Related papers: Mitigating the Hubbard Sign Problem with Complex-V…
Quantum Monte Carlo methods are powerful tools for studying quantum many-body systems but face difficulties in accessing excited states and in treating sign problems. We present a continuous-time path-integral Monte Carlo method for…
When properly tuned, Hamiltonian Monte Carlo scales to some of the most challenging high-dimensional problems at the frontiers of applied statistics, but when that tuning is suboptimal the performance leaves much to be desired. In this…
Markov chain Monte Carlo (MCMC) methods have not been broadly adopted in Bayesian neural networks (BNNs). This paper initially reviews the main challenges in sampling from the parameter posterior of a neural network via MCMC. Such…
We investigate how the computational difficulty of contracting tensor networks depends on the sign structure of the tensor entries. Using results from computational complexity, we observe that the approximate contraction of tensor networks…
Here we develop a new scheme of projective quantum Monte-Carlo (QMC) simulation combining unbiased zero-temperature (projective) determinant QMC and variational Monte-Carlo based on Gutzwiller projection wave function, dubbed as…
The Sign Learning Kink (SiLK) based Quantum Monte Carlo (QMC) method is used to calculate the ab initio ground state energies for multiple geometries of the H$_{2}$O, N$_2$, and F$_2$ molecules. The method is based on Feynman's path…
When a Monte Carlo algorithm is used to evaluate a physical observable A, it is possible to slightly modify the algorithm so that it evaluates simultaneously A and the derivatives $\partial$ $\varsigma$ A of A with respect to each…
We develop a strong-coupling perturbation scheme for a generic Hubbard model around a half-filled particle-hole-symmetric reference system, which is free from the fermionic sign problem. The approach is based on the lattice determinantal…
In this paper, we discover a new quantum Monte Carlo (QMC) method to solve the fermion sign problem in interacting fermion models by employing Majorana representation of complex fermions. We call it "Majorana QMC" (MQMC). Especially, MQMC…
The quantum Monte Carlo method on asymptotic Lefschetz thimbles is a numerical algorithm devised specifically for alleviation of the sign problem appearing in the simulations of quantum many-body systems. In this method, the sign problem is…
Neural networks has recently attracted much interest as useful representations of quantum many body ground states, which might help address the infamous sign problem. Most attention was directed at their representability properties, while…
We introduce a semistochastic implementation of the power method to compute, for very large matrices, the dominant eigenvalue and expectation values involving the corresponding eigenvector. The method is semistochastic in that the matrix…
In this work we solve the sign problem of a frustrated quantum impurity model consisting of three quantum spin-half chains interacting through an anti-ferromagnetic Heisenberg interaction at one end. We first map the model into a repulsive…
We present a Monte Carlo algorithm that allows the simultaneous determination of a few extremal eigenpairs of a very large matrix without the need to compute the inner product of two vectors or store all the components of any one vector.…
We propose a general framework for finding the ground state of many-body fermionic systems by using feed-forward neural networks. The anticommutation relation for fermions is usually implemented to a variational wave function by the Slater…
We develop several deep learning algorithms for approximating families of parametric PDE solutions. The proposed algorithms approximate solutions together with their gradients, which in the context of mathematical finance means that the…
We propose a framework based on the concept of the semigroup to understand the fermion sign problem. By using properties of contraction semigroups, we obtain sufficient conditions for quantum lattice fermion models to be sign-problem-free.…
This article gives an introduction to the multilevel blocking (MLB) approach to both the fermion and the dynamical sign problem in path-integral Monte Carlo simulations. MLB is able to substantially relieve the sign problem in many…
Deep convolutional neural networks have shown high efficiency in computer visions and other applications. However, with the increase in the depth of the networks, the computational complexity is growing exponentially. In this paper, we…
In this paper we study probabilistic and neural network approximations for solutions to Poisson equation subject to Holder data in general bounded domains of $\mathbb{R}^d$. We aim at two fundamental goals. The first, and the most…