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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…

Biomolecules · Quantitative Biology 2022-11-01 Nhat Khang Ngo , Truong Son Hy , Risi Kondor

Variational AutoEncoders (VAEs) are powerful generative models that merge elements from statistics and information theory with the flexibility offered by deep neural networks to efficiently solve the generation problem for high dimensional…

Machine Learning · Computer Science 2021-03-02 A. Asperti , D. Evangelista , E. Loli Piccolomini

Disentangled representation learning (DRL) aims to identify and decompose underlying factors behind observations, thus facilitating data perception and generation. However, current DRL approaches often rely on the unrealistic assumption…

Computer Vision and Pattern Recognition · Computer Science 2024-07-30 Baao Xie , Qiuyu Chen , Yunnan Wang , Zequn Zhang , Xin Jin , Wenjun Zeng

3D geometric contents are becoming increasingly popular. In this paper, we study the problem of analyzing deforming 3D meshes using deep neural networks. Deforming 3D meshes are flexible to represent 3D animation sequences as well as…

Graphics · Computer Science 2018-03-30 Qingyang Tan , Lin Gao , Yu-Kun Lai , Shihong Xia

Recent advances in integrating positional and structural encodings (PSEs) into graph neural networks (GNNs) have significantly enhanced their performance across various graph learning tasks. However, the general applicability of these…

Machine Learning · Computer Science 2025-03-04 Billy Joe Franks , Moshe Eliasof , Semih Cantürk , Guy Wolf , Carola-Bibiane Schönlieb , Sophie Fellenz , Marius Kloft

Learning disentangled representations leads to interpretable models and facilitates data generation with style transfer, which has been extensively studied on static data such as images in an unsupervised learning framework. However, only a…

Machine Learning · Computer Science 2021-01-20 Jun Han , Martin Renqiang Min , Ligong Han , Li Erran Li , Xuan Zhang

The ability to record activities from hundreds of neurons simultaneously in the brain has placed an increasing demand for developing appropriate statistical techniques to analyze such data. Recently, deep generative models have been…

Machine Learning · Statistics 2020-11-11 Ding Zhou , Xue-Xin Wei

Graph generation is a crucial task in many fields, including network science and bioinformatics, as it enables the creation of synthetic graphs that mimic the properties of real-world networks for various applications. Graph Generative…

Machine Learning · Computer Science 2026-01-21 Salvatore Romano , Marco Grassia , Giuseppe Mangioni

The synthesis of product design concepts stands at the crux of early-phase development processes for technical products, traditionally posing an intricate interdisciplinary challenge. The application of deep learning methods, particularly…

Machine Learning · Computer Science 2025-05-22 Phillip Mueller , Lars Mikelsons

Paradoxically, a Variational Autoencoder (VAE) could be pushed in two opposite directions, utilizing powerful decoder model for generating realistic images but collapsing the learned representation, or increasing regularization coefficient…

Machine Learning · Computer Science 2022-03-30 Trung Ngo , Najwa Laabid , Ville Hautamäki , Merja Heinäniemi

Deep generative models have been wildly successful at learning coherent latent representations for continuous data such as video and audio. However, generative modeling of discrete data such as arithmetic expressions and molecular…

Machine Learning · Statistics 2017-03-07 Matt J. Kusner , Brooks Paige , José Miguel Hernández-Lobato

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

The ability to discover meaningful, accurate, and concise mathematical equations that describe datasets is valuable across various domains. Equations offer explicit relationships between variables, enabling deeper insights into underlying…

Machine Learning · Computer Science 2025-04-01 Nisal Ranasinghe , Damith Senanayake , Saman Halgamuge

Graph neural networks have shown remarkable success in exploiting the spatial and temporal patterns on dynamic graphs. However, existing GNNs exhibit poor generalization ability under distribution shifts, which is inevitable in dynamic…

Machine Learning · Computer Science 2025-11-25 Qingyun Sun , Jiayi Luo , Haonan Yuan , Xingcheng Fu , Hao Peng , Jianxin Li , Philip S. Yu

Subsurface earth models (referred to as geo-models) are crucial for characterizing complex subsurface systems. Multiple-point statistics are commonly used to generate geo-models. In this paper, a deep-learning-based generative method is…

Geophysics · Physics 2023-08-23 Jungang Chen , Chung-Kan Huang , Jose F. Delgado , Siddharth Misra

Inspired by the tremendous success of deep generative models on generating continuous data like image and audio, in the most recent year, few deep graph generative models have been proposed to generate discrete data such as graphs. They are…

Machine Learning · Computer Science 2018-06-25 Xiaojie Guo , Lingfei Wu , Liang Zhao

Deep generative models aim to learn underlying distributions that generate the observed data. Given the fact that the generative distribution may be complex and intractable, deep latent variable models use probabilistic frameworks to learn…

Machine Learning · Computer Science 2021-10-05 Batuhan Koyuncu

Graph-level anomaly detection (GAD) describes the problem of detecting graphs that are abnormal in their structure and/or the features of their nodes, as compared to other graphs. One of the challenges in GAD is to devise graph…

Computer Vision and Pattern Recognition · Computer Science 2021-12-21 Rongrong Ma , Guansong Pang , Ling Chen , Anton van den Hengel

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…

Social and Information Networks · Computer Science 2021-06-04 Xingzhi Guo , Baojian Zhou , Steven Skiena

Fault classification in industrial machinery is vital for enhancing reliability and reducing downtime, yet it remains challenging due to the variability of vibration patterns across diverse operating conditions. This study introduces a…

Machine Learning · Computer Science 2025-04-15 Moirangthem Tiken Singh
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