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Related papers: MLT-LE: predicting drug-target binding affinity wi…

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Vulnerability to adversarial attacks is a well-known weakness of Deep Neural networks. While most of the studies focus on single-task neural networks with computer vision datasets, very little research has considered complex multi-task…

Machine Learning · Computer Science 2021-10-29 Salah Ghamizi , Maxime Cordy , Mike Papadakis , Yves Le Traon

Machine learning shows great potential in virtual screening for drug discovery. Current efforts on accelerating docking-based virtual screening do not consider using existing data of other previously developed targets. To make use of the…

Machine Learning · Computer Science 2021-12-14 Zijing Liu , Xianbin Ye , Xiaomin Fang , Fan Wang , Hua Wu , Haifeng Wang

Accurate prediction of protein-ligand interactions is essential for computer-aided drug discovery. However, existing methods often fail to capture solvent-dependent conformational changes and lack the ability to jointly learn multiple…

Multi-task learning (MTL) seeks to improve the generalized performance of learning specific tasks, exploiting useful information incorporated in related tasks. As a promising area, this paper studies an MTL-based control approach…

Systems and Control · Electrical Eng. & Systems 2024-08-01 Andres Arias , Chuangchuang Sun

Prediction of protein-ligand (PL) binding affinity remains the key to drug discovery. Popular approaches in recent years involve graph neural networks (GNNs), which are used to learn the topology and geometry of PL complexes. However, GNNs…

Machine Learning · Computer Science 2022-05-17 Dmitrii Gavrilev , Nurlybek Amangeldiuly , Sergei Ivanov , Evgeny Burnaev

Multitask deep learning has been applied to patient outcome prediction from text, taking clinical notes as input and training deep neural networks with a joint loss function of multiple tasks. However, the joint training scheme of multitask…

Computation and Language · Computer Science 2023-01-26 Shaoxiong Ji , Pekka Marttinen

Accurate prediction of Drug-Target Affinity (DTA) is of vital importance in early-stage drug discovery, facilitating the identification of drugs that can effectively interact with specific targets and regulate their activities. While wet…

Biomolecules · Quantitative Biology 2023-10-18 Qizhi Pei , Lijun Wu , Jinhua Zhu , Yingce Xia , Shufang Xie , Tao Qin , Haiguang Liu , Tie-Yan Liu , Rui Yan

While the promises of Multi-Task Learning (MTL) are attractive, characterizing the conditions of its success is still an open problem in Deep Learning. Some tasks may benefit from being learned together while others may be detrimental to…

Machine Learning · Computer Science 2023-01-10 Raphael Azorin , Massimo Gallo , Alessandro Finamore , Dario Rossi , Pietro Michiardi

The accurate screening of candidate drug ligands against target proteins through computational approaches is of prime interest to drug development efforts. Such virtual screening depends in part on methods to predict the binding affinity…

Machine Learning · Computer Science 2024-10-22 Ho-Joon Lee , Prashant S. Emani , Mark B. Gerstein

Multi-task learning (MTL) in deep neural networks for NLP has recently received increasing interest due to some compelling benefits, including its potential to efficiently regularize models and to reduce the need for labeled data. While it…

Computation and Language · Computer Science 2017-02-28 Joachim Bingel , Anders Søgaard

Multi-task learning (MTL) aims at learning related tasks in a unified model to achieve mutual improvement among tasks considering their shared knowledge. It is an important topic in recommendation due to the demand for multi-task prediction…

Information Retrieval · Computer Science 2023-02-10 Yuhao Wang , Ha Tsz Lam , Yi Wong , Ziru Liu , Xiangyu Zhao , Yichao Wang , Bo Chen , Huifeng Guo , Ruiming Tang

Despite the recent progress in deep learning, most approaches still go for a silo-like solution, focusing on learning each task in isolation: training a separate neural network for each individual task. Many real-world problems, however,…

Computer Vision and Pattern Recognition · Computer Science 2022-03-29 Simon Vandenhende

Traditionally, multitask learning (MTL) assumes that all the tasks are related. This can lead to negative transfer when tasks are indeed incoherent. Recently, a number of approaches have been proposed that alleviate this problem by…

Machine Learning · Computer Science 2012-06-22 Wenliang Zhong , James Kwok

Multimedia applications often require concurrent solutions to multiple tasks. These tasks hold clues to each-others solutions, however as these relations can be complex this remains a rarely utilized property. When task relations are…

Computer Vision and Pattern Recognition · Computer Science 2019-04-08 Gjorgji Strezoski , Nanne van Noord , Marcel Worring

With the rise of neural networks in various domains, multi-task learning (MTL) gained significant relevance. A key challenge in MTL is balancing individual task losses during neural network training to improve performance and efficiency…

Machine Learning · Computer Science 2024-08-16 Lukas Kirchdorfer , Cathrin Elich , Simon Kutsche , Heiner Stuckenschmidt , Lukas Schott , Jan M. Köhler

Multi-task learning (MTL) has been widely used in recommender systems, wherein predicting each type of user feedback on items (e.g, click, purchase) are treated as individual tasks and jointly trained with a unified model. Our key…

Information Retrieval · Computer Science 2022-03-29 Chenxiao Yang , Junwei Pan , Xiaofeng Gao , Tingyu Jiang , Dapeng Liu , Guihai Chen

Multi-Task Learning (MTL) aims to learn multiple tasks simultaneously while exploiting their mutual relationships. By using shared resources to simultaneously calculate multiple outputs, this learning paradigm has the potential to have…

Machine Learning · Computer Science 2024-08-29 Maxime Fontana , Michael Spratling , Miaojing Shi

Hand-crafted features extracted from dynamic contrast-enhanced magnetic resonance images (DCE-MRIs) have shown strong predictive abilities in characterization of breast lesions. However, heterogeneity across medical image datasets hinders…

Medical Physics · Physics 2017-01-17 Natalia Antropova , Benjamin Huynh , Maryellen Giger

Multi-Task Learning (MTL) is a learning paradigm in machine learning and its aim is to leverage useful information contained in multiple related tasks to help improve the generalization performance of all the tasks. In this paper, we give a…

Machine Learning · Computer Science 2021-03-30 Yu Zhang , Qiang Yang

Predicting drug-target binding affinity (DTA) is essential for identifying potential therapeutic candidates in drug discovery. However, most existing models rely heavily on static protein structures, often overlooking the dynamic nature of…

Robotics · Computer Science 2025-05-20 Dan Luo , Jinyu Zhou , Le Xu , Sisi Yuan , Xuan Lin