Adiabatic evolution on a spatial-photonic Ising machine

Combinatorial optimization problems are crucial for widespread applications but remain difficult to solve on a large scale with conventional hardware. Novel optical platforms, known as coherent or photonic Ising machines, are attracting considerable attention as accelerators on optimization tasks formulable as Ising models. Annealing is a well-known technique based on adiabatic evolution for finding optimal solutions in classical and quantum systems made by atoms, electrons, or photons. Although various Ising machines employ annealing in some form, adiabatic computing on optical settings has been only partially investigated. Here, we realize the adiabatic evolution of frustrated Ising models with 100 spins programmed by spatial light modulation. We use holographic and optical control to change the spin couplings adiabatically, and exploit experimental noise to explore the energy landscape. Annealing enhances the convergence to the Ising ground state and allows to find the problem solution with probability close to unity. Our results demonstrate a photonic scheme for combinatorial optimization in analogy with adiabatic quantum algorithms and enforced by optical vector-matrix multiplications and scalable photonic technology.Comment: 9 pages, 4 figure

A Quantum Monte Carlo Approach to the Adiabatic Connection Method

We present a new method for realizing the adiabatic connection approach in density functional theory, which is based on combining accurate variational quantum Monte Carlo calculations with a constrained optimization of the ground state many-body wavefunction for different values of the Coulomb coupling constant. We use the method to study an electron gas in the presence of a cosine-wave potential. For this system we present results for the exchange-correlation hole and exchange-correlation energy density, and compare our findings with those from the local density approximation and generalized gradient approximation.Comment: to be published in Advances in Quantum Chemistr

Excited states with selected CI-QMC: chemically accurate excitation energies and geometries

We employ quantum Monte Carlo to obtain chemically accurate vertical and adiabatic excitation energies, and equilibrium excited-state structures for the small, yet challenging, formaldehyde and thioformaldehyde molecules. A key ingredient is a robust protocol to obtain balanced ground- and excited-state Jastrow-Slater wave functions at a given geometry, and to maintain such a balanced description as we relax the structure in the excited state. We use determinantal components generated via a selected configuration interaction scheme which targets the same second-order perturbation energy correction for all states of interest at different geometries, and we fully optimize all variational parameters in the resultant Jastrow-Slater wave functions. Importantly, the excitation energies as well as the structural parameters in the ground and excited states are converged with very compact wave functions comprising few thousand determinants in a minimally augmented double-$\zeta$ basis set. These results are obtained already at the variational Monte Carlo level, the more accurate diffusion Monte Carlo method yielding only a small improvement in the adiabatic excitation energies. We find that matching Jastrow-Slater wave functions with similar variances can yield excitations compatible with our best estimates; however, the variance-matching procedure requires somewhat larger determinantal expansions to achieve the same accuracy, and it is less straightforward to adapt during structural optimization in the excited state.Comment: 11 pages, 4 figure