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In this paper, we describe the "implicit autoencoder" (IAE), a generative autoencoder in which both the generative path and the recognition path are parametrized by implicit distributions. We use two generative adversarial networks to…

机器学习 · 计算机科学 2019-02-08 Alireza Makhzani

We present RL-VAE, a graph-to-graph variational autoencoder that uses reinforcement learning to decode molecular graphs from latent embeddings. Methods have been described previously for graph-to-graph autoencoding, but these approaches…

机器学习 · 计算机科学 2019-06-06 Steven Kearnes , Li Li , Patrick Riley

Graph is a natural representation of data for a variety of real-word applications, such as knowledge graph mining, social network analysis and biological network comparison. For these applications, graph embedding is crucial as it provides…

机器学习 · 计算机科学 2020-01-24 Bitan Hou , Yujing Wang , Ming Zeng , Shan Jiang , Ole J. Mengshoel , Yunhai Tong , Jing Bai

Variational autoencoders (VAEs) learn representations of data by jointly training a probabilistic encoder and decoder network. Typically these models encode all features of the data into a single variable. Here we are interested in learning…

Machine learning on graphs is an important and ubiquitous task with applications ranging from drug design to friendship recommendation in social networks. The primary challenge in this domain is finding a way to represent, or encode, graph…

社会与信息网络 · 计算机科学 2018-04-11 William L. Hamilton , Rex Ying , Jure Leskovec

Learning node representations that incorporate information from graph structure benefits wide range of tasks on graph. The majority of existing graph neural networks (GNNs) have limited power in capturing position information for a given…

机器学习 · 计算机科学 2021-06-15 Yuheng Lu , Jinpeng Chen , ChuXiong Sun , Jie Hu

Graph embedding provides an efficient solution for graph analysis by converting the graph into a low-dimensional space which preserves the structure information. In contrast to the graph structure data, the i.i.d. node embedding can be…

机器学习 · 计算机科学 2017-05-16 Hongyun Cai , Vincent W. Zheng , Kevin Chen-Chuan Chang

Dynamic graph representation learning is a task to learn node embeddings over dynamic networks, and has many important applications, including knowledge graphs, citation networks to social networks. Graphs of this type are usually…

社会与信息网络 · 计算机科学 2021-06-04 Xingzhi Guo , Baojian Zhou , Steven Skiena

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…

计算机视觉与模式识别 · 计算机科学 2020-04-06 Zheng Ding , Yifan Xu , Weijian Xu , Gaurav Parmar , Yang Yang , Max Welling , Zhuowen Tu

Several recent works use positional encodings to extend the receptive fields of graph neural network (GNN) layers equipped with attention mechanisms. These techniques, however, extend receptive fields to the complete graph, at substantial…

机器学习 · 计算机科学 2023-12-14 Rickard Brüel-Gabrielsson , Mikhail Yurochkin , Justin Solomon

Self-supervised learning has shown its promising capability in graph representation learning in recent work. Most existing pre-training strategies usually choose the popular Graph neural networks (GNNs), which can be seen as a special form…

机器学习 · 计算机科学 2023-06-16 Yilin Ding , Zhen Liu , Hao Hao

Tiered graph autoencoders provide the architecture and mechanisms for learning tiered latent representations and latent spaces for molecular graphs that explicitly represent and utilize groups (e.g., functional groups). This enables the…

机器学习 · 计算机科学 2021-07-02 Daniel T. Chang

Graph auto-encoders are widely used to construct graph representations in Euclidean vector spaces. However, it has already been pointed out empirically that linear models on many tasks can outperform graph auto-encoders. In our work, we…

机器学习 · 计算机科学 2023-12-01 Solveig Klepper , Ulrike von Luxburg

Methods that learn representations of nodes in a graph play a critical role in network analysis since they enable many downstream learning tasks. We propose Graph2Gauss - an approach that can efficiently learn versatile node embeddings on…

机器学习 · 统计学 2019-04-02 Aleksandar Bojchevski , Stephan Günnemann

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

机器学习 · 计算机科学 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

The computer vision domain has greatly benefited from an abundance of data across many modalities to improve on various visual tasks. Recently, there has been a lot of focus on self-supervised pre-training methods through Masked…

计算机视觉与模式识别 · 计算机科学 2025-11-26 Pîrvu Mihai-Cristian , Marius Leordeanu

Recent research efforts have shown the possibility to discover anticancer drug-like molecules in food from their effect on protein-protein interaction networks, opening a potential pathway to disease-beating diet design. We formulate this…

机器学习 · 计算机科学 2020-01-17 Guadalupe Gonzalez , Shunwang Gong , Ivan Laponogov , Kirill Veselkov , Michael Bronstein

Deep generative models have made tremendous advances in image and signal representation learning and generation. These models employ the full Euclidean space or a bounded subset as the latent space, whose flat geometry, however, is often…

机器学习 · 计算机科学 2020-08-17 Stefan Schonsheck , Jie Chen , Rongjie Lai

Graph representation learning is a fundamental research issue and benefits a wide range of applications on graph-structured data. Conventional artificial neural network-based methods such as graph neural networks (GNNs) and variational…

神经与进化计算 · 计算机科学 2022-11-04 Hanxuan Yang , Ruike Zhang , Qingchao Kong , Wenji Mao

The performance of graph representation learning is affected by the quality of graph input. While existing research usually pursues a globally smoothed graph embedding, we believe the rarely observed anomalies are as well harmful to an…

机器学习 · 计算机科学 2023-08-14 Bingxin Zhou , Yuanhong Jiang , Yu Guang Wang , Jingwei Liang , Junbin Gao , Shirui Pan , Xiaoqun Zhang