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Reinforced random walks are random walks on graphs whose transition probabilities along edges from a vertex are proportional to the weights of those edges, but where the weight of an edge evolves in a way that depends on the past traversals…
The variational quantum eigensolver (VQE) is an algorithm for finding the ground states of a given Hamiltonian. Its application to binary-formulated combinatorial optimization (CO) has been widely studied in recent years. However, typical…
We introduce a variational method for the approximation of ground states of strongly interacting spin systems in arbitrary geometries and spatial dimensions. The approach is based on weighted graph states and superpositions thereof. These…
We examine applicability of the valence bond basis correlator product state ansatz, equivalent to the restricted Boltzmann machine quantum artificial neural network ansatz, and variational Monte Carlo method for direct optimization of…
The degree of entanglement of random pure states in bipartite quantum systems can be estimated from the distribution of the extreme Schmidt eigenvalues. For a bipartition of size M\geq N, these are distributed according to a…
In QM/MM indirect free energy simulation, QM/MM corrections can be obtained from integration of partial derivatives of alchemical Hamiltonians or from perturbation-based estimators including free energy perturbation (FEP) and acceptance…
Optimization of quantum states using the variational principle has recently seen an upsurge due to developments of increasingly expressive wave functions. In order to improve on the accuracy of the ans\"atze, it is a time-honored strategy…
We generalize Wheeler-Feynman electrodynamics by the minimization of a finite action functional defined for variational trajectories that are required to merge continuously into given past and future boundary segments. We prove that the…
We extend the celebrated Stone's theorem to the framework of distributional regression. More precisely, we prove that weighted empirical distribution with local probability weights satisfying the conditions of Stone's theorem provide…
The inherent structures ({\it IS}) are the local minima of the potential energy surface or landscape, $U({\bf r})$, of an {\it N} atom system. Stillinger has given an exact {\it IS} formulation of thermodynamics. Here the implications for…
We introduce a random matrix framework for studying statistical-mechanical lattice systems through spectral observables. Equilibrium configurations sampled from a Boltzmann measure are mapped to matrix ensembles whose covariance structure…
We use ab initio electronic-structure methods to investigate random-matrix theory (RMT) universality in molecular electronic structure. Using single-reference electronic structure methods, including Hartree-Fock, configuration-interaction…
We introduce a class of variational states to study ground state properties and real-time dynamics in (2+1)-dimensional compact QED. These are based on complex Gaussian states which are made periodic in order to account for the compact…
Variational principles are proved for self-adjoint operator functions arising from variational evolution equations of the form \[ \langle\ddot{z}(t),y \rangle + \mathfrak{d}[\dot{z} (t), y] + \mathfrak{a}_0 [z(t),y] = 0. \] Here…
We improve and generalize in several accounts the recent rigorous proof of convergence of delta expansion - order dependent mappings (variational perturbation expansion) for the energy eigenvalues of anharmonic oscillator. For the…
Connections between weak gravity conjecture (WGC) bounds and scattering positivity have been extensively studied over the past decade. This work further explores these connections by proposing positivity as a potential amplitude criterion…
Estimates of uncertainty or variance in experimental means are central to physics. This is especially the case for `world averages' of fundamental physical parameters in particle physics, which aggregate results from a number of experiments…
The performance of many-body perturbation theory for calculating ground-state properties is investigated. We present fully numerical results for the electron gas in three and two dimensions in the framework of the GW approximation. The…
Consider $N\times N$ symmetric one-dimensional random band matrices with general distribution of the entries and band width $W \geq N^{3/4+\varepsilon}$ for any $\varepsilon>0$. In the bulk of the spectrum and in the large $N$ limit, we…
A detailed account of the implementation of equations of the Relativistic Density Functional Theory (RDFT) using basis sets of APW/LAPW type with flexible extensions provided by local orbitals is given. Earlier discoveries of the importance…