Related papers: A Fast and Efficient Algorithm for Slater Determin…
Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…
Quantum amplitude estimation is a key sub-routine of a number of quantum algorithms with various applications. We propose an adaptive algorithm for interval estimation of amplitudes. The quantum part of the algorithm is based only on…
Simulating long-range interacting systems is a challenging task due to its computational complexity that the computational effort for each local update is of order $\cal{O}$$(N)$, where $N$ is the size of system. Recently, a technique,…
The famous least squares Monte Carlo (LSM) algorithm combines linear least square regression with Monte Carlo simulation to approximately solve problems in stochastic optimal stopping theory. In this work, we propose a quantum LSM based on…
In a world burdened by air pollution, the integration of state-of-the-art sensor calibration techniques utilizing Quantum Computing (QC) and Machine Learning (ML) holds promise for enhancing the accuracy and efficiency of air quality…
This paper proposes an efficient method for the simultaneous estimation of the state of a quantum system and the classical parameters that govern its evolution. This hybrid approach benefits from efficient numerical methods for the…
In this article, we study the efficient dynamical computation of all-pairs SimRanks on time-varying graphs. Li {\em et al}.'s approach requires $O(r^4 n^2)$ time and $O(r^2 n^2)$ memory in a graph with $n$ nodes, where $r$ is the target…
Sequential Monte Carlo algorithms, or particle filters, are widely used for approximating intractable integrals, particularly those arising in Bayesian inference and state-space models. We introduce a new variance reduction technique, the…
We present fast algorithms for the summation of Dyson series and the inchworm Monte Carlo method for quantum systems that are coupled with harmonic baths. The algorithms are based on evolving the integro-differential equations where the…
Quantum algorithms require accurate representations of electronic states on a quantum device, yet the approximation of electronic wave functions for strongly correlated systems remains a profound theoretical challenge, with existing methods…
SMC$^2$ is an efficient algorithm for sequential estimation and state inference of state-space models. It generates $N_{\theta}$ parameter particles $\theta^{m}$, and, for each $\theta^{m}$, it runs a particle filter of size $N_{x}$ (i.e.…
We describe a quantum algorithm for finding the smallest eigenvalue of a Hermitian matrix. This algorithm combines Quantum Phase Estimation and Quantum Amplitude Estimation to achieve a quadratic speedup with respect to the best classical…
The kinetic Monte Carlo (kMC) method is used in many scientific fields in applications involving rare-event transitions. Due to its discrete stochastic nature, efforts to parallelize kMC approaches often produce unbalanced time evolutions…
We introduce a multiscale Monte Carlo algorithm to simulate dense simple fluids. The probability of an update follows a power law distribution in its length scale. The collective motion of clusters of particles requires generalization of…
Kernel logistic regression (KLR) is a conventional nonlinear classifier in machine learning. With the explosive growth of data size, the storage and computation of large dense kernel matrices is a major challenge in scaling KLR. Even the…
Software under test can be analyzed dynamically, while it is being executed, to find defects. However, as the number and possible values of input parameters increase, the cost of dynamic testing rises. This paper examines whether quantum…
Inference and simulation in the context of high-dimensional dynamical systems remain computationally challenging problems. Some form of dimensionality reduction is required to make the problem tractable in general. In this paper, we propose…
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…
Wave-function Monte Carlo methods are an important tool for simulating quantum systems, but the standard method cannot be used to simulate decoherence in continuously measured systems. Here we present a new Monte Carlo method for such…
High-quality excitation generators are crucial to the effectiveness of Coupled cluster Monte Carlo (CCMC) and full configuration interaction Quantum Monte Carlo (FCIQMC) calculations. The heat bath sampling of Holmes et al. [A. A. Holmes,…