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In traditional Graph Neural Networks (GNNs), the assumption of a fixed embedding manifold often limits their adaptability to diverse graph geometries. Recently, Hamiltonian system-inspired GNNs have been proposed to address the dynamic…

Machine Learning · Computer Science 2024-07-25 Jiaxu Liu , Xinping Yi , Tianle Zhang , Xiaowei Huang

The solution of problems in physics is often facilitated by a change of variables. In this work we present neural transformations to learn symmetries of Hamiltonian mechanical systems. Maintaining the Hamiltonian structure requires novel…

Computational Physics · Physics 2019-06-12 Roberto Bondesan , Austen Lamacraft

In recent years, nonlinear dynamic system identification using artificial neural networks has garnered attention due to its broad potential applications across science and engineering. However, purely data-driven approaches often struggle…

Machine Learning · Computer Science 2025-11-06 Fabian J. Roth , Dominik K. Klein , Maximilian Kannapinn , Jan Peters , Oliver Weeger

Despite their popularity, to date, the application of normalizing flows on categorical data stays limited. The current practice of using dequantization to map discrete data to a continuous space is inapplicable as categorical data has no…

Machine Learning · Computer Science 2021-01-22 Phillip Lippe , Efstratios Gavves

Stochastic differential equations (SDEs) are well suited to modelling noisy and irregularly sampled time series found in finance, physics, and machine learning. Traditional approaches require costly numerical solvers to sample between…

Machine Learning · Computer Science 2025-10-30 Naoki Kiyohara , Edward Johns , Yingzhen Li

The past few years have witnessed an increased interest in learning Hamiltonian dynamics in deep learning frameworks. As an inductive bias based on physical laws, Hamiltonian dynamics endow neural networks with accurate long-term…

Machine Learning · Computer Science 2022-03-02 Zhijie Chen , Mingquan Feng , Junchi Yan , Hongyuan Zha

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

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.…

High Energy Physics - Phenomenology · Physics 2025-03-06 Florian Ernst , Luigi Favaro , Claudius Krause , Tilman Plehn , David Shih

We propose the NFLikelihood, an unsupervised version, based on Normalizing Flows, of the DNNLikelihood proposed in Ref.[1]. We show, through realistic examples, how Autoregressive Flows, based on affine and rational quadratic spline…

High Energy Physics - Phenomenology · Physics 2024-05-17 Humberto Reyes-Gonzalez , Riccardo Torre

Fluid prediction is a long-standing challenge due to the intrinsic high-dimensional non-linear dynamics. Previous methods usually utilize the non-linear modeling capability of deep models to directly estimate velocity fields for future…

Machine Learning · Computer Science 2024-06-10 Lanxiang Xing , Haixu Wu , Yuezhou Ma , Jianmin Wang , Mingsheng Long

Uncertainty quantification provides quantitative measures on the reliability of candidate solutions of ill-posed inverse problems. Due to their sequential nature, Monte Carlo sampling methods require large numbers of sampling steps for…

Geophysics · Physics 2021-04-14 Ali Siahkoohi , Felix J. Herrmann

Deep generative models complement Markov-chain-Monte-Carlo methods for efficiently sampling from high-dimensional distributions. Among these methods, explicit generators, such as Normalising Flows (NFs), in combination with the Metropolis…

Machine Learning · Computer Science 2024-05-29 Vikas Kanaujia , Mathias S. Scheurer , Vipul Arora

Generative modeling seeks to uncover the underlying factors that give rise to observed data that can often be modeled as the natural symmetries that manifest themselves through invariances and equivariances to certain transformation laws.…

Machine Learning · Computer Science 2022-08-16 Avishek Joey Bose , Marcus Brubaker , Ivan Kobyzev

Recent advances in variational inference enable the modelling of highly structured joint distributions, but are limited in their capacity to scale to the high-dimensional setting of stochastic neural networks. This limitation motivates a…

Building on the recent trend of new deep generative models known as Normalizing Flows (NF), simulation-based inference (SBI) algorithms can now efficiently accommodate arbitrary complex and high-dimensional data distributions. The…

Machine Learning · Statistics 2022-11-28 Julia Linhart , Alexandre Gramfort , Pedro L. C. Rodrigues

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

In this paper we propose Discretely Indexed flows (DIF) as a new tool for solving variational estimation problems. Roughly speaking, DIF are built as an extension of Normalizing Flows (NF), in which the deterministic transport becomes…

Machine Learning · Statistics 2022-04-05 Elouan Argouarc'h , François Desbouvries , Eric Barat , Eiji Kawasaki , Thomas Dautremer

While generative modeling has achieved remarkable success on tasks like natural language-conditioned image generation, enabling model adaptation from example data points remains a relatively underexplored and challenging problem. To this…

Machine Learning · Computer Science 2026-05-08 Tyler Ingebrand , Ruihan Zhao , Kushagra Gupta , David Fridovich-Keil , Sandeep P. Chinchali , Ufuk Topcu

Modeling complex systems that evolve toward equilibrium distributions is important in various physical applications, including molecular dynamics and robotic control. These systems often follow the stochastic gradient descent of an…

Machine Learning · Computer Science 2024-10-16 Christopher Iliffe Sprague , Arne Elofsson , Hossein Azizpour

Recently, there has been a surge of interest in incorporating neural networks into particle filters, e.g. differentiable particle filters, to perform joint sequential state estimation and model learning for non-linear non-Gaussian…

Machine Learning · Computer Science 2025-01-07 Xiongjie Chen , Yunpeng Li