相关论文: Scalable Normalizing Flows Enable Boltzmann Genera…

Although many deep-learning-based super-resolution approaches have been proposed in recent years, because no ground truth is available in the inference stage, few can quantify the errors and uncertainties of the super-resolved results. For…

Schrodinger Bridges (SBs) are diffusion processes that steer, in finite time, a given initial distribution to another final one while minimizing a suitable cost functional. Although various methods for computing SBs have recently been…

The recent introduction of machine learning techniques, especially normalizing flows, for the sampling of lattice gauge theories has shed some hope on improving the sampling efficiency of the traditional HMC algorithm. Naive use of…

We study the consequences of mode-collapse of normalizing flows in the context of lattice field theory. Normalizing flows allow for independent sampling. For this reason, it is hoped that they can avoid the tunneling problem of local-update…

This work thoroughly investigates a semi-Lagrangian lattice Boltzmann (SLLBM) solver for compressible flows. In contrast to other LBM for compressible flows, the vertices are organized in cells, and interpolation polynomials up to fourth…

We introduce a method for reconstructing an infinitesimal normalizing flow given only an infinitesimal change to a (possibly unnormalized) probability distribution. This reverses the conventional task of normalizing flows -- rather than…

Molecules are frequently represented as graphs, but the underlying 3D molecular geometry (the locations of the atoms) ultimately determines most molecular properties. However, most molecules are not static and at room temperature adopt a…

Explicit density learners are becoming an increasingly popular technique for generative models because of their ability to better model probability distributions. They have advantages over Generative Adversarial Networks due to their…

Normalizing flows have been successfully modeling a complex probability distribution as an invertible transformation of a simple base distribution. However, there are often applications that require more than invertibility. For instance,…

We introduce DrugFlow, a generative model for structure-based drug design that integrates continuous flow matching with discrete Markov bridges, demonstrating state-of-the-art performance in learning chemical, geometric, and physical…

Whenever invertible generative networks are needed for LHC physics, normalizing flows show excellent performance. In this work, we investigate their performance for fast calorimeter shower simulations with increasing phase space dimension.…

We introduce a model of hadronization based on invertible neural networks that faithfully reproduces a simplified version of the Lund string model for meson hadronization. Additionally, we introduce a new training method for normalizing…

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…

The numerical simulation of multiphase flows involving dispersed components with large scale disparities, such as the collisions between millimeter-sized bubbles and micron-sized mineral particles in flotation, poses a significant…

Normalizing flows have emerged as an important family of deep neural networks for modelling complex probability distributions. In this note, we revisit their coupling and autoregressive transformation layers as probabilistic graphical…

Neural-network quantum states have shown great potential for the study of many-body quantum systems. In statistical machine learning, transfer learning designates protocols reusing features of a machine learning model trained for a problem…

Flow matching has recently emerged as a promising alternative to diffusion-based generative models, particularly for text-to-image generation. Despite its flexibility in allowing arbitrary source distributions, most existing approaches rely…

Molecular conformer generation is a fundamental task in computational chemistry. Several machine learning approaches have been developed, but none have outperformed state-of-the-art cheminformatics methods. We propose torsional diffusion, a…

Significant improvements in the computational performance of the lattice-Boltzmann (LB) model, coded in FORTRAN90, were achieved through application of enhancement techniques. Applied techniques include optimization of array memory layouts,…

To overcome topological constraints and improve the expressiveness of normalizing flow architectures, Wu, K\"ohler and No\'e introduced stochastic normalizing flows which combine deterministic, learnable flow transformations with stochastic…