Related papers: Approximate Graph Spectral Decomposition with the …
Variational Quantum Eigensolvers (VQEs) represent a promising approach to computing molecular ground states and energies on modern quantum computers. These approaches use a classical computer to optimize the parameters of a trial wave…
We perform a systematic investigation of variational forms (wave function Ans\"atze), to determine the ground state energies and properties of two-dimensional model fermionic systems on triangular lattices (with and without periodic…
We investigate a quadratic unconstrained binary optimization (QUBO) formulation of the graph isomorphism problem using the Quantum Approximate Optimization Algorithm (QAOA) and the Variational Quantum Eigensolver (VQE). For small graph…
Given a graph $G = (V, E)$ and an integer $k$, we study $k$-Vertex Seperator (resp. $k$-Edge Separator), where the goal is to remove the minimum number of vertices (resp. edges) such that each connected component in the resulting graph has…
In graph signal processing, the graph adjacency matrix or the graph Laplacian commonly define the shift operator. The spectral decomposition of the shift operator plays an important role in that the eigenvalues represent frequencies and the…
Dynamical Mean Field Theory (DMFT) is one of the powerful computational approaches to study electron correlation effects in solid-state materials and molecules. Its practical applicability is, however, limited by the quantity of numerical…
The emerging field of quantum simulation of many-body systems is widely recognized as a very important application of quantum computing. A crucial step towards its realization in the context of many-electron systems requires a rigorous…
Quantum computing presents a promising path toward precise quantum chemical simulations, particularly for systems that challenge classical methods. This work investigates the performance of the Variational Quantum Eigensolver (VQE) in…
Spectral analysis connects graph structure to the eigenvalues and eigenvectors of associated matrices. Much of spectral graph theory descends directly from spectral geometry, the study of differentiable manifolds through the spectra of…
A locally irregular graph is a graph whose adjacent vertices have distinct degrees, a regular graph is a graph where each vertex has the same degree and a locally regular graph is a graph where for every two adjacent vertices u, v, their…
The de novo generation of molecules with desirable properties is a critical challenge, where diffusion models are computationally intensive and autoregressive models struggle with error propagation. In this work, we introduce the Graph…
We propose a novel variational method for solving the sub-graph isomorphism problem on a gate-based quantum computer. The method relies (1) on a new representation of the adjacency matrices of the underlying graphs, which requires a number…
The Variational Quantum Eigensolver (VQE) is a quantum algorithm used to find the ground state energy of a given Hamiltonian. The key component of VQE is the ansatz, which is a trial wavefunction that the algorithm uses to approximate the…
We review the properties of eigenvectors for the graph Laplacian matrix, aiming at predicting a specific eigenvalue/vector from the geometry of the graph. After considering classical graphs for which the spectrum is known, we focus on…
We present a hybrid classical-quantum algorithm to solve optimization problems in current quantum computers, whose basic idea is to assist variational quantum eigensolvers (VQE) with adiabatic change of the Hamiltonian. The rational for…
We provide an introductory review of some topics in spectral theory of Laplacians on metric graphs. We focus on three different aspects: the trace formula, the self-adjointness problem and connections between Laplacians on metric graphs and…
Graph inference plays an essential role in machine learning, pattern recognition, and classification. Signal processing based approaches in literature generally assume some variational property of the observed data on the graph. We make a…
Near-term quantum computers will be limited in the number of qubits on which they can process information as well as the depth of the circuits that they can coherently carry out. To-date, experimental demonstrations of algorithms such as…
The realization of quantum advantage with noisy-intermediate-scale quantum (NISQ) machines has become one of the major challenges in computational sciences. Maintaining coherence of a physical system with more than ten qubits is a critical…
We propose a new approach to improve the accuracy of ground state estimates in Variational Quantum Eigensolver (VQE) algorithms by employing subspace representations with soft-coded orthogonality constraints. As in other subspace-based VQE…