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Understanding the dynamics of complex molecular processes is often linked to the study of infrequent transitions between long-lived stable states. The standard approach to the sampling of such rare events is to generate an ensemble of…

Computational Physics · Physics 2023-05-22 Sebastian Falkner , Alessandro Coretti , Salvatore Romano , Phillip Geissler , Christoph Dellago

Machine understanding of complex images is a key goal of artificial intelligence. One challenge underlying this task is that visual scenes contain multiple inter-related objects, and that global context plays an important role in…

Machine Learning · Statistics 2018-11-05 Roei Herzig , Moshiko Raboh , Gal Chechik , Jonathan Berant , Amir Globerson

While representation learning has been central to the rise of machine learning and artificial intelligence, a key problem remains in making the learned representations meaningful. For this, the typical approach is to regularize the learned…

Machine Learning · Computer Science 2024-04-11 Dedi Wang , Yihang Wang , Luke Evans , Pratyush Tiwary

Generative flows are promising tractable models for density modeling that define probabilistic distributions with invertible transformations. However, tractability imposes architectural constraints on generative flows, making them less…

Machine Learning · Statistics 2020-07-23 Jianfei Chen , Cheng Lu , Biqi Chenli , Jun Zhu , Tian Tian

Normalizing flows are constructed from a base distribution with a known density and a diffeomorphism with a tractable Jacobian. The base density of a normalizing flow can be parameterised by a different normalizing flow, thus allowing maps…

Machine Learning · Computer Science 2022-11-07 Samuel Klein , John Andrew Raine , Tobias Golling

Despite their popularity, to date, the application of normalizing flows on categorical data stays limited. The current practice of using dequantization to map discrete data to a continuous space is inapplicable as categorical data has no…

Machine Learning · Computer Science 2021-01-22 Phillip Lippe , Efstratios Gavves

This paper introduces equivariant hamiltonian flows, a method for learning expressive densities that are invariant with respect to a known Lie-algebra of local symmetry transformations while providing an equivariant representation of the…

Machine Learning · Statistics 2019-10-01 Danilo Jimenez Rezende , Sébastien Racanière , Irina Higgins , Peter Toth

Humans navigate complex environments in an organized yet flexible manner, adapting to the context and implicit social rules. Understanding these naturally learned patterns of behavior is essential for applications such as autonomous…

Computer Vision and Pattern Recognition · Computer Science 2020-04-16 Robin Karlsson , Erik Sjoberg

The ability to predict multiple possible future positions of the ego-vehicle given the surrounding context while also estimating their probabilities is key to safe autonomous driving. Most of the current state-of-the-art Deep Learning…

Computer Vision and Pattern Recognition · Computer Science 2020-10-05 Thomas Kurbiel , Akash Sachdeva , Kun Zhao , Markus Buehren

We introduce conditional push-forward neural networks (CPFN), a generative framework for conditional distribution estimation. Instead of directly modeling the conditional density $f_{Y|X}$, CPFN learns a stochastic map…

Machine Learning · Computer Science 2025-12-23 Nicola Rares Franco , Lorenzo Tedesco

Image reconstruction from computed tomography (CT) measurement is a challenging statistical inverse problem since a high-dimensional conditional distribution needs to be estimated. Based on training data obtained from high-quality…

Image and Video Processing · Electrical Eng. & Systems 2020-06-12 Alexander Denker , Maximilian Schmidt , Johannes Leuschner , Peter Maass , Jens Behrmann

We explore the methodology and theory of reward-directed generation via conditional diffusion models. Directed generation aims to generate samples with desired properties as measured by a reward function, which has broad applications in…

Machine Learning · Computer Science 2023-07-17 Hui Yuan , Kaixuan Huang , Chengzhuo Ni , Minshuo Chen , Mengdi Wang

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

Standard meta-learning for representation learning aims to find a common representation to be shared across multiple tasks. The effectiveness of these methods is often limited when the nuances of the tasks' distribution cannot be captured…

Machine Learning · Computer Science 2021-03-31 Giulia Denevi , Massimiliano Pontil , Carlo Ciliberto

Fueled by the expressive power of deep neural networks, normalizing flows have achieved spectacular success in generative modeling, or learning to draw new samples from a distribution given a finite dataset of training samples. Normalizing…

Machine Learning · Computer Science 2023-05-05 Yuehaw Khoo , Michael Lindsey , Hongli Zhao

Flows are exact-likelihood generative neural networks that transform samples from a simple prior distribution to the samples of the probability distribution of interest. Boltzmann Generators (BG) combine flows and statistical mechanics to…

Machine Learning · Statistics 2019-10-03 Jonas Köhler , Leon Klein , Frank Noé

In recent years, diffusion models have gained popularity for their ability to generate higher-quality images in comparison to GAN models. However, like any other large generative models, these models require a huge amount of data,…

Computer Vision and Pattern Recognition · Computer Science 2023-12-21 Rajesh Shrestha , Bowen Xie

Building on recent advances in scientific machine learning and generative modeling for computational fluid dynamics, we propose a conditional score-based diffusion model designed for multi-scenarios fluid flow prediction. Our model…

Machine Learning · Computer Science 2025-06-02 Wilfried Genuist , Éric Savin , Filippo Gatti , Didier Clouteau

The ability to predict the future trajectories of traffic participants is crucial for the safe and efficient operation of autonomous vehicles. In this paper, a diffusion-based generative model for multi-agent trajectory prediction is…

Computer Vision and Pattern Recognition · Computer Science 2024-03-19 Theodor Westny , Björn Olofsson , Erik Frisk

We develop a generic mechanism for generating vehicle-type specific sequences of waypoints from a probabilistic foundation model of driving behavior. Many foundation behavior models are trained on data that does not include vehicle…

Artificial Intelligence · Computer Science 2023-05-22 Yunpeng Liu , Jonathan Wilder Lavington , Adam Scibior , Frank Wood
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