相关论文: Conjugate gradient heatbath for ill-conditioned ac…

This paper proposes a new strategy to implement the free-energy based wetting boundary condition within the phase-field lattice Boltzmann method. The greatest advantage of the proposed method is that the implementation of contact line…

A general lattice Boltzmann method for simulation of fluids with tailored transport coefficients is presented. It is based on the recently introduced quasi-equilibrium kinetic models, and a general lattice Boltzmann implementation is…

We propose digitized counterdiabatic quantum sampling (DCQS), a hybrid quantum-classical algorithm for efficient sampling from energy-based models, such as low-temperature Boltzmann distributions. The method utilizes counterdiabatic…

I development a Conjugate Gradient Method for solving a partial differential system with multiply controls. Some numerical results are depicted. Also, I present an explication of why the control over a partial differential equations system…

Combining analytical and numerical methods, we study within the framework of the homogeneous non-linear Boltzmann equation, a broad class of models relevant for the dynamics of dissipative fluids, including granular gases. We use the new…

We propose a variant of the classical conditional gradient method for sparse inverse problems with differentiable measurement models. Such models arise in many practical problems including superresolution, time-series modeling, and matrix…

The Bayesian conjugate gradient method offers probabilistic solutions to linear systems but suffers from poor calibration, limiting its utility in uncertainty quantification tasks. Recent approaches leveraging postiterations to construct…

The linear conjugate gradient method is an efficient iterative method for the convex quadratic minimization problems $ \mathop {\min }\limits_{x \in { \mathbb R^n}} f(x) =\dfrac{1}{2}x^TAx+b^Tx $, where $ A \in R^{n \times n} $ is symmetric…

Off-lattice agent-based models (or cell-based models) of multicellular systems are increasingly used to create in-silico models of in-vitro and in-vivo experimental setups of cells and tissues, such as cancer spheroids, neural crest cell…

In a recent paper, de Forcrand has pointed out that matrix inversions using Gaussian noise need not be iterated to full convergence, but instead may be solved approximately and treated as a heatbath. Gaussian noise however is not optimal…

We introduce an algorithm for sampling many-body quantum states in Fock space. The algorithm efficiently samples states with probability approximately proportional to an arbitrary function of the second-quantized Hamiltonian matrix element…

We present a novel lattice Boltzmann method that has a capability of simulating thermodynamic multiphase flows. This approach is fully thermodynamically consistent at the macroscopic level. Using this new method, a liquid-vapor boiling…

Using normalizing flows and reweighting, Boltzmann Generators enable equilibrium sampling from a Boltzmann distribution, defined by an energy function and thermodynamic state. In this work, we introduce Thermodynamic Interpolation (TI),…

Many processes of scientific and technological interest are characterized by time scales that render their simulation impossible if one uses present day simulation capabilities. To overcome this challenge a variety of enhanced simulation…

An algorithm is proposed to implement unsteady jump boundary conditions, presenting discontinuity in physical quantities, within the lattice Boltzmann method (LBM). This is useful to tackle problems involving mass or heat transfer through…

Boltzmann sampling is a central component of many computational frameworks, including numerous algorithms in machine learning. Although quantum annealers have been investigated as potential fast Boltzmann samplers, their dependence on…

We develop a relativistic lattice Boltzmann (LB) model, providing a more accurate description of dissipative phenomena in relativistic hydrodynamics than previously available with existing LB schemes. The procedure applies to the…

This paper presents the Hager-Zhang (HZ)-type Riemannian conjugate gradient method that uses the exponential retraction. We also present global convergence analyses of our proposed method under two kinds of assumptions. Moreover, we…

In this work, an extension to the standard iterative Boltzmann inversion (IBI) method to derive coarse-grained potentials is proposed. It is shown that the inclusion of target data from multiple states yields a less state-dependent…

Ab initio thermodynamics is a widespread, computationally efficient approach to predict the stable configuration of a surface in contact with a surrounding (gas or liquid) environment. In a prevalent realization of this approach, this…