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In the rapidly evolving landscape of medical imaging diagnostics, achieving high accuracy while preserving computational efficiency remains a formidable challenge. This work presents \texttt{DeepMediX}, a groundbreaking, resource-efficient…

Computer Vision and Pattern Recognition · Computer Science 2023-07-04 Kishore Babu Nampalle , Pradeep Singh , Uppala Vivek Narayan , Balasubramanian Raman

This paper introduces an SLD-resolution technique based on deep learning. This technique enables neural networks to learn from old and successful resolution processes and to use learnt experiences to guide new resolution processes. An…

Artificial Intelligence · Computer Science 2017-05-08 Cheng-Hao Cai

Predicting drug-gene associations is crucial for drug development and disease treatment. While graph neural networks (GNN) have shown effectiveness in this task, they face challenges with data sparsity and efficient contrastive learning…

Machine Learning · Computer Science 2025-02-14 Jiayang Wu , Wensheng Gan , Philip S. Yu

Electronic Health Records (EHRs) are pivotal in clinical practices, yet their retrieval remains a challenge mainly due to semantic gap issues. Recent advancements in dense retrieval offer promising solutions but existing models, both…

Information Retrieval · Computer Science 2025-07-25 Zhengyun Zhao , Huaiyuan Ying , Yue Zhong , Sheng Yu

Clinical data from electronic medical records, registries or trials provide a large source of information to apply machine learning methods in order to foster precision medicine, e.g. by finding new disease phenotypes or performing…

Machine Learning · Computer Science 2020-08-17 Maria Hügle , Gabriel Kalweit , Thomas Huegle , Joschka Boedecker

The Classification of medical images and illustrations in the literature aims to label a medical image according to the modality it was produced or label an illustration according to its production attributes. It is an essential and…

Computer Vision and Pattern Recognition · Computer Science 2017-06-29 Jianpeng Zhang , Yong Xia , Qi Wu , Yutong Xie

Drug-drug interactions (DDIs) are a major concern in polypharmacy. Public databases often provide only qualitative descriptions without pharmacokinetic context. We present an interactive web tool that integrates 191,541 descriptive DDI…

Quantitative Methods · Quantitative Biology 2025-08-13 Nadezhda Diadkina

One of the key requirements for incorporating machine learning into the drug discovery process is complete reproducibility and traceability of the model building and evaluation process. With this in mind, we have developed an end-to-end…

The 2019 novel coronavirus (SARS-CoV-2) pandemic has resulted in more than a million deaths, high morbidities, and economic distress worldwide. There is an urgent need to identify medications that would treat and prevent novel diseases like…

Machine Learning · Computer Science 2020-12-04 Siddhant Doshi , Sundeep Prabhakar Chepuri

Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling…

Chemical Physics · Physics 2022-01-03 Kenneth Atz , Francesca Grisoni , Gisbert Schneider

Drug discovery and development is a complex and costly process. Machine learning approaches are being investigated to help improve the effectiveness and speed of multiple stages of the drug discovery pipeline. Of these, those that use…

Artificial Intelligence · Computer Science 2022-09-27 Stephen Bonner , Ian P Barrett , Cheng Ye , Rowan Swiers , Ola Engkvist , Andreas Bender , Charles Tapley Hoyt , William L Hamilton

In the past decade, deep learning (DL) has achieved unprecedented success in numerous fields including computer vision, natural language processing, and healthcare. In particular, DL is experiencing an increasing development in applications…

Computer Vision and Pattern Recognition · Computer Science 2020-07-15 Liang Zhang , Johann Li , Ping Li , Xiaoyuan Lu , Peiyi Shen , Guangming Zhu , Syed Afaq Shah , Mohammed Bennarmoun , Kun Qian , Björn W. Schuller

Deep Learning (DL) requires a large amount of training data to provide quality outcomes. However, the field of medical imaging suffers from the lack of sufficient data for properly training DL models because medical images require manual…

Computer Vision and Pattern Recognition · Computer Science 2021-10-14 Laith Alzubaidi , J. Santamaría , Mohamed Manoufali , Beadaa Mohammed , Mohammed A. Fadhel , Jinglan Zhang , Ali H. Al-Timemy , Omran Al-Shamma , Ye Duan

Drug-drug interactions (DDIs) are a leading cause of preventable adverse events, often complicating treatment and increasing healthcare costs. At the same time, knowing which drugs do not interact is equally important, as such knowledge…

Machine Learning · Computer Science 2026-01-08 Maryam Abdollahi Shamami , Babak Teimourpour , Farshad Sharifi

Cocaine addiction accounts for a large portion of substance use disorders and threatens millions of lives worldwide. There is an urgent need to come up with efficient anti-cocaine addiction drugs. Unfortunately, no medications have been…

Molecular Networks · Quantitative Biology 2021-09-21 Kaifu Gao , Dong Chen , Alfred J Robison , Guo-Wei Wei

Deep learning (DL) models for tabular data problems (e.g. classification, regression) are currently receiving increasingly more attention from researchers. However, despite the recent efforts, the non-DL algorithms based on gradient-boosted…

Machine Learning · Computer Science 2023-10-27 Yury Gorishniy , Ivan Rubachev , Nikolay Kartashev , Daniil Shlenskii , Akim Kotelnikov , Artem Babenko

Recommendation is crucial in both academia and industry, and various techniques are proposed such as content-based collaborative filtering, matrix factorization, logistic regression, factorization machines, neural networks and multi-armed…

Information Retrieval · Computer Science 2019-10-30 Feng Liu , Ruiming Tang , Xutao Li , Weinan Zhang , Yunming Ye , Haokun Chen , Huifeng Guo , Yuzhou Zhang

Deep Learning (DL) has developed to become a corner-stone in many everyday applications that we are now relying on. However, making sure that the DL model uses the underlying hardware efficiently takes a lot of effort. Knowledge about…

Performance · Computer Science 2023-03-22 Karthick Panner Selvam , Mats Brorsson

Accurate prediction of protein-ligand binding affinity is critical for drug discovery. While recent deep learning approaches have demonstrated promising results, they often rely solely on structural features of proteins and ligands,…

Machine Learning · Computer Science 2026-01-23 Han Liu , Keyan Ding , Peilin Chen , Yinwei Wei , Liqiang Nie , Dapeng Wu , Shiqi Wang

Edge deep learning, a paradigm change reconciling edge computing and deep learning, facilitates real-time decision making attuned to environmental factors through the close integration of computational resources and data sources. Here we…

Computer Vision and Pattern Recognition · Computer Science 2026-05-11 Yiwen Xu , Tariq M. Khan , Yang Song , Erik Meijering