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Energy-based models (EBMs) are generative models inspired by statistical physics with a wide range of applications in unsupervised learning. Their performance is best measured by the cross-entropy (CE) of the model distribution relative to…

Machine Learning · Computer Science 2023-12-14 Davide Carbone , Mengjian Hua , Simon Coste , Eric Vanden-Eijnden

Energy-based models (EBMs) have experienced a resurgence within machine learning in recent years, including as a promising alternative for probabilistic regression. However, energy-based regression requires a proposal distribution to be…

Machine Learning · Computer Science 2023-11-08 Fredrik K. Gustafsson , Martin Danelljan , Thomas B. Schön

Multimodal generative models are crucial for various applications. We propose an approach that combines an expressive energy-based model (EBM) prior with Markov Chain Monte Carlo (MCMC) inference in the latent space for multimodal…

Machine Learning · Computer Science 2024-08-21 Shiyu Yuan , Carlo Lipizzi , Tian Han

We propose a simple algorithm to train stochastic neural networks to draw samples from given target distributions for probabilistic inference. Our method is based on iteratively adjusting the neural network parameters so that the output…

Machine Learning · Statistics 2016-11-29 Dilin Wang , Qiang Liu

We introduce the concept of a Modular Autoencoder (MAE), capable of learning a set of diverse but complementary representations from unlabelled data, that can later be used for supervised tasks. The learning of the representations is…

Machine Learning · Computer Science 2015-11-24 Henry W J Reeve , Gavin Brown

Conformational sampling of biomolecules using molecular dynamics simulations often produces large amount of high dimensional data that makes it difficult to interpret using conventional analysis techniques. Dimensionality reduction methods…

Biomolecules · Quantitative Biology 2021-12-08 Mahdi Ghorbani , Samarjeet Prasad , Jeffery B. Klauda , Bernard R. Brooks

Variational autoencoders (VAE) represent a popular, flexible form of deep generative model that can be stochastically fit to samples from a given random process using an information-theoretic variational bound on the true underlying…

Machine Learning · Computer Science 2019-10-08 Bin Dai , Yu Wang , John Aston , Gang Hua , David Wipf

Free energy biasing methods have proven to be powerful tools to accelerate the simulation of important conformational changes of molecules by modifying the sampling measure. However, most of these methods rely on the prior knowledge of…

Biological Physics · Physics 2021-10-20 Zineb Belkacemi , Paraskevi Gkeka , Tony Lelièvre , Gabriel Stoltz

We study a new approach to learning energy-based models (EBMs) based on adversarial training (AT). We show that (binary) AT learns a special kind of energy function that models the support of the data distribution, and the learning process…

Machine Learning · Computer Science 2022-12-29 Xuwang Yin , Shiying Li , Gustavo K. Rohde

Variational autoencoders (VAEs) are latent variable models that can generate complex objects and provide meaningful latent representations. Moreover, they could be further used in downstream tasks such as classification. As previous work…

Machine Learning · Computer Science 2022-10-13 Anna Kuzina , Max Welling , Jakub M. Tomczak

Discrete structures play an important role in applications like program language modeling and software engineering. Current approaches to predicting complex structures typically consider autoregressive models for their tractability, with…

Machine Learning · Computer Science 2020-11-12 Hanjun Dai , Rishabh Singh , Bo Dai , Charles Sutton , Dale Schuurmans

Deep metric learning has been demonstrated to be highly effective in learning semantic representation and encoding information that can be used to measure data similarity, by relying on the embedding learned from metric learning. At the…

Machine Learning · Statistics 2023-02-09 Haque Ishfaq , Assaf Hoogi , Daniel Rubin

One of the challenges in training generative models such as the variational auto encoder (VAE) is avoiding posterior collapse. When the generator has too much capacity, it is prone to ignoring latent code. This problem is exacerbated when…

Machine Learning · Computer Science 2019-10-30 Talip Ucar

Variational autoencoders (VAEs) are a popular framework for modeling complex data distributions; they can be efficiently trained via variational inference by maximizing the evidence lower bound (ELBO), at the expense of a gap to the exact…

We view variational autoencoders (VAE) as decoder-encoder pairs, which map distributions in the data space to distributions in the latent space and vice versa. The standard learning approach for VAEs is the maximisation of the evidence…

Machine Learning · Computer Science 2024-03-13 Boris Flach , Dmitrij Schlesinger , Alexander Shekhovtsov

Variational autoencoders (VAE) are powerful generative models that learn the latent representations of input data as random variables. Recent studies show that VAE can flexibly learn the complex temporal dynamics of time series and achieve…

Machine Learning · Computer Science 2023-11-14 Borui Cai , Shuiqiao Yang , Longxiang Gao , Yong Xiang

This study investigates the effects of Markov chain Monte Carlo (MCMC) sampling in unsupervised Maximum Likelihood (ML) learning. Our attention is restricted to the family of unnormalized probability densities for which the negative log…

Machine Learning · Statistics 2019-12-02 Erik Nijkamp , Mitch Hill , Tian Han , Song-Chun Zhu , Ying Nian Wu

Self-learning Monte Carlo (SLMC) methods are recently proposed to accelerate Markov chain Monte Carlo (MCMC) methods using a machine learning model. With latent generative models, SLMC methods realize efficient Monte Carlo updates with less…

Machine Learning · Statistics 2023-09-21 Yuma Ichikawa , Akira Nakagawa , Hiromoto Masayuki , Yuhei Umeda

Energy-based models (EBM) have become increasingly popular within computer vision. EBMs bring a probabilistic approach to training deep neural networks (DNN) and have been shown to enhance performance in areas such as calibration,…

Machine Learning · Computer Science 2023-04-05 Jacob Piland , Christopher Sweet , Priscila Saboia , Charles Vardeman , Adam Czajka

Variational auto-encoders (VAEs) are a popular and powerful deep generative model. Previous works on VAEs have assumed a factorized likelihood model, whereby the output uncertainty of each pixel is assumed to be independent. This…

Machine Learning · Statistics 2026-05-14 Gara Dorta , Sara Vicente , Lourdes Agapito , Neill D. F. Campbell , Ivor Simpson