中文
相关论文

相关论文: Continuous Representation of Molecules Using Graph…

200 篇论文

Variational autoencoders (VAEs) are widely used deep generative models capable of learning unsupervised latent representations of data. Such representations are often difficult to interpret or control. We consider the problem of…

机器学习 · 计算机科学 2018-12-18 Jack Klys , Jake Snell , Richard Zemel

The variational autoencoder (VAE) is a generative model with continuous latent variables where a pair of probabilistic encoder (bottom-up) and decoder (top-down) is jointly learned by stochastic gradient variational Bayes. We first…

机器学习 · 统计学 2016-04-19 Suwon Suh , Seungjin Choi

Learning interpretable representations of data remains a central challenge in deep learning. When training a deep generative model, the observed data are often associated with certain categorical labels, and, in parallel with learning to…

机器学习 · 计算机科学 2019-10-01 Yifan Xue , Michael Ding , Xinghua Lu

Neural networks are used for channel decoding, channel detection, channel evaluation, and resource management in multi-input and multi-output (MIMO) wireless communication systems. In this paper, we consider the problem of finding precoding…

信号处理 · 电气工程与系统科学 2022-05-06 Evgeny Bobrov , Alexander Markov , Sviatoslav Panchenko , Dmitry Vetrov

Variational autoencoders (VAEs) are powerful deep generative models widely used to represent high-dimensional complex data through a low-dimensional latent space learned in an unsupervised manner. In the original VAE model, the input data…

机器学习 · 计算机科学 2022-07-05 Laurent Girin , Simon Leglaive , Xiaoyu Bie , Julien Diard , Thomas Hueber , Xavier Alameda-Pineda

Designing molecules with specific properties is a long-lasting research problem and is central to advancing crucial domains such as drug discovery and material science. Recent advances in deep graph generative models treat molecule design…

机器学习 · 计算机科学 2022-03-02 Yuanqi Du , Xiaojie Guo , Amarda Shehu , Liang Zhao

Molecular generative models often assume meaningful latent geometry, but apparent property predictability can reflect sequence-level shortcuts rather than chemical organization. We study this issue in an unsupervised autoregressive…

机器学习 · 计算机科学 2026-05-08 Zakaria Elabid , Jan Andrzejewski , Bartosz Brzoza , Attila Cangi

Variational autoencoders (VAEs) are fundamental for generative modeling and image reconstruction, yet their performance often struggles to maintain high fidelity in reconstructions. This study introduces a hybrid model, quantum variational…

计算机视觉与模式识别 · 计算机科学 2025-03-10 Farina Riaz , Fakhar Zaman , Hajime Suzuki , Sharif Abuadbba , David Nguyen

In this paper we propose a model that combines the strengths of RNNs and SGVB: the Variational Recurrent Auto-Encoder (VRAE). Such a model can be used for efficient, large scale unsupervised learning on time series data, mapping the time…

机器学习 · 统计学 2015-06-16 Otto Fabius , Joost R. van Amersfoort

We introduce the vine copula autoencoder (VCAE), a flexible generative model for high-dimensional distributions built in a straightforward three-step procedure. First, an autoencoder (AE) compresses the data into a lower dimensional…

机器学习 · 统计学 2019-11-28 Natasa Tagasovska , Damien Ackerer , Thibault Vatter

Recent state-of-the-art autoencoder based generative models have an encoder-decoder structure and learn a latent representation with a pre-defined distribution that can be sampled from. Implementing the encoder networks of these models in a…

机器学习 · 计算机科学 2020-05-11 D. T. Braithwaite , M. O'Connor , W. B. Kleijn

Diffusion models have established themselves as state-of-the-art generative models across various data modalities, including images and videos, due to their ability to accurately approximate complex data distributions. Unlike traditional…

机器学习 · 计算机科学 2025-10-23 Daniel Wesego

Unifying multimodal understanding, generation and reconstruction representation in a single tokenizer remains a key challenge in building unified models. Previous research predominantly attempts to address this in a dual encoder paradigm,…

计算机视觉与模式识别 · 计算机科学 2025-12-01 Sinan Du , Jiahao Guo , Bo Li , Shuhao Cui , Zhengzhuo Xu , Yifu Luo , Yongxian Wei , Kun Gai , Xinggang Wang , Kai Wu , Chun Yuan

Variational Auto-Encoder (VAE) has been widely adopted in text generation. Among many variants, recurrent VAE learns token-wise latent variables with each conditioned on the preceding ones, which captures sequential variability better in…

计算与语言 · 计算机科学 2022-11-24 Jinyi Hu , Xiaoyuan Yi , Wenhao Li , Maosong Sun , Xing Xie

The variational auto-encoder (VAE) is a popular method for learning a generative model and embeddings of the data. Many real datasets are hierarchically structured. However, traditional VAEs map data in a Euclidean latent space which cannot…

机器学习 · 统计学 2019-11-27 Emile Mathieu , Charline Le Lan , Chris J. Maddison , Ryota Tomioka , Yee Whye Teh

Graph autoencoders (AE) and variational autoencoders (VAE) recently emerged as powerful node embedding methods. In particular, graph AE and VAE were successfully leveraged to tackle the challenging link prediction problem, aiming at…

机器学习 · 计算机科学 2022-06-07 Guillaume Salha , Stratis Limnios , Romain Hennequin , Viet Anh Tran , Michalis Vazirgiannis

Deep generative models have demonstrated successful applications in learning non-linear data distributions through a number of latent variables and these models use a nonlinear function (generator) to map latent samples into the data space.…

计算机视觉与模式识别 · 计算机科学 2023-04-04 Pourya Shamsolmoali , Masoumeh Zareapoor , Huiyu Zhou , Dacheng Tao , Xuelong Li

Latent representations of drugs and their targets produced by contemporary graph autoencoder-based models have proved useful in predicting many types of node-pair interactions on large networks, including drug-drug, drug-target, and…

生物大分子 · 定量生物学 2022-11-01 Nhat Khang Ngo , Truong Son Hy , Risi Kondor

Graph clustering, aiming to partition nodes of a graph into various groups via an unsupervised approach, is an attractive topic in recent years. To improve the representative ability, several graph auto-encoder (GAE) models, which are based…

机器学习 · 计算机科学 2021-03-16 Hongyuan Zhang , Rui Zhang , Xuelong Li

Aerosol-cloud--radiation interactions remain among the most uncertain components of the Earth's climate system, in partdue to the high dimensionality of aerosol state representations and the difficulty of obtaining complete \textit{in situ}…

大气与海洋物理 · 物理学 2025-10-14 Ehsan Saleh , Saba Ghaffari , Jeffrey H. Curtis , Lekha Patel , Peter A. Bosler , Nicole Riemer , Matthew West