimension {dim_total}."
+            )
+
+        nsub = len(dims)
+        keep_set = set(keep)
+        if len(keep_set) != len(keep):
+            raise ValueError("Duplicate indices in keep")
+        if any(i < 0 or i >= nsub for i in keep_set):
+            raise ValueError("keep indices out of range")
+
+        keep_idx = sorted(keep_set)  # return order is “original” ordering
+        drop_idx = [i for i in range(nsub) if i not in keep_set]
+        dims_keep = [dims[i] for i in keep_idx]
+        dims_drop = [dims[i] for i in drop_idx]
+        Kdim = _prod(dims_keep) if dims_keep else 1
+
+        # Pure-state path ψ ⇒ p_keep = M @ M† (no NxN density matrix created)
+        if self.is_ket() or self.is_bra():
+            psi = self._data
+            if self.is_bra():
+                psi = psi.T.conj()  # make it a column vector
+            # Decide whether to process as dense vector or sparse-vector path
+            N = _prod(dims)
+            density = psi.nnz / N
+            # Dense vector path is faster once the vector is reasonably filled
+            if density >= 0.05 or N <= (1 << 20):  # noqa: PLR2004
+                psi1d = np.asarray(psi.toarray().reshape(-1))  # only vector, not matrix
+                psi_nd = psi1d.reshape(dims)
+                perm = keep_idx + drop_idx  # bring keep first
+                psi_perm = np.transpose(psi_nd, perm)
+                M = psi_perm.reshape(Kdim, -1)
+                rho_keep = M @ M.conj().T
+                return QTensor(csr_matrix(rho_keep))
+            # Truly sparse ψ: build M implicitly by grouping by the traced index
+            coo = psi.tocoo()
+            nz_idx = coo.row
+            nz_val = coo.data
+            # unravel all non-zero positions once
+            digits = np.vstack(np.unravel_index(nz_idx, dims))  # (nsub, nnz)
+            k_digits = digits[keep_idx, :] if keep_idx else np.zeros((0, nz_val.size), dtype=int)
+            t_digits = digits[drop_idx, :] if drop_idx else np.zeros((0, nz_val.size), dtype=int)
+            k_lin = np.ravel_multi_index(k_digits, dims_keep) if keep_idx else np.zeros(nz_val.size, dtype=int)  # type: ignore[call-overload]
+            t_lin = np.ravel_multi_index(t_digits, dims_drop) if drop_idx else np.zeros(nz_val.size, dtype=int)  # type: ignore[call-overload]
+
+            # For each traced index t, accumulate outer products of the K-dimensional slice
+            buckets: dict[int, list[tuple[int, complex]]] = defaultdict(list)
+            for kl, tl, v in zip(k_lin, t_lin, nz_val):
+                buckets[int(tl)].append((int(kl), v))
+
+            data, row, col = [], [], []
+            for _, items in buckets.items():
+                # x is (Kdim,) sparse vector represented by indices & values
+                ks = np.fromiter((i for i, _ in items), dtype=int)
+                vs = np.fromiter((v for _, v in items), dtype=complex)
+                # Outer product of this slice: accumulate into COO lists
+                # Note: number of pairs is len(items)^2 which is fine for very sparse ψ.
+                r = np.repeat(ks, ks.size)
+                c = np.tile(ks, ks.size)
+                d = (vs[:, None] * np.conj(vs[None, :])).ravel()
+                row.append(r)
+                col.append(c)
+                data.append(d)
+
+            if data:
+                row = np.concatenate(row)
+                col = np.concatenate(col)
+                data = np.concatenate(data)
+                out = coo_matrix((data, (row, col)), shape=(Kdim, Kdim))
+                out.sum_duplicates()
+                return QTensor(out.tocsr())
+            return QTensor(csr_matrix((Kdim, Kdim)))
+
+        # Operator/density-matrix path: COO remapping with traced-equal mask
+        if self.is_operator():
+            rho = self._data.tocoo()
+            # unravel rows/cols to multi-indices
+            r_multi = np.vstack(np.unravel_index(rho.row, dims))  # (nsub, nnz)
+            c_multi = np.vstack(np.unravel_index(rho.col, dims))
+            if drop_idx:
+                mask = np.all(r_multi[drop_idx, :] == c_multi[drop_idx, :], axis=0)
+            else:
+                mask = np.ones(rho.nnz, dtype=bool)
+
+            if keep_idx:
+                rK = r_multi[keep_idx, :][:, mask]
+                cK = c_multi[keep_idx, :][:, mask]
+                new_r = np.ravel_multi_index(rK, dims_keep)  # type: ignore[call-overload]
+                new_c = np.ravel_multi_index(cK, dims_keep)  # type: ignore[call-overload]
+                data = rho.data[mask]
+            else:
+                # keep nothing → scalar
+                new_r = np.zeros(mask.sum(), dtype=int)
+                new_c = np.zeros(mask.sum(), dtype=int)
+                data = rho.data[mask]
+
+            out = coo_matrix((data, (new_r, new_c)), shape=(Kdim, Kdim))
+            out.sum_duplicates()
+            return QTensor(out.tocsr())
+
+        raise ValueError("The QTensor is not a valid state or operator for ptrace().")
+
+    def norm(self, order: int | Literal["fro", "tr"] = 1) -> float:
+        """
+        Compute the norm of the QTensor.
+
+        For density matrices, the norm order can be specified. For state vectors, the norm is computed accordingly.
+
+        Args:
+            order (int or {"fro", "tr"}, optional): The order of the norm.
+                Only applies if the QTensor represents a density matrix. Other than all the
+                orders accepted by scipy, it also accepts 'tr' for the trace norm. Defaults to 1.
+
+        Raises:
+            ValueError: If the QTensor is not a valid density matrix or state vector,
+
+        Returns:
+            float: The computed norm of the QTensor.
+        """
+        if self.is_scalar():
+            return float(abs(self._data.toarray()[0, 0]))
+
+        if self.is_operator():
+            if order == "tr":
+                if self.is_density_matrix():
+                    return 1.0
+                # Only correct for Hermitian; otherwise, nuclear norm requires SVD
+                if self.is_hermitian():
+                    r, _ = self.shape
+                    if r <= 1024:  # noqa: PLR2004
+                        w = np.linalg.eigvalsh(self._data.toarray())
+                        return float(np.sum(np.abs(w)))
+                    raise ValueError("Trace norm for large Hermitian operators is not implemented without densifying.")
+                r, _ = self.shape
+                if r <= 1024:  # noqa: PLR2004
+                    s = np.linalg.svd(self._data.toarray(), compute_uv=False)
+                    return float(np.sum(s))
+                raise ValueError(
+                    "Trace (nuclear) norm for large non-Hermitian operators requires SVD; not implemented."
+                )
+            # Delegate other norms to SciPy; supported: 'fro', 1, np.inf, etc.
+            return float(scipy_norm(self._data, ord=order))
+
+        # kets/bras: 2-norm of vector
+        v = self._data
+        if self.is_bra():
+            v = v.T.conj()
+        return float(np.sqrt(np.real(v.conj().multiply(v).sum())))
+
+    def unit(self, order: int | Literal["fro", "tr"] = "tr") -> QTensor:
+        """
+        Normalize the QTensor.
+
+        Scales the QTensor so that its norm becomes 1, according to the specified norm order.
+
+        Args:
+            order (int or {"fro", "tr"}, optional): The order of the norm to use for normalization.
+                Only applies if the QTensor represents a density matrix. Other than all the
+                orders accepted by scipy, it also accepts 'tr' for the trace norm. Defaults to "tr".
+
+        Raises:
+            ValueError: If the norm of the QTensor is 0, making normalization impossible.
+
+        Returns:
+            QTensor: A new QTensor that is the normalized version of this object.
+        """
+        norm = self.norm(order=order)
+        if norm == 0:
+            raise ValueError("Cannot normalize a zero-norm Quantum Object")
+
+        return QTensor(self._data / norm)
+
+    def expm(self) -> QTensor:
+        """
+        Compute the matrix exponential of the QTensor.
+
+        Returns:
+            QTensor: A new QTensor representing the matrix exponential.
+        """
+        return QTensor(expm(self._data.tocsc()))
+
+    def to_density_matrix(self) -> QTensor:
+        """
+        Convert the QTensor to a density matrix.
+
+        If the QTensor represents a state vector (ket or bra), this method
+        calculates the corresponding density matrix by taking the outer product.
+        If the QTensor is already a density matrix, it is returned unchanged.
+        The resulting density matrix is normalized.
+
+        Raises:
+            ValueError: If the QTensor is a scalar, as a density matrix cannot be derived.
+            ValueError: If the QTensor is an operator that is not a density matrix.
+
+        Returns:
+            QTensor: A new QTensor representing the density matrix.
+        """
+        if self.is_scalar():
+            raise ValueError("Cannot make a density matrix from a scalar.")
+        if self.is_density_matrix():
+            return self
+        if self.is_ket():
+            rho = self @ self.adjoint()
+        elif self.is_bra():
+            rho = self.adjoint() @ self
+        elif self.is_operator():
+            raise ValueError("Operator is not a density matrix (trace≠1 or not Hermitian).")
+        else:
+            raise ValueError("Invalid object for density matrix conversion.")
+
+        tr = float(np.real(rho.trace()))
+        if tr == 0.0:
+            raise ValueError("Cannot normalize density matrix with zero trace.")
+        return QTensor(rho.data / tr)  # keep it sparse
+
+    def is_density_matrix(self, tol: float = 1e-8) -> bool:
+        """
+        Determine if the QTensor is a valid density matrix.
+
+        A valid density matrix must be square, Hermitian, positive semi-definite, and have a trace equal to 1.
+
+        Args:
+            tol (float, optional): The numerical tolerance for verifying Hermiticity,
+                eigenvalue non-negativity, and trace. Defaults to 1e-8.
+
+        Returns:
+            bool: True if the QTensor is a valid density matrix, False otherwise.
+        """
+        # Check if rho is a square matrix
+        if not self.is_operator():
+            return False
+        if abs(self.trace() - 1.0) > tol:
+            return False
+        if not self.is_hermitian(tol=tol):
+            return False
+        # PSD check via smallest eigenvalue of Hermitian matrix
+        try:
+            vals = eigsh(self._data, k=1, which="SA", return_eigenvectors=False, tol=1e-6)
+            lam_min = float(np.real(vals[0]))
+        except ArpackNoConvergence:
+            # If ARPACK fails, fall back to dense only if small
+            r, _ = self.shape
+            if r <= 2048:  # noqa: PLR2004
+                lam_min = float(np.linalg.eigvalsh(self._data.toarray()).min())
+            else:
+                # Conservative fallback: don't claim it's a DM if we can't certify PSD
+                return False
+        return lam_min >= -tol
+
+    def is_hermitian(self, tol: float = 1e-8) -> bool:
+        """
+        Check if the QTensor is Hermitian.
+
+        Args:
+            tol (float, optional): The numerical tolerance for verifying Hermiticity.
+                Defaults to 1e-8.
+
+        Returns:
+            bool: True if the QTensor is Hermitian, False otherwise.
+        """
+        if not self.is_operator():
+            return False
+        diff = self._data - self._data.getH()
+        if diff.nnz == 0:
+            return True
+        return float(scipy_norm(diff, ord="fro")) <= tol
+
+    # ----------- Basic Arithmetic Operators ------------
+
+    def __add__(self, other: QTensor | Complex) -> QTensor:
+        if isinstance(other, QTensor):
+            return QTensor(self._data + other._data)
+        if other == 0:
+            return self
+        return NotImplemented
+
+    def __radd__(self, other: QTensor | Complex) -> QTensor:
+        return self.__add__(other)
+
+    def __sub__(self, other: QTensor) -> QTensor:
+        if isinstance(other, QTensor):
+            return QTensor(self._data - other._data)
+        return NotImplemented
+
+    def __mul__(self, other: QTensor | Complex) -> QTensor:
+        if isinstance(other, (int, float, complex)):
+            return QTensor(self._data * other)
+        if isinstance(other, QTensor):
+            return QTensor(self._data * other._data)
+        return NotImplemented
+
+    def __matmul__(self, other: QTensor) -> QTensor:
+        if isinstance(other, QTensor):
+            return QTensor(self._data @ other._data)
+        return NotImplemented
+
+    def __rmul__(self, other: QTensor | Complex) -> QTensor:
+        return self.__mul__(other)
+
+    def __repr__(self) -> str:
+        r, c = self.shape
+        nnz = self._data.nnz
+        s = f"QTensor(shape={r}x{c}, nnz={nnz}, format='csr')"
+        if r * c <= 64:  # noqa: PLR2004
+            s += f"\n{self._data.toarray()}"
+        return s
+
+
+###############################################################################
+# Outside class Function Definitions
+###############################################################################
+
+
+def basis_state(n: int, N: int) -> QTensor:
+    r"""
+    Generate the n'th basis vector representation, on a N-size Hilbert space (N=2**num_qubits).
+
+    This function creates a column vector (ket) representing the Fock state \|n⟩ in a Hilbert space of dimension N.
+
+    Args:
+        n (int): The desired number state (from 0 to N-1).
+        N (int): The dimension of the Hilbert space, has a value 2**num_qubits.
+
+    Raises:
+        ValueError: If n >= N.
+
+    Returns:
+        QTensor: A QTensor representing the \|n⟩'th basis state on a N-size Hilbert space (N=2**num_qubits).
+    """
+    if not (0 <= n < N):
+        raise ValueError(f"n must be in [0, {N - 1}]")
+    # one nonzero at (row=n, col=0), value=1.0
+    mat = csr_matrix(([1.0], ([n], [0])), shape=(N, 1))
+    return QTensor(mat)
+
+
+def ket(*state: int) -> QTensor:
+    r"""
+    Generate a ket state for a multi-qubit system.
+
+    This function creates a tensor product of individual qubit states (kets) based on the input values.
+    Each input must be either 0 or 1. For example, ket(0, 1) creates a two-qubit ket state \|0⟩ ⊗ \|1⟩.
+
+    Args:
+        *state (int): A sequence of integers representing the state of each qubit (0 or 1).
+
+    Raises:
+        ValueError: If any of the provided qubit states is not 0 or 1.
+
+    Returns:
+        QTensor: A QTensor representing the multi-qubit ket state.
+    """
+    if not state:
+        raise ValueError("ket() requires at least one qubit (0/1).")
+    if any(s not in {0, 1} for s in state):
+        raise ValueError(f"state must contain only 0s/1s, got {state}")
+
+    # Number of qubits
+    n = len(state)
+    N = 1 << n  # 2**n
+
+    # Big-endian linear index: kron(|s0>, |s1>, ..., |s_{n-1}>) -> index int(s0...s_{n-1}, base=2)
+    idx = 0
+    for s in state:
+        idx = (idx << 1) | s
+
+    # Reuse existing basis_state creator (sparse, single 1 at (idx, 0))
+    return basis_state(idx, N)
+
+
+def bra(*state: int) -> QTensor:
+    r"""
+    Generate a bra state for a multi-qubit system.
+
+    This function creates a tensor product of individual qubit states (bras) based on the input values.
+    Each input must be either 0 or 1. For example, bra(0, 1) creates a two-qubit bra state ⟨0\| ⊗ ⟨1\|.
+
+    Args:
+        *state (int): A sequence of integers representing the state of each qubit (0 or 1).
+
+    Returns:
+        QTensor: A QTensor representing the multi-qubit bra state.
+    """
+    return ket(*state).adjoint()
+
+
+def tensor_prod(operators: list[QTensor]) -> QTensor:
+    """
+    Calculate the tensor product of a list of QTensors.
+
+    This function computes the tensor (Kronecker) product of all input QTensors,
+    resulting in a composite QTensor that represents the combined state or operator.
+
+    Args:
+        operators (list[QTensor]): A list of QTensors to be combined via tensor product.
+
+    Returns:
+        QTensor: A new QTensor representing the tensor product of the inputs.
+
+    Raises:
+        ValueError: If operators list is empty.
+    """
+    if not operators:
+        raise ValueError("tensor_prod requires at least one operator/state")
+    out = operators[0].data
+    for op in operators[1:]:
+        # Sparse kron returns same sparse type; keep CSR at the end
+        out = kron(out, op.data).tocsr()
+    return QTensor(out)
+
+
+def expect_val(operator: QTensor, state: QTensor) -> Complex:
+    r"""
+    Calculate the expectation value of an operator with respect to a quantum state.
+
+    Computes the expectation value ⟨state\| operator \|state⟩. The function handles both
+    pure state vectors and density matrices appropriately.
+
+    Args:
+        operator (QTensor): The quantum operator represented as a QTensor.
+        state (QTensor): The quantum state or density matrix represented as a QTensor.
+
+    Raises:
+        ValueError: If the operator is not a square matrix.
+        ValueError: If the state provided is not a valid quantum state.
+
+    Returns:
+        Complex: The expectation value. The result is guaranteed to be real if the operator is Hermitian, and may be complex otherwise.
+    """
+    if not operator.is_operator():
+        raise ValueError("operator must be square")
+    # p case: tr(O p) = sum((O.T) ⊙ p)
+    if state.is_density_matrix():
+        return complex((operator.data.T.multiply(state.data)).sum())
+    # |ψ⟩ case: ⟨ψ| O |ψ⟩ = (ψ† (O ψ))
+    if state.is_ket():
+        v = operator.data @ state.data  # (N,1)
+        return complex((state.data.getH() @ v).toarray()[0, 0])
+    if state.is_bra():
+        v = state.data @ operator.data  # (1,N)
+        return complex((v @ state.data.getH()).toarray()[0, 0])
+    raise ValueError("state is invalid for expect_val")

qilisdk/common/result.py

@@ -14,4 +14,5 @@
 from abc import ABC
 
 
-class Result(ABC): ...
+class Result(ABC):
+    """Marker base class for results produced by QiliSDK workflows."""