!2280 fix overflow error & error of calc_energy

Merge pull request !2280 from zengqg/r0.9

mindquantum/algorithm/qaia/QAIA.py

@@ -25,7 +25,7 @@ class QAIA:
 
     Args:
         J (Union[numpy.array, csr_matrix]): The coupling matrix with shape :math:`(N x N)`.
-        h (numpy.array): The external field with shape :math:`(N, )`.
+        h (numpy.array): The external field with shape :math:`(N x 1)`.
         x (numpy.array): The initialized spin value with shape :math:`(N x batch_size)`. Default: ``None``.
         n_iter (int): The number of iterations. Default: ``1000``.
         batch_size (int): The number of sampling. Default: ``1``.
@@ -35,6 +35,8 @@ class QAIA:
     def __init__(self, J, h=None, x=None, n_iter=1000, batch_size=1):
         """Construct a QAIA algorithm."""
         self.J = J
+        if h is not None and len(h.shape) < 2:
+            h = h[:, np.newaxis]
         self.h = h
         self.x = x
         # The number of spins
@@ -76,4 +78,17 @@ def calc_energy(self, x=None):
 
         if self.h is None:
             return -0.5 * np.sum(self.J.dot(sign) * sign, axis=0)
-        return -0.5 * np.sum(self.J.dot(sign) * sign, axis=0, keepdims=True) - self.h.dot(sign)
+        return -0.5 * np.sum(self.J.dot(sign) * sign, axis=0, keepdims=True) - self.h.T.dot(sign)
+
+
+class OverflowException(Exception):
+    r"""
+    Custom exception class for handling overflow errors in numerical calculations.
+
+    Args:
+        message: Exception message string, defaults to "Overflow error".
+    """
+
+    def __init__(self, message="Overflow error"):
+        self.message = message
+        super().__init__(self.message)

mindquantum/algorithm/qaia/SB.py

@@ -17,7 +17,7 @@
 import numpy as np
 from scipy.sparse import csr_matrix
 
-from .QAIA import QAIA
+from .QAIA import QAIA, OverflowException
 
 
 class SB(QAIA):
@@ -124,6 +124,9 @@ def update(self):
             else:
                 self.y += self.xi * self.dt * (self.J.dot(self.x) + self.h)
 
+            if np.isnan(self.x).any():
+                raise OverflowException("Value is too large to handle due to large dt or xi.")
+
 
 class BSB(SB):  # noqa: N801
     r"""

mindquantum/algorithm/qaia/SFC.py

@@ -17,7 +17,7 @@
 import numpy as np
 from scipy.sparse import csr_matrix
 
-from .QAIA import QAIA
+from .QAIA import QAIA, OverflowException
 
 
 class SFC(QAIA):
@@ -85,3 +85,6 @@ def update(self):
             f = np.tanh(self.c[i] * z)
             self.x = self.x + (-self.x**3 + (self.p[i] - 1) * self.x - f - self.k * (z - self.e)) * self.dt
             self.e = self.e + (-self.beta[i] * (self.e - z)) * self.dt
+
+            if np.isnan(self.x).any():
+                raise OverflowException("Value is too large to handle due to large dt or xi.")

mindquantum/algorithm/qaia/SimCIM.py

@@ -88,5 +88,5 @@ def update(self):
                 )
             # gradient + momentum
             self.dx = self.dx * self.momentum + newdc * (1 - self.momentum)
-            ind = (np.abs(self.x + self.dx) < 1.0).astype(np.int)
+            ind = (np.abs(self.x + self.dx) < 1.0).astype(np.int64)
             self.x += self.dx * ind