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The study of molecule-target interaction is quite important for drug discovery in terms of target identification, hit identification, pathway study, drug-drug interaction, etc. Most existing methodologies utilize either biomedical network…

Machine Learning · Computer Science 2023-02-07 Jinjiang Guo , Jie Li

Activity cliffs (ACs), which are generally defined as pairs of structurally similar molecules that are active against the same bio-target but significantly different in the binding potency, are of great importance to drug discovery. Up to…

Biomolecules · Quantitative Biology 2023-02-16 Ziqiao Zhang , Bangyi Zhao , Ailin Xie , Yatao Bian , Shuigeng Zhou

Peptide-drug conjugates (PDCs) represent a promising therapeutic avenue for human diseases, particularly in cancer treatment. Systematic elucidation of structure-activity relationships (SARs) and accurate prediction of the activity of PDCs…

Machine Learning · Computer Science 2025-06-17 Yun Liu , Jintu Huang , Yingying Zhu , Congrui Wen , Yu Pang , Ji-Quan Zhang , Ling Wang

Scene understanding is crucial for autonomous systems which intend to operate in the real world. Single task vision networks extract information only based on some aspects of the scene. In multi-task learning (MTL), on the other hand, these…

Computer Vision and Pattern Recognition · Computer Science 2022-08-15 Naresh Kumar Gurulingan , Elahe Arani , Bahram Zonooz

Click-through rate (CTR) prediction is a critical task for many industrial systems, such as display advertising and recommender systems. Recently, modeling user behavior sequences attracts much attention and shows great improvements in the…

Information Retrieval · Computer Science 2020-08-27 Yufei Feng , Fuyu Lv , Binbin Hu , Fei Sun , Kun Kuang , Yang Liu , Qingwen Liu , Wenwu Ou

Existing click-through rate (CTR) prediction works have studied the role of feature interaction through a variety of techniques. Each interaction technique exhibits its own strength, and solely using one type usually constrains the model's…

Information Retrieval · Computer Science 2025-06-23 Xu Chen , Zida Cheng , Yuangang Pan , Shuai Xiao , Xiaoming Liu , Jinsong Lan , Xiaoyong Zhu , Bo Zheng , Ivor W. Tsang

Multi-target prediction (MTP) is concerned with the simultaneous prediction of multiple target variables of diverse type. Due to its enormous application potential, it has developed into an active and rapidly expanding research field that…

Machine Learning · Statistics 2018-09-10 Willem Waegeman , Krzysztof Dembczynski , Eyke Huellermeier

Multi-object tracking (MOT) and trajectory prediction are two critical components in modern 3D perception systems that require accurate modeling of multi-agent interaction. We hypothesize that it is beneficial to unify both tasks under one…

Computer Vision and Pattern Recognition · Computer Science 2021-04-06 Xinshuo Weng , Ye Yuan , Kris Kitani

Motivation: MicroRNAs (miRNAs) play pivotal roles in gene expression regulation by binding to target sites of messenger RNAs (mRNAs). While identifying functional targets of miRNAs is of utmost importance, their prediction remains a great…

Genomics · Quantitative Biology 2021-10-14 Seonwoo Min , Byunghan Lee , Sungroh Yoon

Deep learning approaches achieved significant progress in predicting protein structures. These methods are often applied to protein-protein interactions (PPIs) yet require Multiple Sequence Alignment (MSA) which is unavailable for various…

Machine Learning · Computer Science 2024-06-27 Matan Halfon , Tomer Cohen , Raanan Fattal , Dina Schneidman-Duhovny

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Multitask learning is a common approach in machine learning, which allows to train multiple objectives with a shared architecture. It has been shown that by training multiple tasks together inference time and compute resources can be saved,…

Computer Vision and Pattern Recognition · Computer Science 2021-09-13 Falk Heuer , Sven Mantowsky , Syed Saqib Bukhari , Georg Schneider

The recent success of graph neural networks has significantly boosted molecular property prediction, advancing activities such as drug discovery. The existing deep neural network methods usually require large training dataset for each…

Machine Learning · Computer Science 2021-02-17 Zhichun Guo , Chuxu Zhang , Wenhao Yu , John Herr , Olaf Wiest , Meng Jiang , Nitesh V. Chawla

As modern networks grow increasingly complex--driven by diverse devices, encrypted protocols, and evolving threats--network traffic analysis has become critically important. Existing machine learning models often rely only on a single…

Cryptography and Security · Computer Science 2025-07-04 Binghui Wu , Dinil Mon Divakaran , Mohan Gurusamy

Machine learning (ML) is revolutionizing protein structural analysis, including an important subproblem of predicting protein residue contact maps, i.e., which amino-acid residues are in close spatial proximity given the amino-acid sequence…

Quantitative Methods · Quantitative Biology 2022-12-23 Kuang Liu , Rajiv K. Kalia , Xinlian Liu , Aiichiro Nakano , Ken-ichi Nomura , Priya Vashishta , Rafael Zamora-Resendizc

Multi-task dense prediction aims to perform multiple pixel-level tasks simultaneously. However, capturing global cross-task interactions remains non-trivial due to the quadratic complexity of standard self-attention on high-resolution…

Computer Vision and Pattern Recognition · Computer Science 2026-04-03 Chen Liu , Hengyu Man , Xiaopeng Fan , Debin Zhao

Understanding and leveraging the 3D structures of proteins is central to a variety of biological and drug discovery tasks. While deep learning has been applied successfully for structure-based protein function prediction tasks, current…

Machine Learning · Computer Science 2024-04-03 Rong Han , Wenbing Huang , Lingxiao Luo , Xinyan Han , Jiaming Shen , Zhiqiang Zhang , Jun Zhou , Ting Chen

Grounded Multimodal Named Entity Recognition (GMNER) is an emerging information extraction (IE) task, aiming to simultaneously extract entity spans, types, and corresponding visual regions of entities from given sentence-image pairs data.…

Information Retrieval · Computer Science 2025-01-28 Jielong Tang , Zhenxing Wang , Ziyang Gong , Jianxing Yu , Xiangwei Zhu , Jian Yin

The visual feature pyramid has proven its effectiveness and efficiency in target detection tasks. Yet, current methodologies tend to overly emphasize inter-layer feature interaction, neglecting the crucial aspect of intra-layer feature…

Computer Vision and Pattern Recognition · Computer Science 2024-01-03 Weilin Xiao , Ming Xu , Yonggui Lin

Multivariate time series prediction is widely used in daily life, which poses significant challenges due to the complex correlations that exist at multi-grained levels. Unfortunately, the majority of current time series prediction models…

Machine Learning · Computer Science 2024-05-31 Zhicheng Chen , Xi Xiao , Ke Xu , Zhong Zhang , Yu Rong , Qing Li , Guojun Gan , Zhiqiang Xu , Peilin Zhao
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