相关论文: Flow Perturbation++: Multi-Step Unbiased Jacobian …

Flow-based generative models have been employed for sampling the Boltzmann distribution, but their application to high-dimensional systems is hindered by the significant computational cost of obtaining the Jacobian of the flow. To overcome…

Sampling equilibrium distributions is fundamental to statistical mechanics. While flow matching has emerged as scalable state-of-the-art paradigm for generative modeling, its potential for equilibrium sampling in condensed-phase systems…

Flow and diffusion-based models have emerged as powerful tools for scientific applications, particularly for sampling non-normalized probability distributions, as exemplified by Boltzmann Generators (BGs). A critical challenge in deploying…

Modeling real-world distributions can often be challenging due to sample data that are subjected to perturbations, e.g., instrumentation errors, or added random noise. Since flow models are typically nonlinear algorithms, they amplify these…

Scalable sampling of molecular states in thermodynamic equilibrium is a long-standing challenge in statistical physics. Boltzmann Generators tackle this problem by pairing a generative model, capable of exact likelihood computation, with…

A normalizing flow is an invertible mapping between an arbitrary probability distribution and a standard normal distribution; it can be used for density estimation and statistical inference. Computing the flow follows the change of…

A Kalman filter based sequential estimator is presented in the present work. The estimator is integrated in the structure of segregated solvers for the analysis of incompressible flows. This technique provides an augmented flow state…

Sampling from unnormalized target distributions is a fundamental yet challenging task in machine learning and statistics. Existing sampling algorithms typically require many iterative steps to produce high-quality samples, leading to high…

In this paper, a fractional step lattice Boltzmann method is proposed to model two-phase flows with large density differences by solving Cahn-Hilliard phase-field equation and the incompressible Navier-Stokes equations.In order to maintain…

This work presents DCFlow, a novel unsupervised cross-modal flow estimation framework that integrates a decoupled optimization strategy and a cross-modal consistency constraint. Unlike previous approaches that implicitly learn flow…

Efficient gradient computation of the Jacobian determinant term is a core problem in many machine learning settings, and especially so in the normalizing flow framework. Most proposed flow models therefore either restrict to a function…

Boltzmann Generators have emerged as a promising machine learning tool for generating samples from equilibrium distributions of molecular systems using Normalizing Flows and importance weighting. Recently, Flow Matching has helped speed up…

Normalizing flows have recently demonstrated the ability to learn the Boltzmann distribution of the Hubbard model, opening new avenues for generative modeling in condensed matter physics. In this work, we investigate the steps required to…

By chaining a sequence of differentiable invertible transformations, normalizing flows (NF) provide an expressive method of posterior approximation, exact density evaluation, and sampling. The trend in normalizing flow literature has been…

A simple and efficient one-dimensional discrete Boltzmann method is developed for compressible flows with tunable specific heat ratios by incorporating extra degrees of freedom. To guarantee Galilean invariance in numerical simulations, a…

Unsupervised anomaly detection is often framed around two widely studied paradigms. Deep one-class classification, exemplified by Deep SVDD, learns compact latent representations of normality, while density estimators realized by…

Normalizing flows model a complex target distribution in terms of a bijective transform operating on a simple base distribution. As such, they enable tractable computation of a number of important statistical quantities, particularly…

Optical flow estimation remains challenging due to untextured areas, motion boundaries, occlusions, and more. Thus, the estimated flow is not equally reliable across the image. To that end, post-hoc confidence measures have been introduced…

We extend our recently introduced stochastic nonlocal traffic flow model to more general random perturbations, including Markovian noise derived from a discretized Jacobi-type stochastic differential equation. Invoking a deterministic…

As lattice gauge theories with non-trivial topological features are driven towards the continuum limit, standard Markov Chain Monte Carlo simulations suffer for topological freezing, i.e., a dramatic growth of autocorrelations in…