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Motivation: The scalable identification of bioactive compounds is essential for contemporary drug discovery. This process faces a key trade-off: structural screening offers scalability but lacks biological context, whereas high-content…

Quantitative Methods · Quantitative Biology 2026-03-17 Xiaoqing Lian , Pengsen Ma , Tengfeng Ma , Zhonghao Ren , Xibao Cai , Zhixiang Cheng , Bosheng Song , He Wang , Xiang Pan , Yangyang Chen , Sisi Yuan , Chen Lin

Collecting labeled data for many important tasks in chemoinformatics is time consuming and requires expensive experiments. In recent years, machine learning has been used to learn rich representations of molecules using large scale…

Machine Learning · Computer Science 2022-05-20 A. Tevosyan , L. Khondkaryan , H. Khachatrian , G. Tadevosyan , L. Apresyan , N. Babayan , H. Stopper , Z. Navoyan

The treatment effects of medications play a key role in guiding medical prescriptions. They are usually assessed with randomized controlled trials (RCTs), which are expensive. Recently, large-scale electronic health records (EHRs) have…

Machine Learning · Statistics 2019-08-20 Linying Zhang , Yixin Wang , Anna Ostropolets , Jami J. Mulgrave , David M. Blei , George Hripcsak

Despite advances in deep probabilistic models, learning discrete latent representations remains challenging. This work introduces a novel method to improve inference in discrete Variational Autoencoders by reframing the inference problem…

Machine Learning · Computer Science 2025-06-11 María Martínez-García , Grace Villacrés , David Mitchell , Pablo M. Olmos

We introduce Post-DAE, a post-processing method based on denoising autoencoders (DAE) to improve the anatomical plausibility of arbitrary biomedical image segmentation algorithms. Some of the most popular segmentation methods (e.g. based on…

Computer Vision and Pattern Recognition · Computer Science 2020-06-25 Agostina J Larrazabal , César Martínez , Ben Glocker , Enzo Ferrante

While unsupervised variational autoencoders (VAE) have become a powerful tool in neuroimage analysis, their application to supervised learning is under-explored. We aim to close this gap by proposing a unified probabilistic model for…

Machine Learning · Computer Science 2019-07-15 Qingyu Zhao , Ehsan Adeli , Nicolas Honnorat , Tuo Leng , Kilian M. Pohl

Electroencephalography (EEG) signals are frequently used for various Brain-Computer Interface (BCI) tasks. While Deep Learning (DL) techniques have shown promising results, they are hindered by the substantial data requirements. By…

Signal Processing · Electrical Eng. & Systems 2024-05-24 Bruna Junqueira , Bruno Aristimunha , Sylvain Chevallier , Raphael Y. de Camargo

Discretization invariant learning aims at learning in the infinite-dimensional function spaces with the capacity to process heterogeneous discrete representations of functions as inputs and/or outputs of a learning model. This paper…

Machine Learning · Computer Science 2022-09-07 Yong Zheng Ong , Zuowei Shen , Haizhao Yang

Error-bounded lossy compression is becoming an indispensable technique for the success of today's scientific projects with vast volumes of data produced during simulations or instrument data acquisitions. Not only can it significantly…

Machine Learning · Computer Science 2023-10-24 Jinyang Liu , Sheng Di , Kai Zhao , Sian Jin , Dingwen Tao , Xin Liang , Zizhong Chen , Franck Cappello

Increasingly many real world tasks involve data in multiple modalities or views. This has motivated the development of many effective algorithms for learning a common latent space to relate multiple domains. However, most existing…

Computer Vision and Pattern Recognition · Computer Science 2017-11-17 Tanmoy Mukherjee , Makoto Yamada , Timothy M. Hospedales

This paper introduces a hybrid attention and autoencoder (AE) model for unsupervised online anomaly detection in time series. The autoencoder captures local structural patterns in short embeddings, while the attention model learns long-term…

Machine Learning · Computer Science 2024-01-09 Seyed Amirhossein Najafi , Mohammad Hassan Asemani , Peyman Setoodeh

In this paper a robust algorithm for DOA estimation of coherent sources in presence of antenna array imperfections is presented. We exploit the current advances of deep learning to overcome two of the most common problems facing the state…

Signal Processing · Electrical Eng. & Systems 2020-05-07 Aya Mostafa Ahmed , Omar Eissa , Aydin Sezgin

Understanding the coordinated activity underlying brain computations requires large-scale, simultaneous recordings from distributed neuronal structures at a cellular-level resolution. One major hurdle to design high-bandwidth,…

Neural and Evolutionary Computing · Computer Science 2018-09-18 Tong Wu , Wenfeng Zhao , Edward Keefer , Zhi Yang

Recent work shows that Sparse Autoencoders (SAE) applied to large language model (LLM) layers have neurons corresponding to interpretable concepts. These SAE neurons can be modified to align generated outputs, but only towards…

Computation and Language · Computer Science 2025-07-01 Ananya Joshi , Celia Cintas , Skyler Speakman

Estimation of Distribution Algorithms (EDAs) require flexible probability models that can be efficiently learned and sampled. Autoencoders (AE) are generative stochastic networks with these desired properties. We integrate a special type of…

Neural and Evolutionary Computing · Computer Science 2015-09-22 Malte Probst

Over the last few years, graph autoencoders (AE) and variational autoencoders (VAE) emerged as powerful node embedding methods, with promising performances on challenging tasks such as link prediction and node clustering. Graph AE, VAE and…

Machine Learning · Computer Science 2020-06-18 Guillaume Salha , Romain Hennequin , Michalis Vazirgiannis

Machine learning on trees has been mostly focused on trees as input to algorithms. Much less research has investigated trees as output, which has many applications, such as molecule optimization for drug discovery, or hint generation for…

Machine Learning · Computer Science 2022-02-11 Benjamin Paassen , Irena Koprinska , Kalina Yacef

Human computer interaction (HCI) involves a multidisciplinary fusion of technologies, through which the control of external devices could be achieved by monitoring physiological status of users. However, physiological biosignals often vary…

Signal Processing · Electrical Eng. & Systems 2020-09-29 Mo Han , Ozan Ozdenizci , Toshiaki Koike-Akino , Ye Wang , Deniz Erdogmus

As in many fields of medical research, survival analysis has witnessed a growing interest in the application of deep learning techniques to model complex, high-dimensional, heterogeneous, incomplete, and censored medical data. Current…

Machine Learning · Computer Science 2023-12-25 Patricia A. Apellániz , Juan Parras , Santiago Zazo

Graph autoencoders (AE) and variational autoencoders (VAE) recently emerged as powerful node embedding methods, with promising performances on challenging tasks such as link prediction and node clustering. Graph AE, VAE and most of their…

Machine Learning · Computer Science 2019-10-03 Guillaume Salha , Romain Hennequin , Michalis Vazirgiannis