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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

Variational autoencoders (VAEs) are powerful tools for learning latent representations of data used in a wide range of applications. In practice, VAEs usually require multiple training rounds to choose the amount of information the latent…

机器学习 · 计算机科学 2023-08-21 Juhan Bae , Michael R. Zhang , Michael Ruan , Eric Wang , So Hasegawa , Jimmy Ba , Roger Grosse

Understanding the structure of complex, nonstationary, high-dimensional time-evolving signals is a central challenge in scientific data analysis. In many domains, such as speech and biomedical signal processing, the ability to learn…

机器学习 · 计算机科学 2026-01-13 Ioannis Ziogas , Aamna Al Shehhi , Ahsan H. Khandoker , Leontios J. Hadjileontiadis

In recent years, the field of machine learning has made phenomenal progress in the pursuit of simulating real-world data generation processes. One notable example of such success is the variational autoencoder (VAE). In this work, with a…

机器学习 · 统计学 2021-12-30 Hwan Goh , Sheroze Sheriffdeen , Jonathan Wittmer , Tan Bui-Thanh

The growing demand for robots to operate effectively in diverse environments necessitates the need for robust real-time anomaly detection techniques during robotic operations. However, deep learning-based models in robotics face significant…

机器人学 · 计算机科学 2025-06-24 Taewook Kang , Bum-Jae You , Juyoun Park , Yisoo Lee

Geostationary hyperspectral satellites generate terabytes of data daily, creating critical challenges for storage, transmission, and distribution to the scientific community. We present a variational autoencoder (VAE) approach that achieves…

机器学习 · 计算机科学 2025-11-25 Core Francisco Park , Manuel Perez-Carrasco , Caroline Nowlan , Cecilia Garraffo

Predicting the behavior of complex systems is critical in many scientific and engineering domains, and hinges on the model's ability to capture their underlying dynamics. Existing methods encode the intrinsic dynamics of high-dimensional…

计算工程、金融与科学 · 计算机科学 2025-11-18 Jingwen Cheng , Ruikun Li , Huandong Wang , Yong Li

Variational autoencoders (VAEs) employ Bayesian inference to interpret sensory inputs, mirroring processes that occur in primate vision across both ventral (Higgins et al., 2021) and dorsal (Vafaii et al., 2023) pathways. Despite their…

机器学习 · 计算机科学 2024-12-10 Hadi Vafaii , Dekel Galor , Jacob L. Yates

Multivariate Time Series forecasting has been an increasingly popular topic in various applications and scenarios. Recently, contrastive learning and Transformer-based models have achieved good performance in many long-term series…

机器学习 · 计算机科学 2023-01-24 Zhe Li , Zhongwen Rao , Lujia Pan , Pengyun Wang , Zenglin Xu

Nowadays, multi-sensor technologies are applied in many fields, e.g., Health Care (HC), Human Activity Recognition (HAR), and Industrial Control System (ICS). These sensors can generate a substantial amount of multivariate time-series data.…

人工智能 · 计算机科学 2021-08-03 Yuxin Zhang , Yiqiang Chen , Jindong Wang , Zhiwen Pan

Turbulence is characterised by chaotic dynamics and a high-dimensional state space, which make this phenomenon challenging to predict. However, turbulent flows are often characterised by coherent spatiotemporal structures, such as vortices…

流体动力学 · 物理学 2023-06-21 Nguyen Anh Khoa Doan , Alberto Racca , Luca Magri

Generative modeling offers a promising solution to data scarcity and privacy challenges in time series analysis. However, the structural complexity of time series, characterized by multi-scale temporal patterns and heterogeneous components,…

机器学习 · 计算机科学 2026-01-19 Xiangyu Xu , Qingsong Zhong , Jilin Hu

Simultaneous recordings from thousands of neurons across multiple brain areas reveal rich mixtures of activity that are shared between regions and dynamics that are unique to each region. Existing alignment or multi-view methods neglect…

A time-delay embedding (TDE), grounded in the framework of Takens's Theorem, provides a mechanism to represent and analyze the inherent dynamics of time-series data. Recently, topological data analysis (TDA) methods have been applied to…

统计方法学 · 统计学 2024-10-18 Sixtus Dakurah , Jessi Cisewski-Kehe

We propose an approach to symbolic regression based on a novel variational autoencoder for generating hierarchical structures, HVAE. It combines simple atomic units with shared weights to recursively encode and decode the individual nodes…

机器学习 · 计算机科学 2023-09-12 Sebastian Mežnar , Sašo Džeroski , Ljupčo Todorovski

Deep generative models are stochastic neural networks capable of learning the distribution of data so as to generate new samples. Conditional Variational Autoencoder (CVAE) is a powerful deep generative model aiming at maximizing the lower…

计算机视觉与模式识别 · 计算机科学 2019-03-12 Shima Kamyab , Rasool Sabzi , Zohreh Azimifar

Self-supervised disentangled representation learning is a critical task in sequence modeling. The learnt representations contribute to better model interpretability as well as the data generation, and improve the sample efficiency for…

机器学习 · 计算机科学 2021-10-26 Junwen Bai , Weiran Wang , Carla Gomes

This study presents a novel approach to quantifying uncertainties in Bayesian model updating, which is effective in sparse or single observations. Conventional uncertainty quantification metrics such as the Euclidean and Bhattacharyya…

应用统计 · 统计学 2024-10-14 Sangwon Lee , Taro Yaoyama , Yuma Matsumoto , Takenori Hida , Tatsuya Itoi

Normalizing flows, autoregressive models, variational autoencoders (VAEs), and deep energy-based models are among competing likelihood-based frameworks for deep generative learning. Among them, VAEs have the advantage of fast and tractable…

机器学习 · 统计学 2021-01-11 Arash Vahdat , Jan Kautz

Variational autoencoder (VAE) estimates the posterior parameters (mean and variance) of latent variables corresponding to each input data. While it is used for many tasks, the transparency of the model is still an underlying issue. This…

机器学习 · 统计学 2023-02-23 Akira Nakagawa , Keizo Kato , Taiji Suzuki