Skip to content

SubspaceHamiltonian sometimes drops terms from extended JW operators #91

Description

@willkirby1

Summary

SubspaceHamiltonian drops a valid weight-4 off-diagonal term produced by FermionicOperator.extended_jw_transformation().

The direct QubitOperator.matrix_element() calculation is correct, but the matrix-free, CSR, and fast CSR SubspaceHamiltonian paths all produce a zero matrix.

Reproduced against current main at commit dafb4091d552d130c42d13dc74a3484e12d70d3f with Fulqrum 0.3.0.

Minimal reproducer

import numpy as np
import fulqrum as fq

fermionic_op = fq.FermionicOperator(
    28,
    [
        ("+-+-", [16, 0, 15, 1], 1.0),
        ("+-+-", [1, 15, 0, 16], 1.0),
    ],
)

op = fermionic_op.extended_jw_transformation()

a = "0000000000000111111111111111"
b = "0000000000011111111111111100"

direct = np.array(
    [
        [op.matrix_element(a, a), op.matrix_element(a, b)],
        [op.matrix_element(b, a), op.matrix_element(b, b)],
    ]
)

Hsub = fq.SubspaceHamiltonian(op, fq.Subspace([[a, b]]))

basis = np.eye(2)
matrix_free = np.column_stack([Hsub @ basis[:, i] for i in range(2)])
csr = Hsub.to_csr_linearoperator().matrix.toarray()
csr_fast = Hsub.to_csr_linearoperator_fast().matrix.toarray()

print("Direct:")
print(direct)
print("Matrix-free:")
print(matrix_free)
print("CSR:")
print(csr)
print("Fast CSR:")
print(csr_fast)

Actual output

Direct:
[[ 0.+0.j -1.+0.j]
 [-1.+0.j  0.+0.j]]

Matrix-free:
[[0. 0.]
 [0. 0.]]

CSR:
[[0. 0.]
 [0. 0.]]

Fast CSR:
[[0. 0.]
 [0. 0.]]

Expected behavior

All three SubspaceHamiltonian representations should agree with the direct matrix-element calculation.

Activity

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Metadata

Metadata

Assignees

Labels

No labels
No labels

Type

No type

Projects

No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions