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The future motion of traffic participants is inherently uncertain. To plan safely, therefore, an autonomous agent must take into account multiple possible trajectory outcomes and prioritize them. Recently, this problem has been addressed…

Computer Vision and Pattern Recognition · Computer Science 2021-08-02 Christoph Schöller , Alois Knoll

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…

Machine Learning · Computer Science 2020-10-20 Robert Giaquinto , Arindam Banerjee

Generative models are a promising tool to address the sampling problem in multi-body and condensed-matter systems in the framework of statistical mechanics. In this work, we show that normalizing flows can be used to learn a transformation…

Computational Physics · Physics 2022-08-23 Alessandro Coretti , Sebastian Falkner , Phillip Geissler , Christoph Dellago

Normalizing flow (NF) has gained popularity over traditional maximum likelihood based methods due to its strong capability to model complex data distributions. However, the standard approach, which maps the observed data to a normal…

Machine Learning · Computer Science 2022-11-22 Hanze Dong , Shizhe Diao , Weizhong Zhang , Tong Zhang

Sampling conditional distributions is a fundamental task for Bayesian inference and density estimation. Generative models, such as normalizing flows and generative adversarial networks, characterize conditional distributions by learning a…

This paper presents a novel two-step approach for the fundamental problem of learning an optimal map from one distribution to another. First, we learn an optimal transport (OT) plan, which can be thought as a one-to-many map between the two…

Optimal Transport (OT) has recently emerged as a powerful framework for learning minimal-displacement maps between distributions. The predominant approach involves a neural parametrization of the Monge formulation of OT, typically assuming…

Machine Learning · Computer Science 2024-07-23 Athina Sotiropoulou , David Alvarez-Melis

Normalizing Flows (NFs) are widely used in deep generative models for their exact likelihood estimation and efficient sampling. However, they require substantial memory since the latent space matches the input dimension. Multi-scale…

Machine Learning · Computer Science 2025-12-11 Wei Chen , Shian Du , Shigui Li , Delu Zeng , John Paisley

Orbital-free density functional theory (OF-DFT) for real-space systems has historically depended on Lagrange optimization techniques, primarily due to the inability of previously proposed electron density approaches to ensure the…

Chemical Physics · Physics 2024-11-08 Alexandre de Camargo , Ricky T. Q. Chen , Rodrigo A. Vargas-Hernández

Bayesian optimal experimental design (OED) seeks experiments that maximize the expected information gain (EIG) in model parameters. Directly estimating the EIG using nested Monte Carlo is computationally expensive and requires an explicit…

Machine Learning · Computer Science 2025-04-29 Jiayuan Dong , Christian Jacobsen , Mehdi Khalloufi , Maryam Akram , Wanjiao Liu , Karthik Duraisamy , Xun Huan

Machine Learning (ML) models in Robotic Assembly Sequence Planning (RASP) need to be introspective on the predicted solutions, i.e. whether they are feasible or not, to circumvent potential efficiency degradation. Previous works need both…

Sampling from high-dimensional, multi-modal distributions remains a fundamental challenge across domains such as statistical Bayesian inference and physics-based machine learning. In this paper, we propose Annealing Flow (AF), a method…

Machine Learning · Statistics 2025-05-28 Dongze Wu , Yao Xie

Normalizing flows are a powerful technique for obtaining reparameterizable samples from complex multimodal distributions. Unfortunately, current approaches are only available for the most basic geometries and fall short when the underlying…

Machine Learning · Statistics 2021-05-03 Luca Falorsi

The sampling of probability distributions specified up to a normalization constant is an important problem in both machine learning and statistical mechanics. While classical stochastic sampling methods such as Markov Chain Monte Carlo…

Machine Learning · Statistics 2020-10-27 Hao Wu , Jonas Köhler , Frank Noé

Recently normalizing flows (NFs) have demonstrated state-of-the-art performance on modeling 3D point clouds while allowing sampling with arbitrary resolution at inference time. However, these flow-based models still require long training…

Computer Vision and Pattern Recognition · Computer Science 2021-12-01 Janis Postels , Mengya Liu , Riccardo Spezialetti , Luc Van Gool , Federico Tombari

Normalizing flows are powerful non-parametric statistical models that function as a hybrid between density estimators and generative models. Current learning algorithms for normalizing flows assume that data points are sampled…

Machine Learning · Computer Science 2023-05-31 Matthias Kirchler , Christoph Lippert , Marius Kloft

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…

Machine Learning · Computer Science 2020-06-05 Antoine Wehenkel , Gilles Louppe

The generative paradigm has become increasingly important in machine learning and deep learning models. Among popular generative models are normalizing flows, which enable exact likelihood estimation by transforming a base distribution…

Machine Learning · Computer Science 2025-03-18 Naoufal El Bekri , Lucas Drumetz , Franck Vermet

We present a novel technique for amortized posterior estimation using Normalizing Flows trained with likelihood-weighted importance sampling. This approach allows for the efficient inference of theoretical parameters in high-dimensional…

Machine Learning · Computer Science 2026-02-23 Rajneil Baruah

In optimal transport (OT), a Monge map is known as a mapping that transports a source distribution to a target distribution in the most cost-efficient way. Recently, multiple neural estimators for Monge maps have been developed and applied…

Computer Vision and Pattern Recognition · Computer Science 2024-03-12 Luca Eyring , Dominik Klein , Théo Uscidda , Giovanni Palla , Niki Kilbertus , Zeynep Akata , Fabian Theis