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The de novo generation of molecules with desirable properties is a critical challenge, where diffusion models are computationally intensive and autoregressive models struggle with error propagation. In this work, we introduce the Graph…

Machine Learning · Computer Science 2025-12-03 Haozhuo Zheng , Cheng Wang , Yang Liu

Graph neural networks (GNNs) achieve remarkable performance for tasks on graph data. However, recent works show they are extremely vulnerable to adversarial structural perturbations, making their outcomes unreliable. In this paper, we…

Machine Learning · Computer Science 2020-06-17 Ao Zhang , Jinwen Ma

Disentangled representation learning aims to represent the underlying generative factors of a dataset in a latent representation independently of one another. In our work, we propose a discrete variational autoencoder (VAE) based model…

Computer Vision and Pattern Recognition · Computer Science 2025-11-06 Gulcin Baykal , Melih Kandemir , Gozde Unal

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…

Machine Learning · Statistics 2015-06-16 Otto Fabius , Joost R. van Amersfoort

Variational Autoencoders (VAEs) are well-established as a principled approach to probabilistic unsupervised learning with neural networks. Typically, an encoder network defines the parameters of a Gaussian distributed latent space from…

Machine Learning · Computer Science 2025-05-16 Alan Jeffares , Liyuan Liu

Multimodal recommender systems amalgamate multimodal information (e.g., textual descriptions, images) into a collaborative filtering framework to provide more accurate recommendations. While the incorporation of multimodal information could…

Information Retrieval · Computer Science 2024-02-27 Xin Zhou , Chunyan Miao

We propose an algorithm, guided variational autoencoder (Guided-VAE), that is able to learn a controllable generative model by performing latent representation disentanglement learning. The learning objective is achieved by providing…

Computer Vision and Pattern Recognition · Computer Science 2020-04-06 Zheng Ding , Yifan Xu , Weijian Xu , Gaurav Parmar , Yang Yang , Max Welling , Zhuowen Tu

Classical graph modeling approaches such as Erd\H{o}s R\'{e}nyi (ER) random graphs or Barab\'asi-Albert (BA) graphs, here referred to as stylized models, aim to reproduce properties of real-world graphs in an interpretable way. While…

Social and Information Networks · Computer Science 2021-05-05 Cristina Guzman , Daphna Keidar , Tristan Meynier , Andreas Opedal , Niklas Stoehr

Periodic graphs are graphs consisting of repetitive local structures, such as crystal nets and polygon mesh. Their generative modeling has great potential in real-world applications such as material design and graphics synthesis. Classical…

Machine Learning · Computer Science 2022-10-07 Shiyu Wang , Xiaojie Guo , Liang Zhao

Clustering using deep neural network models have been extensively studied in recent years. Among the most popular frameworks are the VAE and GAN frameworks, which learns latent feature representations of data through encoder / decoder…

Machine Learning · Computer Science 2021-05-14 Adam Lindhe , Carl Ringqvist , Henrik Hult

After deep generative models were successfully applied to image generation tasks, learning disentangled latent variables of data has become a crucial part of deep generative model research. Many models have been proposed to learn an…

Machine Learning · Computer Science 2019-07-08 Sangchul Hahn , Heeyoul Choi

Recent work on generative modeling of text has found that variational auto-encoders (VAE) incorporating LSTM decoders perform worse than simpler LSTM language models (Bowman et al., 2015). This negative result is so far poorly understood,…

Neural and Evolutionary Computing · Computer Science 2017-06-20 Zichao Yang , Zhiting Hu , Ruslan Salakhutdinov , Taylor Berg-Kirkpatrick

Deep learning on graphs has become a popular research topic with many applications. However, past work has concentrated on learning graph embedding tasks, which is in contrast with advances in generative models for images and text. Is it…

Machine Learning · Computer Science 2018-02-13 Martin Simonovsky , Nikos Komodakis

Variational Auto-Encoders (VAEs) are capable of learning latent representations for high dimensional data. However, due to the i.i.d. assumption, VAEs only optimize the singleton variational distributions and fail to account for the…

Machine Learning · Computer Science 2020-04-20 Da Tang , Dawen Liang , Tony Jebara , Nicholas Ruozzi

Graph neural networks have been used for a variety of learning tasks, such as link prediction, node classification, and node clustering. Among them, link prediction is a relatively under-studied graph learning task, with current…

Machine Learning · Computer Science 2022-08-29 Xinxing Wu , Qiang Cheng

The ability to extract generative parameters from high-dimensional fields of data in an unsupervised manner is a highly desirable yet unrealized goal in computational physics. This work explores the use of variational autoencoders (VAEs)…

Computational Physics · Physics 2021-11-16 Christian Jacobsen , Karthik Duraisamy

The Transformer architecture has recently gained considerable attention in the field of graph representation learning, as it naturally overcomes several limitations of Graph Neural Networks (GNNs) with customized attention mechanisms or…

Machine Learning · Computer Science 2025-04-01 Jianqing Liang , Min Chen , Jiye Liang

Deep learning is a hot research topic in the field of machine learning methods and applications. Generative Adversarial Networks (GANs) and Variational Auto-Encoders (VAEs) provide impressive image generations from Gaussian white noise, but…

Computer Vision and Pattern Recognition · Computer Science 2020-07-29 Jiasong Wu , Jing Zhang , Fuzhi Wu , Youyong Kong , Guanyu Yang , Lotfi Senhadji , Huazhong Shu

Accelerating deep neural networks (DNNs) has been attracting increasing attention as it can benefit a wide range of applications, e.g., enabling mobile systems with limited computing resources to own powerful visual recognition ability. A…

Computer Vision and Pattern Recognition · Computer Science 2017-12-21 Tianshui Chen , Liang Lin , Wangmeng Zuo , Xiaonan Luo , Lei Zhang

Prerequisite chain learning helps people acquire new knowledge efficiently. While people may quickly determine learning paths over concepts in a domain, finding such paths in other domains can be challenging. We introduce Domain-Adversarial…

Machine Learning · Computer Science 2021-11-02 Irene Li , Vanessa Yan , Dragomir Radev