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The sampling of probability distributions specified up to a normalization constant is an important problem in both machine learning and statistical mechanics. While classical stochastic sampling methods such as Markov Chain Monte Carlo…

Machine Learning · Statistics 2020-10-27 Hao Wu , Jonas Köhler , Frank Noé

Systems biology relies on mathematical models that often involve complex and intractable likelihood functions, posing challenges for efficient inference and model selection. Generative models, such as normalizing flows, have shown…

Quantitative Methods · Quantitative Biology 2023-12-06 Vincent D. Zaballa , Elliot E. Hui

We describe the study of thermodynamics of materials using replica-exchange Wang-Landau (REWL) sampling, a generic framework for massively parallel implementations of the Wang-Landau Monte Carlo method. To evaluate the performance and…

Materials Science · Physics 2014-11-18 Dilina Perera , Ying Wai Li , Markus Eisenbach , Thomas Vogel , David P. Landau

Deep generative models are becoming widely used across science and industry for a variety of purposes. A common challenge is achieving a precise implicit or explicit representation of the data probability density. Recent proposals have…

Machine Learning · Statistics 2021-11-05 Ramon Winterhalder , Marco Bellagente , Benjamin Nachman

Bayesian posterior inference is prevalent in various machine learning problems. Variational inference provides one way to approximate the posterior distribution, however its expressive power is limited and so is the accuracy of resulting…

Machine Learning · Computer Science 2018-07-11 Guoqing Zheng , Yiming Yang , Jaime Carbonell

Normalizing flows have grown more popular over the last few years; however, they continue to be computationally expensive, making them difficult to be accepted into the broader machine learning community. In this paper, we introduce a…

Machine Learning · Computer Science 2021-12-15 Achintya Gopal

We introduce ImitationFlow, a novel Deep generative model that allows learning complex globally stable, stochastic, nonlinear dynamics. Our approach extends the Normalizing Flows framework to learn stable Stochastic Differential Equations.…

Machine Learning · Computer Science 2020-10-27 Julen Urain , Michelle Ginesi , Davide Tateo , Jan Peters

Diffusion language models (DLMs) have emerged as a promising alternative to autoregressive models for faster inference via parallel token generation. We provide a rigorous foundation for this advantage by formalizing a model of parallel…

Machine Learning · Computer Science 2026-01-01 Haozhe Jiang , Nika Haghtalab , Lijie Chen

Normalizing Flows explicitly maximize a full-dimensional likelihood on the training data. However, real data is typically only supported on a lower-dimensional manifold leading the model to expend significant compute on modeling noise.…

Machine Learning · Computer Science 2024-06-28 Peter Sorrenson , Felix Draxler , Armand Rousselot , Sander Hummerich , Lea Zimmermann , Ullrich Köthe

We present a novel generative modeling method called diffusion normalizing flow based on stochastic differential equations (SDEs). The algorithm consists of two neural SDEs: a forward SDE that gradually adds noise to the data to transform…

Machine Learning · Computer Science 2021-10-15 Qinsheng Zhang , Yongxin Chen

Reliably characterizing the full conditional distribution of a multivariate response variable given a set of covariates is crucial for trustworthy decision-making. However, misspecified or miscalibrated multivariate models may yield a poor…

Machine Learning · Computer Science 2025-10-27 Victor Dheur , Souhaib Ben Taieb

Large language models (LLMs) are routinely pre-trained on billions of tokens, only to start the process over again once new data becomes available. A much more efficient solution is to continually pre-train these models, saving significant…

Many components of data analysis in high energy physics and beyond require morphing one dataset into another. This is commonly solved via reweighting, but there are many advantages of preserving weights and shifting the data points instead.…

High Energy Physics - Phenomenology · Physics 2023-11-22 Tobias Golling , Samuel Klein , Radha Mastandrea , Benjamin Nachman , John Andrew Raine

We investigate an existing distributed algorithm for learning sparse signals or data over networks. The algorithm is iterative and exchanges intermediate estimates of a sparse signal over a network. This learning strategy using exchange of…

Machine Learning · Statistics 2017-09-25 Ahmed Zaki , Partha P. Mitra , Lars K. Rasmussen , Saikat Chatterjee

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

Training Memory-based transformers can require a large amount of memory and can be quite inefficient. We propose a novel two-phase training mechanism and a novel regularization technique to improve the training efficiency of memory-based…

Machine Learning · Computer Science 2023-11-15 Vishwajit Kumar Vishnu , C. Chandra Sekhar

We introduce graph normalizing flows: a new, reversible graph neural network model for prediction and generation. On supervised tasks, graph normalizing flows perform similarly to message passing neural networks, but at a significantly…

Machine Learning · Computer Science 2019-05-31 Jenny Liu , Aviral Kumar , Jimmy Ba , Jamie Kiros , Kevin Swersky

The recent introduction of machine learning techniques, especially normalizing flows, for the sampling of lattice gauge theories has shed some hope on improving the sampling efficiency of the traditional HMC algorithm. Naive use of…

High Energy Physics - Lattice · Physics 2022-12-06 David Albandea , Luigi Del Debbio , Pilar Hernández , Richard Kenway , Joe Marsh Rossney , Alberto Ramos

We propose a new Neural Galerkin Normalizing Flow framework to approximate the transition probability density function of a diffusion process by solving the corresponding Fokker-Planck equation with an atomic initial distribution,…

Machine Learning · Computer Science 2026-03-20 Riccardo Saporiti , Fabio Nobile

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…

Strongly Correlated Electrons · Physics 2026-01-27 Janik Kreit , Andrea Bulgarelli , Lena Funcke , Thomas Luu , Dominic Schuh , Simran Singh , Lorenzo Verzichelli