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We introduce graph normalizing flows: a new, reversible graph neural network model for prediction and generation. On supervised tasks, graph normalizing flows perform similarly to message passing neural networks, but at a significantly…

Machine Learning · Computer Science 2019-05-31 Jenny Liu , Aviral Kumar , Jimmy Ba , Jamie Kiros , Kevin Swersky

Normalizing flows attempt to model an arbitrary probability distribution through a set of invertible mappings. These transformations are required to achieve a tractable Jacobian determinant that can be used in high-dimensional scenarios.…

Machine Learning · Statistics 2020-04-14 Hadi M. Dolatabadi , Sarah Erfani , Christopher Leckie

This study presents a conditional flow matching framework for solving physics-constrained Bayesian inverse problems. In this setting, samples from the joint distribution of inferred variables and measurements are assumed available, while…

We study zeroth-order optimization where solutions must minimize a cost $d(s)$ while maintaining high probability under a complex generative prior $L(s)$ (e.g., a parameterized model). This reduces to sampling from a target distribution…

Machine Learning · Computer Science 2026-05-06 Pranjal Awasthi , Sreenivas Gollapudi , Ravi Kumar , Kamesh Munagala

Estimating density ratios between pairs of intractable data distributions is a core problem in probabilistic modeling, enabling principled comparisons of sample likelihoods under different data-generating processes across conditions and…

Machine Learning · Computer Science 2026-03-02 Egor Antipov , Alessandro Palma , Lorenzo Consoli , Stephan Günnemann , Andrea Dittadi , Fabian J. Theis

Two apparently unrelated fields -- normalizing flows and causality -- have recently received considerable attention in the machine learning community. In this work, we highlight an intrinsic correspondence between a simple family of…

Machine Learning · Statistics 2021-02-25 Ilyes Khemakhem , Ricardo Pio Monti , Robert Leech , Aapo Hyvärinen

Likelihood-free methods perform parameter inference in stochastic simulator models where evaluating the likelihood is intractable but sampling synthetic data is possible. One class of methods for this likelihood-free problem uses a…

Machine Learning · Statistics 2020-12-21 Conor Durkan , Iain Murray , George Papamakarios

This paper investigates energy guidance in generative modeling, where the target distribution is defined as $q(\mathbf x) \propto p(\mathbf x)\exp(-\beta \mathcal E(\mathbf x))$, with $p(\mathbf x)$ being the data distribution and $\mathcal…

Machine Learning · Computer Science 2025-03-10 Shiyuan Zhang , Weitong Zhang , Quanquan Gu

Energy-based models (EBMs) have experienced a resurgence within machine learning in recent years, including as a promising alternative for probabilistic regression. However, energy-based regression requires a proposal distribution to be…

Machine Learning · Computer Science 2023-11-08 Fredrik K. Gustafsson , Martin Danelljan , Thomas B. Schön

Generative Flow Networks (GFlowNets), a new family of probabilistic samplers, have demonstrated remarkable capabilities to generate diverse sets of high-reward candidates, in contrast to standard return maximization approaches (e.g.,…

Machine Learning · Computer Science 2025-02-25 Haoran He , Can Chang , Huazhe Xu , Ling Pan

Discrete flow-based models are a recently proposed class of generative models that learn invertible transformations for discrete random variables. Since they do not require data dequantization and maximize an exact likelihood objective,…

Machine Learning · Computer Science 2021-07-27 Alexandra Lindt , Emiel Hoogeboom

Reinforcement learning policies are typically represented by black-box neural networks, which are non-interpretable and not well-suited for safety-critical domains. To address both of these issues, we propose constrained normalizing flow…

Machine Learning · Computer Science 2024-05-03 Finn Rietz , Erik Schaffernicht , Stefan Heinrich , Johannes A. Stork

We present a computational framework for efficient learning, sampling, and distribution of general Bayesian posterior distributions. The framework leverages a machine learning approach for the construction of normalizing flows for the…

Nuclear Theory · Physics 2023-10-10 Yukari Yamauchi , Landon Buskirk , Pablo Giuliani , Kyle Godbey

Generative Flow Networks (GFlowNets) have been introduced as a method to sample a diverse set of candidates in an active learning context, with a training objective that makes them approximately sample in proportion to a given reward…

Machine Learning · Computer Science 2026-01-27 Yoshua Bengio , Salem Lahlou , Tristan Deleu , Edward J. Hu , Mo Tiwari , Emmanuel Bengio

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic…

Machine Learning · Computer Science 2024-03-12 Dinghuai Zhang , Ricky T. Q. Chen , Cheng-Hao Liu , Aaron Courville , Yoshua Bengio

Generative Flow Networks (GFlowNets) are recently proposed models for learning stochastic policies that generate compositional objects by sequences of actions with the probability proportional to a given reward function. The central problem…

Machine Learning · Computer Science 2022-10-03 Anh Do , Duy Dinh , Tan Nguyen , Khuong Nguyen , Stanley Osher , Nhat Ho

We formulate the inverse problem in a Bayesian framework and aim to train a generative model that allows us to simulate (i.e., sample from the likelihood) and do inference (i.e., sample from the posterior). We review the use of triangular…

Machine Learning · Statistics 2025-09-05 Tristan van Leeuwen , Christoph Brune , Marcello Carioni

In this work, we propose a new family of generative flows on an augmented data space, with an aim to improve expressivity without drastically increasing the computational cost of sampling and evaluation of a lower bound on the likelihood.…

Machine Learning · Computer Science 2020-02-19 Chin-Wei Huang , Laurent Dinh , Aaron Courville

We present energy-based generative flow networks (EB-GFN), a novel probabilistic modeling algorithm for high-dimensional discrete data. Building upon the theory of generative flow networks (GFlowNets), we model the generation process by a…

Machine Learning · Computer Science 2022-06-10 Dinghuai Zhang , Nikolay Malkin , Zhen Liu , Alexandra Volokhova , Aaron Courville , Yoshua Bengio

Auto-regressive sequence generative models trained by Maximum Likelihood Estimation suffer the exposure bias problem in practical finite sample scenarios. The crux is that the number of training samples for Maximum Likelihood Estimation is…

Machine Learning · Statistics 2020-07-14 Yuxuan Song , Ning Miao , Hao Zhou , Lantao Yu , Mingxuan Wang , Lei Li