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Here we propose the Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE) method, a new iterative scheme that uses the deep learning framework of variational autoencoders to enhance sampling in molecular simulations. RAVE…

化学物理 · 物理学 2018-02-13 Joao Marcelo Lamim Ribeiro , Pablo Bravo Collado , Yihang Wang , Pratyush Tiwary

One way to improve the estimation of time varying channels is to incorporate knowledge of previous observations. In this context, Dynamical VAEs (DVAEs) build a promising deep learning (DL) framework which is well suited to learn the…

信号处理 · 电气工程与系统科学 2022-11-04 Benedikt Böck , Michael Baur , Valentina Rizzello , Wolfgang Utschick

Often the analysis of time-dependent chemical and biophysical systems produces high-dimensional time-series data for which it can be difficult to interpret which individual features are most salient. While recent work from our group and…

Iterative reweighted algorithms, as a class of algorithms for sparse signal recovery, have been found to have better performance than their non-reweighted counterparts. However, for solving the problem of multiple measurement vectors…

机器学习 · 统计学 2011-04-29 Zhilin Zhang , Bhaskar D. Rao

Machine learning (ML) holds great potential for accurately forecasting treatment outcomes over time, which could ultimately enable the adoption of more individualized treatment strategies in many practical applications. However, a…

机器学习 · 统计学 2023-06-08 Toon Vanderschueren , Alicia Curth , Wouter Verbeke , Mihaela van der Schaar

Systems governed by partial differential equations (PDEs) require computationally intensive numerical solvers to predict spatiotemporal field evolution. While machine learning (ML) surrogates offer faster solutions, autoregressive inference…

机器学习 · 计算机科学 2025-07-08 Ishan Khurjekar , Indrashish Saha , Lori Graham-Brady , Somdatta Goswami

By integrating dynamics models into model-free reinforcement learning (RL) methods, model-based value expansion (MVE) algorithms have shown a significant advantage in sample efficiency as well as value estimation. However, these methods…

机器学习 · 计算机科学 2019-12-12 Bo Zhou , Hongsheng Zeng , Fan Wang , Yunxiang Li , Hao Tian

The variational auto-encoder (VAE) is a deep latent variable model that has two neural networks in an autoencoder-like architecture; one of them parameterizes the model's likelihood. Fitting its parameters via maximum likelihood (ML) is…

机器学习 · 计算机科学 2021-06-03 Francisco J. R. Ruiz , Michalis K. Titsias , Taylan Cemgil , Arnaud Doucet

Boltzmann machines are powerful distributions that have been shown to be an effective prior over binary latent variables in variational autoencoders (VAEs). However, previous methods for training discrete VAEs have used the evidence lower…

机器学习 · 统计学 2018-10-17 Arash Vahdat , Evgeny Andriyash , William G. Macready

Robustness and security of machine learning (ML) systems are intertwined, wherein a non-robust ML system (classifiers, regressors, etc.) can be subject to attacks using a wide variety of exploits. With the advent of scalable deep learning…

机器学习 · 计算机科学 2017-11-09 Antonia Creswell , Anil A. Bharath , Biswa Sengupta

The variational autoencoder (VAE; Kingma, Welling (2014)) is a recently proposed generative model pairing a top-down generative network with a bottom-up recognition network which approximates posterior inference. It typically makes strong…

机器学习 · 计算机科学 2016-11-08 Yuri Burda , Roger Grosse , Ruslan Salakhutdinov

This paper introduces the Descriptive Variational Autoencoder (DVAE), an unsupervised and end-to-end trainable neural network for predicting vehicle trajectories that provides partial interpretability. The novel approach is based on the…

机器学习 · 计算机科学 2021-06-25 Marion Neumeier , Andreas Tollkühn , Thomas Berberich , Michael Botsch

Recently, variational autoencoder (VAE), a deep representation learning (DRL) model, has been used to perform speech enhancement (SE). However, to the best of our knowledge, current VAE-based SE methods only apply VAE to the model speech…

音频与语音处理 · 电气工程与系统科学 2022-01-25 Yang Xiang , Jesper Lisby Højvang , Morten Højfeldt Rasmussen , Mads Græsbøll Christensen

We propose a Weighted Autoregressive Varying gatE (WAVE) attention mechanism equipped with both Autoregressive (AR) and Moving-average (MA) components. It can adapt to various attention mechanisms, enhancing and decoupling their ability to…

机器学习 · 计算机科学 2026-02-06 Jiecheng Lu , Xu Han , Yan Sun , Shihao Yang

Deep latent variable models have become a popular model choice due to the scalable learning algorithms introduced by (Kingma & Welling, 2013; Rezende et al., 2014). These approaches maximize a variational lower bound on the intractable log…

机器学习 · 计算机科学 2018-11-20 George Tucker , Dieterich Lawson , Shixiang Gu , Chris J. Maddison

Single-cell perturbation prediction aims to infer how cells respond to unseen interventions and to achieve out-of-distribution (OOD) generalization, providing a computational route to understanding how perturbations reshape cellular…

机器学习 · 计算机科学 2026-05-26 Wenkang Jiang , Yuhang Liu , Erdun Gao , Ehsan Abbasnejad , Lina Yao , Javen Qinfeng Shi

Variational autoencoders (VAEs) have been used extensively to discover low-dimensional latent factors governing neural activity and animal behavior. However, without careful model selection, the uncovered latent factors may reflect noise in…

机器学习 · 计算机科学 2023-12-13 Julia Huiming Wang , Dexter Tsin , Tatiana Engel

Federated learning has received significant attention as a potential solution for distributing machine learning (ML) model training through edge networks. This work addresses an important consideration of federated learning at the network…

机器学习 · 计算机科学 2020-08-24 Frank Po-Chen Lin , Christopher G. Brinton , Nicolò Michelusi

Machine learning (ML) tools such as encoder-decoder deep convolutional neural networks (CNN) are able to extract relationships between inputs and outputs of large complex systems directly from raw data. For time-varying systems the…

加速器物理 · 物理学 2021-03-25 Alexander Scheinker , Frederick Cropp , Sergio Paiagua , Daniele Filippetto

Speech dereverberation aims to alleviate the negative impact of late reverberant reflections. The weighted prediction error (WPE) method is a well-established technique known for its superior performance in dereverberation. However, in…

音频与语音处理 · 电气工程与系统科学 2023-12-07 Ziye Yang , Mengfei Zhang , Jie Chen
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