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Efficient sampling of the Boltzmann distribution of molecular systems is a long-standing challenge. Recently, instead of generating long molecular dynamics simulations, generative machine learning methods such as normalizing flows have been…

Machine Learning · Computer Science 2024-08-06 Henrik Schopmans , Pascal Friederich

We introduce a novel generative model for the representation of joint probability distributions of a possibly large number of discrete random variables. The approach uses measure transport by randomized assignment flows on the statistical…

Machine Learning · Statistics 2025-01-15 Bastian Boll , Daniel Gonzalez-Alvarado , Stefania Petra , Christoph Schnörr

We introduce BatchGFN -- a novel approach for pool-based active learning that uses generative flow networks to sample sets of data points proportional to a batch reward. With an appropriate reward function to quantify the utility of…

Machine Learning · Computer Science 2023-06-28 Shreshth A. Malik , Salem Lahlou , Andrew Jesson , Moksh Jain , Nikolay Malkin , Tristan Deleu , Yoshua Bengio , Yarin Gal

In this work, we propose the Generative Latent Flow (GLF), an algorithm for generative modeling of the data distribution. GLF uses an Auto-encoder (AE) to learn latent representations of the data, and a normalizing flow to map the…

Computer Vision and Pattern Recognition · Computer Science 2019-09-24 Zhisheng Xiao , Qing Yan , Yali Amit

Neural processes (NPs) are a powerful family of meta-learning models that seek to approximate the posterior predictive map of the ground-truth stochastic process from which each dataset in a meta-dataset is sampled. There are many cases in…

Machine Learning · Computer Science 2024-06-21 Matthew Ashman , Cristiana Diaconu , Adrian Weller , Richard E. Turner

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

Remarkable progress in zero-shot learning (ZSL) has been achieved using generative models. However, existing generative ZSL methods merely generate (imagine) the visual features from scratch guided by the strong class semantic vectors…

Computer Vision and Pattern Recognition · Computer Science 2025-05-20 Shiming Chen , Dingjie Fu , Salman Khan , Fahad Shahbaz Khan

In this work, we propose FlowTime, a generative model for probabilistic forecasting of multivariate timeseries data. Given historical measurements and optional future covariates, we formulate forecasting as sampling from a learned…

Machine Learning · Computer Science 2026-02-10 Ahmed ElGazzar , Marcel van Gerven

In this work, we propose a novel generative learning paradigm, K-Flow, an algorithm that flows along the $K$-amplitude. Here, $k$ is a scaling parameter that organizes frequency bands (or projected coefficients), and amplitude describes the…

Machine Learning · Computer Science 2025-04-29 Weitao Du , Shuning Chang , Jiasheng Tang , Yu Rong , Fan Wang , Shengchao Liu

Flow-based methods have achieved significant success in various generative modeling tasks, capturing nuanced details within complex data distributions. However, few existing works have exploited this unique capability to resolve…

Machine Learning · Statistics 2026-02-03 Yakun Wang , Leyang Wang , Song Liu , Taiji Suzuki

Flow matching has emerged as a powerful generative framework, with recent few-step methods achieving remarkable inference acceleration. However, we identify a critical yet overlooked limitation: these models suffer from severe diversity…

Machine Learning · Computer Science 2026-04-15 Yexiong Lin , Jia Shi , Shanshan Ye , Wanyu Wang , Yu Yao , Tongliang Liu

Current density modeling approaches suffer from at least one of the following shortcomings: expensive training, slow inference, approximate likelihood, mode collapse or architectural constraints like bijective mappings. We propose a simple…

Machine Learning · Computer Science 2025-10-01 Marcello Massimo Negri , Jonathan Aellen , Manuel Jahn , AmirEhsan Khorashadizadeh , Volker Roth

The numerical simulation of interaction between free flow and porous media, governed by coupled Stokes/Navier--Stokes--Darcy flows, is critical for understanding fluid filtration and physiological transport, yet it is hindered by the high…

Numerical Analysis · Mathematics 2026-05-15 Mengjia Chen , Changxin Qiu , Zhiping Mao , Menghui Xu

This paper proposes a semi-conditional normalizing flow model for semi-supervised learning. The model uses both labelled and unlabeled data to learn an explicit model of joint distribution over objects and labels. Semi-conditional…

Machine Learning · Statistics 2020-06-23 Andrei Atanov , Alexandra Volokhova , Arsenii Ashukha , Ivan Sosnovik , Dmitry Vetrov

We explore the possibility of improving probabilistic models in structured prediction. Specifically, we combine the models with constrained decoding approaches in the context of token classification for information extraction. The decoding…

Computation and Language · Computer Science 2023-12-07 Arthur Hemmer , Mickaël Coustaty , Nicola Bartolo , Jérôme Brachat , Jean-Marc Ogier

Neural processes (NPs) are a class of models that learn stochastic processes directly from data and can be used for inference, sampling and conditional sampling. We introduce a new NP model based on flow matching, a generative modeling…

Machine Learning · Computer Science 2026-01-01 Hussen Abu Hamad , Dan Rosenbaum

Social goods, such as healthcare, smart city, and information networks, often produce ordered event data in continuous time. The generative processes of these event data can be very complex, requiring flexible models to capture their…

Machine Learning · Computer Science 2020-12-29 Shuang Li , Shuai Xiao , Shixiang Zhu , Nan Du , Yao Xie , Le Song

We use machine learning (ML) to infer stress and plastic flow rules using data from repre- sentative polycrystalline simulations. In particular, we use so-called deep (multilayer) neural networks (NN) to represent the two response…

Computational Physics · Physics 2018-09-05 Reese E. Jones , Jeremy A. Templeton , Clay M. Sanders , Jakob T. Ostien

Textless spoken language models (SLMs) are generative models of speech that do not rely on text supervision. Most textless SLMs learn to predict the next semantic token, a discrete representation of linguistic content, and rely on a…

Computation and Language · Computer Science 2025-10-23 Ju-Chieh Chou , Jiawei Zhou , Karen Livescu

Generative Flow Networks (GFlowNets) are a new family of probabilistic samplers where an agent learns a stochastic policy for generating complex combinatorial structure through a series of decision-making steps. Despite being inspired from…

Machine Learning · Computer Science 2024-02-20 Dinghuai Zhang , Ling Pan , Ricky T. Q. Chen , Aaron Courville , Yoshua Bengio