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Virtual screening, which identifies potential drugs from vast compound databases to bind with a particular protein pocket, is a critical step in AI-assisted drug discovery. Traditional docking methods are highly time-consuming, and can only…

Machine Learning · Computer Science 2023-10-11 Bowen Gao , Bo Qiang , Haichuan Tan , Minsi Ren , Yinjun Jia , Minsi Lu , Jingjing Liu , Weiying Ma , Yanyan Lan

Accurate quantification of fish feeding intensity is crucial for precision feeding in aquaculture, as it directly affects feed utilization and farming efficiency. Although multimodal fusion has proven to be an effective solution, existing…

Computer Vision and Pattern Recognition · Computer Science 2026-04-14 Shulong Zhang , Mingyuan Yao , Jiayin Zhao , Daoliang Li , Yingyi Chen , Haihua Wang

Liver tumor segmentation, dynamic enhancement regression, and classification are critical for clinical assessment and diagnosis. However, no prior work has attempted to achieve these tasks simultaneously in an end-to-end framework,…

Image and Video Processing · Electrical Eng. & Systems 2025-11-27 Xiaojiao Xiao , Qinmin Vivian Hu , Tae Hyun Kim , Guanghui Wang

In medicine, treatments often influence multiple, interdependent outcomes, such as primary endpoints, complications, adverse events, or other secondary endpoints. Hence, to make optimal treatment decisions, clinicians are interested in…

Machine Learning · Computer Science 2025-06-03 Yuchen Ma , Jonas Schweisthal , Hengrui Zhang , Stefan Feuerriegel

The discovery of drug-target interactions (DTIs) is a pivotal process in pharmaceutical development. Computational approaches are a promising and efficient alternative to tedious and costly wet-lab experiments for predicting novel DTIs from…

Artificial Intelligence · Computer Science 2023-03-22 Bin Liu , Jin Wang , Kaiwei Sun , Grigorios Tsoumakas

In this mini-review, we explore the new prediction methods for drug combination synergy relying on high-throughput combinatorial screens. The fast progress of the field is witnessed in the more than thirty original machine learning methods…

Machine Learning · Computer Science 2024-04-16 Fatemeh Abbasi , Juho Rousu

Precise interference detection and identification are crucial for enhancing the survivability of communication systems in non-cooperative wireless environments. While deep learning (DL) has advanced this field, existing single-task learning…

Machine Learning · Computer Science 2026-04-13 H. Xu , B. He , S. Wang

Visual document retrieval has become essential for accessing information in visually rich documents. Existing approaches fall into two camps. Late-interaction retrievers achieve strong quality through fine-grained token-level matching but…

Machine Learning · Computer Science 2026-05-08 Weien Li , Rui Song , Zeyu Li , Haochen Liu , Gonghao Zhang , Difan Jiao , Zhenwei Tang , Bowei He , Haolun Wu , Xue Liu , Ye Yuan

Semantically connecting users and items is a fundamental problem for the matching stage of an industrial recommender system. Recent advances in this topic are based on multi-channel retrieval to efficiently measure users' interest on items…

Information Retrieval · Computer Science 2022-02-15 Yujie Lu , Ping Nie , Shengyu Zhang , Ming Zhao , Ruobing Xie , William Yang Wang , Yi Ren

The viability of a new drug molecule is a time and resource intensive task that makes computer-aided assessments a vital approach to rapid drug discovery. Here we develop a machine learning algorithm, iMiner, that generates novel inhibitor…

As a critical component for online advertising and marking, click-through rate (CTR) prediction has draw lots of attentions from both industry and academia field. Recently, the deep learning has become the mainstream methodological choice…

Information Retrieval · Computer Science 2022-07-12 Zhishan Zhao , Sen Yang , Guohui Liu , Dawei Feng , Kele Xu

Drug combination therapies have shown promising therapeutic efficacy in complex diseases and have demonstrated the potential to reduce drug resistance. However, the huge number of possible drug combinations makes it difficult to screen them…

Machine Learning · Computer Science 2025-01-15 XinXin Ge , Yi-Ting Lee , Shan-Ju Yeh

Drug-Drug Interactions (DDIs) significantly influence therapeutic efficacy and patient safety. As experimental discovery is resource-intensive and time-consuming, efficient computational methodologies have become essential. The predominant…

Machine Learning · Computer Science 2026-02-03 Xinmo Jin , Bowen Fan , Xunkai Li , Henan Sun , YuXin Zeng , Zekai Chen , Yuxuan Sun , Jia Li , Qiangqiang Dai , Hongchao Qin , Rong-Hua Li , Guoren Wang

Masked image modeling (MIM) learns representations with remarkably good fine-tuning performances, overshadowing previous prevalent pre-training approaches such as image classification, instance contrastive learning, and image-text…

Computer Vision and Pattern Recognition · Computer Science 2022-08-25 Yixuan Wei , Han Hu , Zhenda Xie , Zheng Zhang , Yue Cao , Jianmin Bao , Dong Chen , Baining Guo

Motivation: Peptide-protein interactions (PepPIs) are central to cellular regulation and peptide therapeutics, but experimental characterization remains too slow for large-scale screening. Existing methods usually emphasize either…

Machine Learning · Computer Science 2026-04-28 Chupei Tang , Junxiao Kong , Moyu Tang , Di Wang , Jixiu Zhai , Ronghao Xie , Shangkun Sima , Tianchi Lu

The identification of essential proteins can help in understanding the minimum requirements for cell survival and development. Network-based centrality approaches are commonly used to identify essential proteins from protein-protein…

Computational Engineering, Finance, and Science · Computer Science 2023-11-13 Li Pan , Haoyue Wang , Jing Sun , Bin Li , Bo Yang , Wenbin Li

Predicting drug-drug interactions (DDI) is the problem of predicting side effects (unwanted outcomes) of a pair of drugs using drug information and known side effects of many pairs. This problem can be formulated as predicting labels (i.e.…

Machine Learning · Computer Science 2023-04-05 Duc Anh Nguyen , Canh Hao Nguyen , Hiroshi Mamitsuka

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

Since multidrug combination is widely applied, the accurate prediction of drug-drug interaction (DDI) is becoming more and more critical. In our method, we use graph to represent drug-drug interaction: nodes represent drug; edges represent…

Machine Learning · Computer Science 2022-09-01 Haifan zhou , Wenjing Zhou , Junfeng Wu

In this study, we present a multimodal framework for predicting neuro-facial disorders by capturing both vocal and facial cues. We hypothesize that explicitly disentangling shared and modality-specific representations within multimodal…

Audio and Speech Processing · Electrical Eng. & Systems 2026-01-13 Mohd Mujtaba Akhtar , Girish , Muskaan Singh