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This paper studies the fundamental learning problem of the energy-based model (EBM). Learning the EBM can be achieved using the maximum likelihood estimation (MLE), which typically involves the Markov Chain Monte Carlo (MCMC) sampling, such…
We explore the effectiveness of variational quantum circuits in simulating the ground states of quantum many-body Hamiltonians. We show that generic high-depth circuits, performing a sequence of layer unitaries of the same form, can…
Kullback Leibler (KL) control problems allow for efficient computation of optimal control by solving a principal eigenvector problem. However, direct applicability of such framework to continuous state-action systems is limited. In this…
A kernel-based method (kernelized minimal distributed charge model - kMDCM) to represent the molecular electrostatic potential (ESP) in terms of off-center point charges whose positions adapts to the molecular geometry. Using Gaussian…
Electrocardiogram (ECG) monitoring is one of the most powerful technique of cardiovascular disease (CVD) early identification, and the introduction of intelligent wearable ECG devices has enabled daily monitoring. However, due to the need…
We propose a family of high-order local discontinuous Galerkin (LDG) methods, built on a parametric representation and coupled with a semi-implicit backward Euler time discretization, for isotropic and anisotropic curve-shortening flows.…
This paper presents a p-adaptive high-order hybridizable discontinuous Galerkin spectral element method (HDG-SEM) for solving the Poisson equation in electrostatic plasma simulations using particle-in-cell (PIC) schemes. This approach…
Nuclear fission at barrier-top energies is conventionally modeled by a one-dimensional Schr\"odinger equation applied to internal fission channels, but that treatment is hard to justify in the configuration-interaction approach to nuclear…
The widespread popularity of replica exchange and expanded ensemble algorithms for simulating complex molecular systems in chemistry and biophysics has generated much interest in enhancing phase space mixing of these protocols, thus…
Markov chain Monte Carlo (MCMC) allows one to generate dependent replicates from a posterior distribution for effectively any Bayesian hierarchical model. However, MCMC can produce a significant computational burden. This motivates us to…
The composite load model (CLM) proposed by the Western Electricity Coordinating Council (WECC) is gaining increasing traction in industry, particularly in North America. At the same time, it has been recognized that further improvements in…
We present two accelerated numerical algorithms for single-component and binary Gross-Pitaevskii (GP) equations coupled with microwaves (electromagnetic fields) in steady state. One is based on a normalized gradient flow formulation, called…
Recently, a so-called E-MS algorithm was developed for model selection in the presence of missing data. Specifically, it performs the Expectation step (E step) and Model Selection step (MS step) alternately to find the minimum point of the…
Long-range interacting spin systems are ubiquitous in physics and exhibit a variety of ground state disorder-to-order phase transitions. We consider a prototype of infinite-range interacting models known as the Lipkin-Meshkov-Glick (LMG)…
This paper discusses an extension technology for the previously proposed Flexible Line-Commutated Converter (Flex LCC) [1]. The proposed extension involves modifying the arm internal-electromotive-force control, redesigning the main-circuit…
We study the classical simulatability of Gottesman-Kitaev-Preskill (GKP) states in combination with arbitrary displacements, a large set of symplectic operations and homodyne measurements. For these types of circuits, neither…
Electrocardiogram (ECG) signals, profiling the electrical activities of the heart, are used for a plethora of diagnostic applications. However, ECG systems require multiple leads or channels of signals to capture the complete view of the…
Hamiltonian Monte Carlo (HMC) has become routinely used for sampling from posterior distributions. Its extension Riemann manifold HMC (RMHMC) modifies the proposal kernel through distortion of local distances by a Riemannian metric. The…
We present in detail the recently developed multi-configurational symmetrized projector quantum Monte Carlo (MSPQMC) method for excited states of the Hubbard model. We describe the implementation of the Monte Carlo method for a…
Generative quantum eigensolver (GQE) is a hybrid quantum-classical algorithm that iteratively trains a classical generative machine learning model such that the model can generate quantum circuits with desired properties such as…