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Parameter inference and uncertainty quantification are important steps when relating mathematical models to real-world observations, and when estimating uncertainty in model predictions. However, methods for doing this can be…

Quantitative Methods · Quantitative Biology 2025-08-27 Michael J. Plank , Matthew J. Simpson

Calibrating mathematical models of biological processes is essential for achieving predictive accuracy and gaining mechanistic insight. However, this task remains challenging due to limited and noisy data, significant biological…

Quantitative Methods · Quantitative Biology 2025-12-04 Piotr Gwiazda , Alexey Kazarnikov , Anna Marciniak-Czochra , Zuzanna Szymańska

Likelihood-free inference involves inferring parameter values given observed data and a simulator model. The simulator is computer code which takes parameters, performs stochastic calculations, and outputs simulated data. In this work, we…

Computation · Statistics 2023-01-30 Dennis Prangle , Cecilia Viscardi

Predicting future states or actions of a given system remains a fundamental, yet unsolved challenge of intelligence, especially in the scope of complex and non-deterministic scenarios, such as modeling behavior of humans. Existing…

Machine Learning · Computer Science 2020-12-01 Maciej Zięba , Marcin Przewięźlikowski , Marek Śmieja , Jacek Tabor , Tomasz Trzcinski , Przemysław Spurek

This work presents mixed variational flows (MixFlows), a new variational family that consists of a mixture of repeated applications of a map to an initial reference distribution. First, we provide efficient algorithms for i.i.d. sampling,…

Machine Learning · Statistics 2025-06-03 Zuheng Xu , Naitong Chen , Trevor Campbell

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

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

Due to the non-stationarity of time series, the distribution shift problem largely hinders the performance of time series forecasting. Existing solutions either rely on using certain statistics to specify the shift, or developing specific…

Machine Learning · Computer Science 2025-02-10 Wei Fan , Shun Zheng , Pengyang Wang , Rui Xie , Kun Yi , Qi Zhang , Jiang Bian , Yanjie Fu

Normalizing flows are a class of deep generative models that are especially interesting for modeling probability distributions in physics, where the exact likelihood of flows allows reweighting to known target energy functions and computing…

Machine Learning · Statistics 2023-11-27 Leon Klein , Andreas Krämer , Frank Noé

Normalizing flows are invertible neural networks with tractable change-of-volume terms, which allow optimization of their parameters to be efficiently performed via maximum likelihood. However, data of interest are typically assumed to live…

Machine Learning · Statistics 2021-11-04 Anthony L. Caterini , Gabriel Loaiza-Ganem , Geoff Pleiss , John P. Cunningham

The normalization constraint on probability density poses a significant challenge for solving the Fokker-Planck equation. Normalizing Flow, an invertible generative model leverages the change of variables formula to ensure probability…

Machine Learning · Computer Science 2023-09-28 Feng Liu , Faguo Wu , Xiao Zhang

Systems biology seeks to create math models of biological systems to reduce inherent biological complexity and provide predictions for applications such as therapeutic development. However, it remains a challenge to determine which math…

Quantitative Methods · Quantitative Biology 2022-08-05 Vincent D. Zaballa , Elliot E. Hui

Deep neural networks, when optimized with sufficient data, provide accurate representations of high-dimensional functions; in contrast, function approximation techniques that have predominated in scientific computing do not scale well with…

Data Analysis, Statistics and Probability · Physics 2021-03-15 Grant M. Rotskoff , Andrew R. Mitchell , Eric Vanden-Eijnden

We demonstrate several techniques to encourage practical uses of neural networks for fluid flow estimation. In the present paper, three perspectives which are remaining challenges for applications of machine learning to fluid dynamics are…

Fluid Dynamics · Physics 2022-05-19 Masaki Morimoto , Kai Fukami , Kai Zhang , Koji Fukagata

Variational inference with normalizing flows (NFs) is an increasingly popular alternative to MCMC methods. In particular, NFs based on coupling layers (Real NVPs) are frequently used due to their good empirical performance. In theory,…

Machine Learning · Statistics 2024-02-27 Daniel Andrade

Normalizing flows model probability distributions through an expressive tractable density. They transform a simple base distribution, such as a Gaussian, through a sequence of invertible functions, which are referred to as layers. These…

Through examples of coordinate and probability transformation between different distributions, the basic principle of normalizing flow is introduced in a simple and concise manner. From the perspective of the distribution of random variable…

Machine Learning · Computer Science 2024-01-22 Hongjun Zhang

Deep generative frameworks including GANs and normalizing flow models have proven successful at filling in missing values in partially observed data samples by effectively learning -- either explicitly or implicitly -- complex,…

Machine Learning · Computer Science 2021-04-06 Edgar A. Bernal

A fundamental question in systems biology is what combinations of mean and variance of the species present in a stochastic biochemical reaction network are attainable by perturbing the system with an external signal. To address this…

Systems and Control · Computer Science 2017-05-02 Francesca Parise , Maria Elena Valcher , John Lygeros

Given datasets from multiple domains, a key challenge is to efficiently exploit these data sources for modeling a target domain. Variants of this problem have been studied in many contexts, such as cross-domain translation and domain…

Machine Learning · Computer Science 2019-12-24 Aditya Grover , Christopher Chute , Rui Shu , Zhangjie Cao , Stefano Ermon