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Graph neural networks (GNNs) have shown promise in learning unstructured mesh-based simulations of physical systems, including fluid dynamics. In tandem, geometric deep learning principles have informed the development of equivariant…

流体动力学 · 物理学 2023-07-13 Varun Shankar , Shivam Barwey , Zico Kolter , Romit Maulik , Venkatasubramanian Viswanathan

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…

计算物理 · 物理学 2022-08-23 Alessandro Coretti , Sebastian Falkner , Phillip Geissler , Christoph Dellago

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…

机器学习 · 计算机科学 2025-12-11 Wei Chen , Shian Du , Shigui Li , Delu Zeng , John Paisley

A generative model based on a continuous-time normalizing flow between any pair of base and target probability densities is proposed. The velocity field of this flow is inferred from the probability current of a time-dependent density that…

机器学习 · 计算机科学 2023-03-10 Michael S. Albergo , Eric Vanden-Eijnden

Normalizing flows map an independent set of latent variables to their samples using a bijective transformation. Despite the exact correspondence between samples and latent variables, their high level relationship is not well understood. In…

机器学习 · 统计学 2022-02-16 Edmond Cunningham , Adam Cobb , Susmit Jha

To overcome topological constraints and improve the expressiveness of normalizing flow architectures, Wu, K\"ohler and No\'e introduced stochastic normalizing flows which combine deterministic, learnable flow transformations with stochastic…

机器学习 · 计算机科学 2022-12-02 Paul Hagemann , Johannes Hertrich , Gabriele Steidl

Ptychography, as an essential tool for high-resolution and nondestructive material characterization, presents a challenging large-scale nonlinear and non-convex inverse problem; however, its intrinsic photon statistics create clear…

机器学习 · 统计学 2021-11-02 Agnimitra Dasgupta , Zichao Wendy Di

The importance of proper data normalization for deep neural networks is well known. However, in continuous-time state-space model estimation, it has been observed that improper normalization of either the hidden state or hidden state…

系统与控制 · 电气工程与系统科学 2024-05-15 Jonas Weigand , Gerben I. Beintema , Jonas Ulmen , Daniel Görges , Roland Tóth , Maarten Schoukens , Martin Ruskowski

Current neural architectures lack a principled way to handle interchangeable tokens, i.e., symbols that are semantically equivalent yet distinguishable, such as bound variables. As a result, models trained on fixed vocabularies often…

机器学习 · 计算机科学 2026-02-02 İlker Işık , Wenchao Li

Flexible models for probability distributions are an essential ingredient in many machine learning tasks. We develop and investigate a new class of probability distributions, which we call a Squared Neural Family (SNEFY), formed by squaring…

机器学习 · 计算机科学 2023-10-27 Russell Tsuchida , Cheng Soon Ong , Dino Sejdinovic

Normalizing flows are objects used for modeling complicated probability density functions, and have attracted considerable interest in recent years. Many flexible families of normalizing flows have been developed. However, the focus to date…

统计方法学 · 统计学 2023-01-18 Tin Lok James Ng , Andrew Zammit-Mangion

Explicit density learners are becoming an increasingly popular technique for generative models because of their ability to better model probability distributions. They have advantages over Generative Adversarial Networks due to their…

机器学习 · 计算机科学 2025-06-27 Steven Walton , Valeriy Klyukin , Maksim Artemev , Denis Derkach , Nikita Orlov , Humphrey Shi

Normalizing flows have shown great promise for modelling flexible probability distributions in a computationally tractable way. However, whilst data is often naturally described on Riemannian manifolds such as spheres, torii, and hyperbolic…

机器学习 · 统计学 2020-12-10 Emile Mathieu , Maximilian Nickel

Sampling from unnormalized densities is analogous to the generative modeling problem, but the target distribution is defined by a known energy function instead of data samples. Because evaluating the energy function is often costly, a…

机器学习 · 计算机科学 2026-05-06 Aaron Havens , Brian Karrer , Neta Shaul

Learning from set-structured data, such as point clouds, has gained significant attention from the machine learning community. Geometric deep learning provides a blueprint for designing effective set neural networks that preserve the…

计算机视觉与模式识别 · 计算机科学 2024-07-16 Abihith Kothapalli , Ashkan Shahbazi , Xinran Liu , Robert Sheng , Soheil Kolouri

Scale invariance profoundly influences the dynamics and structure of complex systems, spanning from critical phenomena to network architecture. Here, we propose a precise definition of scale-invariant networks by leveraging the concept of a…

统计力学 · 物理学 2024-12-17 Anna Poggialini , Pablo Villegas , Miguel A. Muñoz , Andrea Gabrielli

Model sets (also called cut and project sets) are generalizations of lattices, and multi-component model sets are generalizations of lattices with colourings. In this paper, we study self-similarities of multi-component model sets. The main…

数学物理 · 物理学 2007-05-23 Michael Baake , Robert V. Moody

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…

机器学习 · 计算机科学 2023-09-11 Keegan Kelly , Lorena Piedras , Sukrit Rao , David Roth

Quantum Computing offers a potentially powerful new method for performing Machine Learning. However, several Quantum Machine Learning techniques have been shown to exhibit poor generalisation as the number of qubits increases. We address…

量子物理 · 物理学 2024-05-21 Jamie Heredge , Charles Hill , Lloyd Hollenberg , Martin Sevior

Normalizing flows have recently demonstrated the ability to learn the Boltzmann distribution of the Hubbard model, opening new avenues for generative modeling in condensed matter physics. In this work, we investigate the steps required to…