相关论文: Learning Interpolations between Boltzmann Densitie…

The classical phase-field modeling approaches for multiphase problems represent each phase using a regularized characteristic function, which necessarily introduces a simplex constraint for the phase-field variables. Additionally, the…

A simplified thermodynamic approach of the incompressible axisymmetric Euler equations is considered based on the conservation of helicity, angular momentum and microscopic energy. Statistical equilibrium states are obtained by maximizing…

Probabilistic models can be defined by an energy function, where the probability of each state is proportional to the exponential of the state's negative energy. This paper considers a generalization of energy-based models in which the…

Training on class-imbalanced data usually results in biased models that tend to predict samples into the majority classes, which is a common and notorious problem. From the perspective of energy-based model, we demonstrate that the free…

In this paper, we propose a general methodology for sampling from un-normalized densities defined on Riemannian manifolds, with a particular focus on multi-modal targets that remain challenging for existing sampling methods. Inspired by the…

A common approach for defining a reward function for Multi-objective Reinforcement Learning (MORL) problems is the weighted sum of the multiple objectives. The weights are then treated as design parameters dependent on the expertise (and…

We present a class of diffusion-based algorithms to draw samples from high-dimensional probability distributions given their unnormalized densities. Ideally, our methods can transport samples from a Gaussian distribution to a specified…

We report on the energy transport between two coupled probes in contact with granular thermostats at different temperatures. In our experiment, two identical blades, which are electromechanically coupled, are immersed in two granular gases…

Taking advantage of the advances in generative deep learning, particularly normalizing flow, a framework, called Boltzmann Generator, has recently been proposed for the purpose of generating equilibrium atomic configurations from the…

Density deconvolution is the task of estimating a probability density function given only noise-corrupted samples. We can fit a Gaussian mixture model to the underlying density by maximum likelihood if the noise is normally distributed, but…

In this study, the theoretical maximum efficiency $\eta_{max}$ and the Boltzmann-type factor giving the concentration ratio of excited-to-ground state pigment-molecules for photosynthetic systems under irradiation with arbitrary photon flux…

Normalizing Flows (NF) are Generative models which transform a simple prior distribution into the desired target. They however require the design of an invertible mapping whose Jacobian determinant has to be computable. Recently introduced,…

With an increasing high penetration of solar photovoltaic generation in electric power grids, voltage phasors and branch power flows experience more severe fluctuations. In this context, probabilistic power flow (PPF) study aims at…

We investigate the use of data-driven likelihoods to bypass a key assumption made in many scientific analyses, which is that the true likelihood of the data is Gaussian. In particular, we suggest using the optimization targets of flow-based…

Density functional theory is the standard theory for computing the electronic structure of materials, which is based on a functional that maps the electron density to the energy. However, a rigorous form of the functional is not known and…

We propose Functional Flow Matching (FFM), a function-space generative model that generalizes the recently-introduced Flow Matching model to operate in infinite-dimensional spaces. Our approach works by first defining a path of probability…

The Enskog-like kinetic approach, recently introduced by us to study strongly inhomogeneous flu- ids, is reconsidered in order to improve the description of the transport coefficients. The approach is based on a separation of the…

Normalizing flows are bijective mappings between inputs and latent representations with a fully factorized distribution. They are very attractive due to exact likelihood valuation and efficient sampling. However, their effective capacity is…

We argue that one can model deviations from the ensemble average in non-equilibrium statistical mechanics by promoting the Boltzmann equation to an equation in terms of {\em functionals} , representing possible candidates for phase space…

Normalizing flows are tractable density models that can approximate complicated target distributions, e.g. Boltzmann distributions of physical systems. However, current methods for training flows either suffer from mode-seeking behavior,…