Publications
Fast-forwardability of Jordan-Wigner-transformed Fermion models based on Cartan decomposition
We study the Hamiltonian algebra of Jordan-Wigner-transformed interacting fermion models and its fast-forwardability. We prove that the dimension of the Hamiltonian algebra of the fermion model with single-site Coulomb interaction is bounded from below by the exponential function of the number of sites, and the circuit depth of the Cartan-based fast-forwarding method for such model also exhibits the same scaling. We apply this proposition to the Anderson impurity model and the Hubbard model and show that the dimension of the Hamiltonian algebra of these models scales exponentially with the number of sites. These behaviors of the Hamiltonian algebras imply that the qubit models obtained by the Jordan-Wigner transformation of these fermion models cannot be efficiently simulated using the Cartan-based fast-forwarding method.
Benchmark of the Full and Reduced Effective Resistance Kernel for Molecular Classification
We present a comprehensive study of the commute time kernel method via the effective resistance framework analyzing the quantum complexity of the originally classical approach. Our study reveals that while there is a trade-off between accuracy and computational complexity, significant improvements can be achieved in terms of runtime efficiency without substantially compromising on precision. Our investigation highlights a notable quantum speedup in calculating the kernel, which offers a quadratic improvement in time complexity over classical approaches in certain instances. In addition, we introduce methodical improvements over the original work on the commute time kernel and provide empirical evidence suggesting the potential reduction of kernel queries without significant impact on result accuracy. Benchmarking our method on several chemistry-based datasets: AIDS, NCL1, PTC−MR, MUTAG, PROTEINS - data points previously unexplored in existing literature, shows that while not always the most accurate, it excels in time efficiency. This makes it a compelling alternative for applications where computational speed is crucial. Our results highlight the balance between accuracy, computational complexity, and speedup offered by quantum computing, promoting further research into efficient algorithms for kernel methods and their applications in chemistry-based datasets.
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