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Graph representation learning is a fundamental research issue in various domains of applications, of which the inductive learning problem is particularly challenging as it requires models to generalize to unseen graph structures during…

Machine Learning · Computer Science 2024-03-27 Hanxuan Yang , Zhaoxin Yu , Qingchao Kong , Wei Liu , Wenji Mao

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

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…

Machine Learning · Computer Science 2023-09-12 Sebastian Mežnar , Sašo Džeroski , Ljupčo Todorovski

Molecular optimization aims to discover novel molecules with desirable properties. Two fundamental challenges are: (i) it is not trivial to generate valid molecules in a controllable way due to hard chemical constraints such as the valency…

Machine Learning · Computer Science 2019-04-24 Hiroshi Kajino

Multimodal variational autoencoders have demonstrated their ability to learn the relationships between different modalities by mapping them into a latent representation. Their design and capacity to perform any-to-any conditional and…

Machine Learning · Computer Science 2025-02-04 Daniel Wesego , Pedram Rooshenas

Masked graph autoencoder (MGAE) has emerged as a promising self-supervised graph pre-training (SGP) paradigm due to its simplicity and effectiveness. However, existing efforts perform the mask-then-reconstruct operation in the raw data…

Machine Learning · Computer Science 2023-04-07 Wenxuan Tu , Qing Liao , Sihang Zhou , Xin Peng , Chuan Ma , Zhe Liu , Xinwang Liu , Zhiping Cai

Sensor fusion can significantly improve the performance of many computer vision tasks. However, traditional fusion approaches are either not data-driven and cannot exploit prior knowledge nor find regularities in a given dataset or they are…

Computer Vision and Pattern Recognition · Computer Science 2022-09-26 Fabian Duffhauss , Ngo Anh Vien , Hanna Ziesche , Gerhard Neumann

Learning generative models for graph-structured data is challenging because graphs are discrete, combinatorial, and the underlying data distribution is invariant to the ordering of nodes. However, most of the existing generative models for…

Machine Learning · Computer Science 2020-03-03 Chenhao Niu , Yang Song , Jiaming Song , Shengjia Zhao , Aditya Grover , Stefano Ermon

Extracting compact, physically interpretable representations from high-dimensional scientific data is a persistent challenge due to the complex, nonlinear structures inherent in physical systems. We propose a Gaussian Mixture Variational…

Machine Learning · Computer Science 2025-12-01 Tiffany Fan , Murray Cutforth , Marta D'Elia , Alexandre Cortiella , Alireza Doostan , Eric Darve

Many real-world problems require reasoning across multiple scales, demanding models which operate not on single data points, but on entire distributions. We introduce generative distribution embeddings (GDE), a framework that lifts…

Machine Learning · Computer Science 2026-02-23 Nic Fishman , Gokul Gowri , Peng Yin , Jonathan Gootenberg , Omar Abudayyeh

Graph autoencoders (AE) and variational autoencoders (VAE) are powerful node embedding methods, but suffer from scalability issues. In this paper, we introduce FastGAE, a general framework to scale graph AE and VAE to large graphs with…

Machine Learning · Computer Science 2021-04-14 Guillaume Salha , Romain Hennequin , Jean-Baptiste Remy , Manuel Moussallam , Michalis Vazirgiannis

Invertible transformation of large graphs into fixed dimensional vectors (embeddings) remains a challenge. Its overcoming would reduce any operation on graphs to an operation in a vector space. However, most existing methods are limited to…

Machine Learning · Computer Science 2022-07-12 Adam Małkowski , Jakub Grzechociński , Paweł Wawrzyński

We present a novel introspective variational autoencoder (IntroVAE) model for synthesizing high-resolution photographic images. IntroVAE is capable of self-evaluating the quality of its generated samples and improving itself accordingly.…

Machine Learning · Computer Science 2018-10-30 Huaibo Huang , Zhihang Li , Ran He , Zhenan Sun , Tieniu Tan

Learning disentangled and interpretable representations is an important step towards accomplishing comprehensive data representations on the manifold. In this paper, we propose a novel representation learning algorithm which combines the…

Machine Learning · Computer Science 2021-07-13 Fei Ye , Adrian G. Bors

We propose a MultiScale AutoEncoder(MSAE) based extreme image compression framework to offer visually pleasing reconstruction at a very low bitrate. Our method leverages the "priors" at different resolution scale to improve the compression…

Image and Video Processing · Electrical Eng. & Systems 2020-01-06 Chao Huang , Haojie Liu , Tong Chen , Qiu Shen , Zhan Ma

Self-supervised learning with masked autoencoders has recently gained popularity for its ability to produce effective image or textual representations, which can be applied to various downstream tasks without retraining. However, we observe…

Machine Learning · Computer Science 2023-08-21 Yucheng Shi , Yushun Dong , Qiaoyu Tan , Jundong Li , Ninghao Liu

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…

Computer Vision and Pattern Recognition · Computer Science 2019-03-12 Shima Kamyab , Rasool Sabzi , Zohreh Azimifar

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

For planning of power systems and for the calibration of operational tools, it is essential to analyse system performance in a large range of representative scenarios. When the available historical data is limited, generative models are a…

Systems and Control · Electrical Eng. & Systems 2022-12-16 Chenguang Wang , Ensieh Sharifnia , Zhi Gao , Simon H. Tindemans , Peter Palensky

Variational auto-encoder (VAE) is a powerful unsupervised learning framework for image generation. One drawback of VAE is that it generates blurry images due to its Gaussianity assumption and thus L2 loss. To allow the generation of high…

Computer Vision and Pattern Recognition · Computer Science 2017-05-23 Lei Cai , Hongyang Gao , Shuiwang Ji
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