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Process optimization in chemical engineering may be hindered by the limited availability of reliable thermodynamic data for fluid mixtures. Remarkable progress is being made in predicting thermodynamic mixture properties by machine learning…

Computational Engineering, Finance, and Science · Computer Science 2025-10-14 Martin Bubel , Tobias Seidel , Michael Bortz

Recently, combinations of generative and Bayesian machine learning have been introduced in particle physics for both fast detector simulation and inference tasks. These neural networks aim to quantify the uncertainty on the generated…

Machine Learning · Computer Science 2024-11-21 Sebastian Bieringer , Sascha Diefenbacher , Gregor Kasieczka , Mathias Trabs

Continuous normalizing flows (CNFs) are a generative method for learning probability distributions, which is based on ordinary differential equations. This method has shown remarkable empirical success across various applications, including…

Machine Learning · Statistics 2024-04-02 Yuan Gao , Jian Huang , Yuling Jiao , Shurong Zheng

Recent advances in MCMC use normalizing flows to precondition target distributions and enable jumps to distant regions. However, there is currently no systematic comparison of different normalizing flow architectures for MCMC. As such, many…

Machine Learning · Computer Science 2025-10-10 David Nabergoj , Erik Štrumbelj

Normalizing flows (NF) use a continuous generator to map a simple latent (e.g. Gaussian) distribution, towards an empirical target distribution associated with a training data set. Once trained by minimizing a variational objective, the…

Machine Learning · Statistics 2023-05-23 Florentin Coeurdoux , Nicolas Dobigeon , Pierre Chainais

Existing machine learning methods for causal inference usually estimate quantities expressed via the mean of potential outcomes (e.g., average treatment effect). However, such quantities do not capture the full information about the…

Machine Learning · Computer Science 2023-06-21 Valentyn Melnychuk , Dennis Frauen , Stefan Feuerriegel

We introduce an architecture for neural quantum states for many-body quantum-mechanical systems, based on normalizing flows. The use of normalizing flows enables efficient uncorrelated sampling of configurations from the probability…

Quantum Physics · Physics 2024-06-05 Scott Lawrence , Arlee Shelby , Yukari Yamauchi

We introduce `atomic flows': they are graphs obtained from derivations by tracing atom occurrences and forgetting the logical structure. We study simple manipulations of atomic flows that correspond to complex reductions on derivations.…

Logic · Mathematics 2015-07-01 Alessio Guglielmi , Tom Gundersen

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…

Machine Learning · Computer Science 2021-06-10 T. Anderson Keller , Jorn W. T. Peters , Priyank Jaini , Emiel Hoogeboom , Patrick Forré , Max Welling

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 flexible, parameterized distributions that can be used to approximate expectations from intractable distributions via importance sampling. However, current flow-based approaches are limited on challenging targets where…

Machine Learning · Computer Science 2022-03-15 Laurence Illing Midgley , Vincent Stimper , Gregor N. C. Simm , José Miguel Hernández-Lobato

We propose Multiscale Flow, a generative Normalizing Flow that creates samples and models the field-level likelihood of two-dimensional cosmological data such as weak lensing. Multiscale Flow uses hierarchical decomposition of cosmological…

Cosmology and Nongalactic Astrophysics · Physics 2024-02-16 Biwei Dai , Uros Seljak

We propose a new Neural Galerkin Normalizing Flow framework to approximate the transition probability density function of a diffusion process by solving the corresponding Fokker-Planck equation with an atomic initial distribution,…

Machine Learning · Computer Science 2026-03-20 Riccardo Saporiti , Fabio Nobile

Generative AI (GenAI) has revolutionized data-driven modeling by enabling the synthesis of high-dimensional data across various applications, including image generation, language modeling, biomedical signal processing, and anomaly…

Machine Learning · Computer Science 2025-09-09 Yao Xie , Xiuyuan Cheng

Generative models, such as the method of normalizing flows, have been suggested as alternatives to the standard algorithms for generating lattice gauge field configurations. Studies with the method of normalizing flows demonstrate the proof…

High Energy Physics - Lattice · Physics 2023-01-05 Javad Komijani , Marina K. Marinkovic

Sampling from high-dimensional distributions is a fundamental problem in statistical research and practice. However, great challenges emerge when the target density function is unnormalized and contains isolated modes. We tackle this…

Methodology · Statistics 2023-04-11 Yixuan Qiu , Xiao Wang

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…

Numerous applications of machine learning involve representing probability distributions over high-dimensional data. We propose autoregressive quantile flows, a flexible class of normalizing flow models trained using a novel objective based…

Machine Learning · Computer Science 2023-02-17 Phillip Si , Allan Bishop , Volodymyr Kuleshov

Estimating the expectation of a real-valued function of a random variable from sample data is a critical aspect of statistical analysis, with far-reaching implications in various applications. Current methodologies typically assume…

Machine Learning · Computer Science 2026-02-18 Paweł Lorek , Rafał Nowak , Rafał Topolnicki , Tomasz Trzciński , Maciej Zięba , Aleksandra Krystecka

Normalizing Flows (NFs) describe a class of models that express a complex target distribution as the composition of a series of bijective transformations over a simpler base distribution. By limiting the space of candidate transformations…

Machine Learning · Computer Science 2023-09-11 Keegan Kelly , Lorena Piedras , Sukrit Rao , David Roth