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Spherical equivariant graph neural networks (EGNNs) provide a principled framework for learning on three-dimensional molecular and biomolecular systems, where predictions must respect the rotational symmetries inherent in physics. These…

Machine Learning · Computer Science 2025-12-17 Sophia Tang

Sampling from high-dimensional, multi-modal distributions remains a fundamental challenge across domains such as statistical Bayesian inference and physics-based machine learning. In this paper, we propose Annealing Flow (AF), a method…

Machine Learning · Statistics 2025-05-28 Dongze Wu , Yao Xie

Incorporating group symmetry directly into the learning process has proved to be an effective guideline for model design. By producing features that are guaranteed to transform covariantly to the group actions on the inputs,…

Computer Vision and Pattern Recognition · Computer Science 2021-11-23 Liyao Gao , Guang Lin , Wei Zhu

We revisit a simple model class for machine learning on graphs, where a random walk on a graph produces a machine-readable record, and this record is processed by a deep neural network to directly make vertex-level or graph-level…

Machine Learning · Computer Science 2025-03-06 Jinwoo Kim , Olga Zaghen , Ayhan Suleymanzade , Youngmin Ryou , Seunghoon Hong

This work proposes a novel methodology for turbulence modeling in Large Eddy Simulation (LES) based on Graph Neural Networks (GNNs), which embeds the discrete rotational, reflectional and translational symmetries of the Navier-Stokes…

Fluid Dynamics · Physics 2025-04-11 Marius Kurz , Andrea Beck , Benjamin Sanderse

Current generative models, such as autoregressive and diffusion approaches, decompose high-dimensional data distribution learning into a series of simpler subtasks. However, inherent conflicts arise during the joint optimization of these…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Ruixiao Dong , Mengde Xu , Zigang Geng , Li Li , Han Hu , Shuyang Gu

We present a generative model that is defined on finite sets of exchangeable, potentially high dimensional, data. As the architecture is an extension of RealNVPs, it inherits all its favorable properties, such as being invertible and…

Machine Learning · Computer Science 2019-09-09 Kashif Rasul , Ingmar Schuster , Roland Vollgraf , Urs Bergmann

We introduce the Convolutional Conditional Neural Process (ConvCNP), a new member of the Neural Process family that models translation equivariance in the data. Translation equivariance is an important inductive bias for many learning…

We present a likelihood-free probabilistic inversion method based on normalizing flows for high-dimensional inverse problems. The proposed method is composed of two complementary networks: a summary network for data compression and an…

Machine Learning · Computer Science 2024-12-30 Jice Zeng , Yuanzhe Wang , Alexandre M. Tartakovsky , David Barajas-Solano

We present a new generalizable NeRF method that is able to directly generalize to new unseen scenarios and perform novel view synthesis with as few as two source views. The key to our approach lies in the explicitly modeled correspondence…

Computer Vision and Pattern Recognition · Computer Science 2025-08-25 Yuedong Chen , Haofei Xu , Qianyi Wu , Chuanxia Zheng , Tat-Jen Cham , Jianfei Cai

Normalizing Flows (NF) are powerful likelihood-based generative models that are able to trade off between expressivity and tractability to model complex densities. A now well established research avenue leverages optimal transport (OT) and…

Machine Learning · Computer Science 2023-04-17 Guillaume Morel , Lucas Drumetz , Simon Benaïchouche , Nicolas Courty , François Rousseau

Tabular neural network (NN) has attracted remarkable attentions and its recent advances have gradually narrowed the performance gap with respect to tree-based models on many public datasets. While the mainstreams focus on calibrating NN to…

Machine Learning · Computer Science 2024-03-05 Xuan Li , Yun Wang , Bo Li

The probability prediction of multivariate time series is a notoriously challenging but practical task. On the one hand, the challenge is how to effectively capture the cross-series correlations between interacting time series, to achieve…

Machine Learning · Computer Science 2023-07-24 Shibo Feng , Chunyan Miao , Ke Xu , Jiaxiang Wu , Pengcheng Wu , Yang Zhang , Peilin Zhao

Graph convolutional neural networks (GCNNs) have received much attention recently, owing to their capability in handling graph-structured data. Among the existing GCNNs, many methods can be viewed as instances of a neural message passing…

Machine Learning · Computer Science 2021-03-19 Tien Huu Do , Duc Minh Nguyen , Giannis Bekoulis , Adrian Munteanu , Nikos Deligiannis

Machine learning is gaining growing momentum in various recent models for the dynamic analysis of information flows in data communications networks. These preliminary models often rely on off-the-shelf learning models to predict from…

Machine Learning · Computer Science 2023-04-04 Xiangle Cheng , James He , Shihan Xiao , Yingxue Zhang , Zhitang Chen , Pascal Poupart , Fenglin Li

Translating or rotating an input image should not affect the results of many computer vision tasks. Convolutional neural networks (CNNs) are already translation equivariant: input image translations produce proportionate feature map…

Computer Vision and Pattern Recognition · Computer Science 2017-04-12 Daniel E. Worrall , Stephan J. Garbin , Daniyar Turmukhambetov , Gabriel J. Brostow

The performance of flow matching and diffusion models can be greatly improved at inference time using reward alignment algorithms, yet efficiency remains a major limitation. While several algorithms were proposed, we demonstrate that a…

Machine Learning · Computer Science 2026-02-12 Peter Holderrieth , Uriel Singer , Tommi Jaakkola , Ricky T. Q. Chen , Yaron Lipman , Brian Karrer

The recently proposed generative flow networks (GFlowNets) are a method of training a policy to sample compositional discrete objects with probabilities proportional to a given reward via a sequence of actions. GFlowNets exploit the…

Machine Learning · Computer Science 2024-02-27 Daniil Tiapkin , Nikita Morozov , Alexey Naumov , Dmitry Vetrov

Normalizing flows and autoregressive models have been successfully combined to produce state-of-the-art results in density estimation, via Masked Autoregressive Flows (MAF), and to accelerate state-of-the-art WaveNet-based speech synthesis…

Machine Learning · Computer Science 2018-04-04 Chin-Wei Huang , David Krueger , Alexandre Lacoste , Aaron Courville

This article deals with approximating steady-state particle-resolved fluid flow around a fixed particle of interest under the influence of randomly distributed stationary particles in a dispersed multiphase setup using Convolutional Neural…

Fluid Dynamics · Physics 2021-10-25 Bhargav Sriram Siddani , S. Balachandar , Ruogu Fang
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