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The problem of accelerating drug discovery relies heavily on automatic tools to optimize precursor molecules to afford them with better biochemical properties. Our work in this paper substantially extends prior state-of-the-art on…

Chemical Physics · Physics 2019-10-22 Wengong Jin , Regina Barzilay , Tommi Jaakkola

A main challenge in mining network-based data is finding effective ways to represent or encode graph structures so that it can be efficiently exploited by machine learning algorithms. Several methods have focused in network representation…

Social and Information Networks · Computer Science 2019-03-18 Leonardo Gutiérrez-Gómez , Jean-Charles Delvenne

Graph-based clustering plays an important role in the clustering area. Recent studies about graph convolution neural networks have achieved impressive success on graph type data. However, in general clustering tasks, the graph structure of…

Machine Learning · Computer Science 2024-04-23 Xuelong Li , Hongyuan Zhang , Rui Zhang

The human ability to synchronize the feedback from all their senses inspired recent works in multi-task and multi-modal learning. While these works rely on expensive supervision, our multi-task graph requires only pseudo-labels from expert…

Machine Learning · Computer Science 2021-11-05 Emanuela Haller , Elena Burceanu , Marius Leordeanu

Graph convolutional networks have been successful in addressing graph-based tasks such as semi-supervised node classification. Existing methods use a network structure defined by the user based on experimentation with fixed number of layers…

Machine Learning · Computer Science 2021-01-21 Negar Heidari , Alexandros Iosifidis

Hypergraphs play a pivotal role in the modelling of data featuring higher-order relations involving more than two entities. Hypergraph neural networks emerge as a powerful tool for processing hypergraph-structured data, delivering…

Machine Learning · Computer Science 2024-06-04 Zexi Liu , Bohan Tang , Ziyuan Ye , Xiaowen Dong , Siheng Chen , Yanfeng Wang

We introduce a novel masked graph autoencoder (MGAE) framework to perform effective learning on graph structure data. Taking insights from self-supervised learning, we randomly mask a large proportion of edges and try to reconstruct these…

Machine Learning · Computer Science 2022-01-10 Qiaoyu Tan , Ninghao Liu , Xiao Huang , Rui Chen , Soo-Hyun Choi , Xia Hu

Generalized from image and language translation, graph translation aims to generate a graph in the target domain by conditioning an input graph in the source domain. This promising topic has attracted fast-increasing attention recently.…

Unsupervised image translation aims to learn the transformation from a source domain to another target domain given unpaired training data. Several state-of-the-art works have yielded impressive results in the GANs-based unsupervised…

Computer Vision and Pattern Recognition · Computer Science 2020-04-21 Taewon Kang , Kwang Hee Lee

Unsupervised graph representation learning aims to distill various graph information into a downstream task-agnostic dense vector embedding. However, existing graph representation learning approaches are designed mainly under the node…

Machine Learning · Computer Science 2022-03-04 You Li , Bei Lin , Binli Luo , Ning Gui

Deep neural networks need a big amount of training data, while in the real world there is a scarcity of data available for training purposes. To resolve this issue unsupervised methods are used for training with limited data. In this…

Computer Vision and Pattern Recognition · Computer Science 2022-02-10 Sayed Hashim , Muhammad Ali

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

Recent implicit neural rendering methods have demonstrated that it is possible to learn accurate view synthesis for complex scenes by predicting their volumetric density and color supervised solely by a set of RGB images. However, existing…

Computer Vision and Pattern Recognition · Computer Science 2021-03-08 Julian Ost , Fahim Mannan , Nils Thuerey , Julian Knodt , Felix Heide

We propose a general framework for unsupervised domain adaptation, which allows deep neural networks trained on a source domain to be tested on a different target domain without requiring any training annotations in the target domain. This…

Computer Vision and Pattern Recognition · Computer Science 2017-12-05 Zak Murez , Soheil Kolouri , David Kriegman , Ravi Ramamoorthi , Kyungnam Kim

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…

Social and Information Networks · Computer Science 2018-04-11 William L. Hamilton , Rex Ying , Jure Leskovec

We present a method for learning multiple scene representations given a small labeled set, by exploiting the relationships between such representations in the form of a multi-task hypergraph. We also show how we can use the hypergraph to…

Computer Vision and Pattern Recognition · Computer Science 2023-08-22 Alina Marcu , Mihai Pirvu , Dragos Costea , Emanuela Haller , Emil Slusanschi , Ahmed Nabil Belbachir , Rahul Sukthankar , Marius Leordeanu

We present a simple and effective approach to incorporating syntactic structure into neural attention-based encoder-decoder models for machine translation. We rely on graph-convolutional networks (GCNs), a recent class of neural networks…

Computation and Language · Computer Science 2020-06-22 Jasmijn Bastings , Ivan Titov , Wilker Aziz , Diego Marcheggiani , Khalil Sima'an

Human-curated knowledge graphs provide critical supportive information to various natural language processing tasks, but these graphs are usually incomplete, urging auto-completion of them. Prevalent graph embedding approaches, e.g.,…

Computation and Language · Computer Science 2021-02-25 Bo Wang , Tao Shen , Guodong Long , Tianyi Zhou , Yi Chang

Representing a graph as a vector is a challenging task; ideally, the representation should be easily computable and conducive to efficient comparisons among graphs, tailored to the particular data and analytical task at hand. Unfortunately,…

Social and Information Networks · Computer Science 2018-11-16 Anton Tsitsulin , Davide Mottin , Panagiotis Karras , Alex Bronstein , Emmanuel Müller

Graph, as an important data representation, is ubiquitous in many real world applications ranging from social network analysis to biology. How to correctly and effectively learn and extract information from graph is essential for a large…

Machine Learning · Computer Science 2020-10-27 Xiaodong Jiang , Ronghang Zhu , Pengsheng Ji , Sheng Li