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Recent work has established a path-gradient estimator for simple variational Gaussian distributions and has argued that the path-gradient is particularly beneficial in the regime in which the variational distribution approaches the exact…

Machine Learning · Computer Science 2022-06-22 Lorenz Vaitl , Kim A. Nicoli , Shinichi Nakajima , Pan Kessel

We propose an algorithm to estimate the path-gradient of both the reverse and forward Kullback-Leibler divergence for an arbitrary manifestly invertible normalizing flow. The resulting path-gradient estimators are straightforward to…

Machine Learning · Computer Science 2022-07-19 Lorenz Vaitl , Kim A. Nicoli , Shinichi Nakajima , Pan Kessel

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

Boltzmann Generators have emerged as a promising machine learning tool for generating samples from equilibrium distributions of molecular systems using Normalizing Flows and importance weighting. Recently, Flow Matching has helped speed up…

Machine Learning · Statistics 2025-10-21 Lorenz Vaitl , Leon Klein

Normalizing flows are a class of probabilistic generative models which allow for both fast density computation and efficient sampling and are effective at modelling complex distributions like images. A drawback among current methods is…

Computer Vision and Pattern Recognition · Computer Science 2020-10-28 Jason J. Yu , Konstantinos G. Derpanis , Marcus A. Brubaker

Recently a machine learning approach to Monte-Carlo simulations called Neural Markov Chain Monte-Carlo (NMCMC) is gaining traction. In its most popular form it uses neural networks to construct normalizing flows which are then trained to…

Machine Learning · Statistics 2022-03-01 Piotr Bialas , Piotr Korcyl , Tomasz Stebel

The task of detecting anomalous data patterns is as important in practical applications as challenging. In the context of spatial data, recognition of unexpected trajectories brings additional difficulties, such as high dimensionality and…

We consider standard gradient descent, gradient flow and conjugate gradients as iterative algorithms for minimising a penalised ridge criterion in linear regression. While it is well known that conjugate gradients exhibit fast numerical…

Machine Learning · Statistics 2026-01-30 Laura Hucker , Markus Reiß , Thomas Stark

In neural networks with binary activations and or binary weights the training by gradient descent is complicated as the model has piecewise constant response. We consider stochastic binary networks, obtained by adding noises in front of…

Machine Learning · Statistics 2020-11-05 Alexander Shekhovtsov , Viktor Yanush , Boris Flach

Variational inference with normalizing flows (NFs) is an increasingly popular alternative to MCMC methods. In particular, NFs based on coupling layers (Real NVPs) are frequently used due to their good empirical performance. In theory,…

Machine Learning · Statistics 2024-02-27 Daniel Andrade

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

Calculation of the log-normalizer is a major computational obstacle in applications of log-linear models with large output spaces. The problem of fast normalizer computation has therefore attracted significant attention in the theoretical…

Machine Learning · Statistics 2015-06-19 Jacob Andreas , Maxim Rabinovich , Dan Klein , Michael I. Jordan

Normalizing Flows are generative models that directly maximize the likelihood. Previously, the design of normalizing flows was largely constrained by the need for analytical invertibility. We overcome this constraint by a training procedure…

Machine Learning · Computer Science 2024-04-25 Felix Draxler , Peter Sorrenson , Lea Zimmermann , Armand Rousselot , Ullrich Köthe

Sampling a probability distribution with an unknown normalization constant is a fundamental problem in computational science and engineering. This task may be cast as an optimization problem over all probability measures, and an initial…

Machine Learning · Statistics 2024-09-12 Yifan Chen , Daniel Zhengyu Huang , Jiaoyang Huang , Sebastian Reich , Andrew M. Stuart

Modern reinforcement learning (RL) algorithms have found success by using powerful probabilistic models, such as transformers, energy-based models, and diffusion/flow-based models. To this end, RL researchers often choose to pay the price…

Machine Learning · Computer Science 2025-06-05 Raj Ghugare , Benjamin Eysenbach

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

Regularizing the gradient norm of the output of a neural network with respect to its inputs is a powerful technique, rediscovered several times. This paper presents evidence that gradient regularization can consistently improve…

Machine Learning · Computer Science 2018-05-28 Dániel Varga , Adrián Csiszárik , Zsolt Zombori

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 demonstrate several techniques to encourage practical uses of neural networks for fluid flow estimation. In the present paper, three perspectives which are remaining challenges for applications of machine learning to fluid dynamics are…

Fluid Dynamics · Physics 2022-05-19 Masaki Morimoto , Kai Fukami , Kai Zhang , Koji Fukagata

Normalizing flows provide a general mechanism for defining expressive probability distributions, only requiring the specification of a (usually simple) base distribution and a series of bijective transformations. There has been much recent…

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