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For quantitative structure-property relationship (QSPR) studies in chemoinformatics, it is important to get interpretable relationship between chemical properties and chemical features. However, the predictive power and interpretability of…

Machine Learning · Statistics 2017-05-05 Youjun Xu , Jianfeng Pei , Luhua Lai

Facial expressions are combinations of basic components called Action Units (AU). Recognizing AUs is key for developing general facial expression analysis. In recent years, most efforts in automatic AU recognition have been dedicated to…

Computer Vision and Pattern Recognition · Computer Science 2018-03-26 Ciprian A. Corneanu , Meysam Madadi , Sergio Escalera

Predictive process monitoring aims to support the execution of a process during runtime with various predictions about the further evolution of a process instance. In the last years a plethora of deep learning architectures have been…

Machine Learning · Computer Science 2024-08-15 Martin Käppel , Lars Ackermann , Stefan Jablonski , Simon Härtl

This study develops a cloud-based deep learning system for early prediction of diabetes, leveraging the distributed computing capabilities of the AWS cloud platform and deep learning technologies to achieve efficient and accurate risk…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-07 Yang Zhang , Fa Wang , Xin Huang , Xintao Li , Sibei Liu , Hansong Zhang

Efforts toward a comprehensive description of behavior have indeed facilitated the development of representation-based approaches that utilize deep learning to capture behavioral information. As behavior complexity increases, the expressive…

Computational Engineering, Finance, and Science · Computer Science 2024-01-01 Cheng Wang , Hangyu Zhu , Yuhang Lin , Changjun Jiang

In clinical treatment, identifying potential adverse reactions of drugs can help assist doctors in making medication decisions. In response to the problems in previous studies that features are high-dimensional and sparse, independent…

Quantitative Methods · Quantitative Biology 2024-07-30 Yufeng Li , Wenchao Zhao , Bo Dang , Xu Yan , Weimin Wang , Min Gao , Mingxuan Xiao

Visual attention mechanisms have proven to be integrally important constituent components of many modern deep neural architectures. They provide an efficient and effective way to utilize visual information selectively, which has shown to be…

Computer Vision and Pattern Recognition · Computer Science 2019-05-24 Siddhesh Khandelwal , Leonid Sigal

Today, the acquisition of various behavioral log data has enabled deeper understanding of customer preferences and future behaviors in the marketing field. In particular, multimodal deep learning has achieved highly accurate predictions by…

Computational Engineering, Finance, and Science · Computer Science 2024-05-14 Junichiro Niimi

Attention is a very popular and effective mechanism in artificial neural network-based sequence-to-sequence models. In this survey paper, a comprehensive review of the different attention models used in developing automatic speech…

Sound · Computer Science 2021-02-16 Priyabrata Karmakar , Shyh Wei Teng , Guojun Lu

Deep learning (DL) based predictive models from electronic health records (EHR) deliver impressive performance in many clinical tasks. Large training cohorts, however, are often required to achieve high accuracy, hindering the adoption of…

Computation and Language · Computer Science 2020-05-27 Laila Rasmy , Yang Xiang , Ziqian Xie , Cui Tao , Degui Zhi

Structure based ligand discovery is one of the most successful approaches for augmenting the drug discovery process. Currently, there is a notable shift towards machine learning (ML) methodologies to aid such procedures. Deep learning has…

Machine Learning · Statistics 2018-06-12 Marta M. Stepniewska-Dziubinska , Piotr Zielenkiewicz , Pawel Siedlecki

Attention mechanisms are ubiquitous components in neural architectures applied to natural language processing. In addition to yielding gains in predictive accuracy, attention weights are often claimed to confer interpretability, purportedly…

Computation and Language · Computer Science 2020-04-08 Danish Pruthi , Mansi Gupta , Bhuwan Dhingra , Graham Neubig , Zachary C. Lipton

Predicting monomer reactivity ratios is crucial for controlling monomer sequence distribution in copolymers and their properties. Traditional experimental methods of determining reactivity ratios are time-consuming and resource-intensive,…

Chemical Physics · Physics 2025-12-24 Habibollah Safari , Mona Bavarian

We demonstrate a machine learning approach designed to extract hidden chemistry/physics to facilitate new materials discovery. In particular, we propose a novel method for learning latent knowledge from material structure data in which…

Materials Science · Physics 2021-08-03 Tien-Cuong Nguyen , Van-Quyen Nguyen , Van-Linh Ngo , Quang-Khoat Than , Tien-Lam Pham

Deep neural networks, including recurrent networks, have been successfully applied to human activity recognition. Unfortunately, the final representation learned by recurrent networks might encode some noise (irrelevant signal components,…

Machine Learning · Computer Science 2018-10-10 Ming Zeng , Haoxiang Gao , Tong Yu , Ole J. Mengshoel , Helge Langseth , Ian Lane , Xiaobing Liu

We introduce the elEmBERT model for chemical classification tasks. It is based on deep learning techniques, such as a multilayer encoder architecture. We demonstrate the opportunities offered by our approach on sets of organic, inorganic…

Chemical Physics · Physics 2024-08-20 Shokirbek Shermukhamedov , Dilorom Mamurjonova , Michael Probst

The prediction modeling of drug-target interactions is crucial to drug discovery and design, which has seen rapid advancements owing to deep learning technologies. Recently developed methods, such as those based on graph neural networks…

Quantitative Methods · Quantitative Biology 2025-11-19 Xinnan Zhang , Jialin Wu , Junyi Xie , Tianlong Chen , Kaixiong Zhou

Recognition accuracy and response time are both critically essential ahead of building practical electroencephalography (EEG) based brain-computer interface (BCI). Recent approaches, however, have either compromised in the classification…

Signal Processing · Electrical Eng. & Systems 2021-12-03 Yimin Hou , Shuyue Jia , Xiangmin Lun , Shu Zhang , Tao Chen , Fang Wang , Jinglei Lv

Predicting and enhancing inherent properties based on molecular structures is paramount to design tasks in medicine, materials science, and environmental management. Most of the current machine learning and deep learning approaches have…

Machine Learning · Computer Science 2024-04-08 Zachary R. Fox , Ayana Ghosh

Neuroimaging data analysis often involves \emph{a-priori} selection of data features to study the underlying neural activity. Since this could lead to sub-optimal feature selection and thereby prevent the detection of subtle patterns in…

Neurons and Cognition · Quantitative Biology 2018-07-03 Arna Ghosh , Fabien dal Maso , Marc Roig , Georgios D Mitsis , Marie-Hélène Boudrias
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