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Related papers: Mitigating cold start problems in drug-target affi…

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Adversarial training is a useful approach to promote the learning of transferable representations across the source and target domains, which has been widely applied for domain adaptation (DA) tasks based on deep neural networks. Until very…

Machine Learning · Computer Science 2020-03-31 Zeya Wang , Baoyu Jing , Yang Ni , Nanqing Dong , Pengtao Xie , Eric P. Xing

Drug-target interaction (DTI) prediction is crucial for drug development and repositioning. Methods using heterogeneous graph neural networks (HGNNs) for DTI prediction have become a promising approach, with attention-based models often…

Biomolecules · Quantitative Biology 2024-11-05 Junwei Hu , Michael Bewong , Selasi Kwashie , Wen Zhang , Vincent M. Nofong , Guangsheng Wu , Zaiwen Feng

As graph representation learning often suffers from label scarcity problems in real-world applications, researchers have proposed graph domain adaptation (GDA) as an effective knowledge-transfer paradigm across graphs. In particular, to…

Machine Learning · Computer Science 2024-12-31 Boshen Shi , Yongqing Wang , Fangda Guo , Bingbing Xu , Huawei Shen , Xueqi Cheng

Prediction of protein-ligand interactions (PLI) plays a crucial role in drug discovery as it guides the identification and optimization of molecules that effectively bind to target proteins. Despite remarkable advances in deep…

Biomolecules · Quantitative Biology 2023-07-18 Seokhyun Moon , Sang-Yeon Hwang , Jaechang Lim , Woo Youn Kim

Drug-drug interaction(DDI) prediction is an important task in the medical health machine learning community. This study presents a new method, multi-view graph contrastive representation learning for drug-drug interaction prediction,…

Machine Learning · Computer Science 2021-04-13 Yingheng Wang , Yaosen Min , Xin Chen , Ji Wu

Deep transfer learning recently has acquired significant research interest. It makes use of pre-trained models that are learned from a source domain, and utilizes these models for the tasks in a target domain. Model-based deep transfer…

Computer Vision and Pattern Recognition · Computer Science 2018-11-27 Tianyang Wang , Jun Huan , Michelle Zhu

In this paper, a new method for PPI (proteinprotein interaction) prediction is proposed. In PPI prediction, a reliable and sufficient number of training samples is not available, but a large number of unlabeled samples is in hand. In the…

Machine Learning · Computer Science 2016-07-19 Amir Ahooye Atashin , Parsa Bagherzadeh , Kamaledin Ghiasi-Shirazi

In this paper, we study transfer learning for the PI and NLI problems, aiming to propose a general framework, which can effectively and efficiently adapt the shared knowledge learned from a resource-rich source domain to a resource- poor…

Computation and Language · Computer Science 2017-11-27 Jianfei Yu , Minghui Qiu , Jing Jiang , Jun Huang , Shuangyong Song , Wei Chu , Haiqing Chen

Deep learning has yet to revolutionize general practices in healthcare, despite promising results for some specific tasks. This is partly due to data being in insufficient quantities hurting the training of the models. To address this…

Computer Vision and Pattern Recognition · Computer Science 2020-06-30 Maxime De Bois , Mounîm A. El Yacoubi , Mehdi Ammi

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

When patients need to take medicine, particularly taking more than one kind of drug simultaneously, they should be alarmed that there possibly exists drug-drug interaction. Interaction between drugs may have a negative impact on patients or…

Computation and Language · Computer Science 2020-08-31 Siliang Tang , Qi Zhang , Tianpeng Zheng , Mengdi Zhou , Zhan Chen , Lixing Shen , Xiang Ren , Yueting Zhuang , Shiliang Pu , Fei Wu

Pre-training a deep neural network on the ImageNet dataset is a common practice for training deep learning models, and generally yields improved performance and faster training times. The technique of pre-training on one task and then…

Machine Learning · Computer Science 2020-01-03 Nishai Kooverjee , Steven James , Terence van Zyl

The computational drug repositioning aims to discover new uses for marketed drugs, which can accelerate the drug development process and play an important role in the existing drug discovery system. However, the number of validated…

Machine Learning · Computer Science 2022-06-02 Xinxing Yang , Genke Yang , Jian Chu

Transfer learning has been shown to be effective in many applications in which training data for the target problem are limited but data for a related (source) problem are abundant. In this paper, we apply transfer learning to the…

Quantitative Methods · Quantitative Biology 2020-05-20 Yitan Zhu , Thomas Brettin , Yvonne A. Evrard , Alexander Partin , Fangfang Xia , Maulik Shukla , Hyunseung Yoo , James H. Doroshow , Rick Stevens

Reinforcement learning (RL) agents in human-computer interactions applications require repeated user interactions before they can perform well. To address this "cold start" problem, we propose a novel approach of using cognitive models to…

Artificial Intelligence · Computer Science 2021-03-11 Chao Zhang , Shihan Wang , Henk Aarts , Mehdi Dastani

Cross-Disciplinary Cold-start Knowledge Tracing (CDCKT) faces a critical challenge: insufficient student interaction data in the target discipline prevents effective knowledge state modeling and performance prediction. Existing…

Information Retrieval · Computer Science 2025-11-26 Yulong Deng , Zheng Guan , Min He , Xue Wang , Jie Liu , Zheng Li

Motivation: Computational prediction of multiple-type drug-drug interaction (DDI) helps reduce unexpected side effects in poly-drug treatments. Although existing computational approaches achieve inspiring results, they ignore that the…

Machine Learning · Computer Science 2021-12-07 Hui Yu , ShiYu Zhao , JianYu Shi

Predicting drug response in patients from preclinical data remains a major challenge in precision oncology due to the substantial biological gap between in vitro cell lines and patient tumors. Rather than aiming to improve absolute in vitro…

Machine Learning · Computer Science 2026-03-18 Camille Jimenez Cortes , Philippe Lalanda , German Vega

Prediction of new drug-target interactions is extremely important as it can lead the researchers to find new uses for old drugs and to realize the therapeutic profiles or side effects thereof. However, experimental prediction of drug-target…

Computational Engineering, Finance, and Science · Computer Science 2017-07-05 Farshid Rayhan , Sajid Ahmed , Swakkhar Shatabda , Dewan Md Farid , Zaynab Mousavian , Abdollah Dehzangi , M Sohel Rahman

Drug discovery (DD) has tremendously contributed to maintaining and improving public health. Hypothesizing that inhibiting protein misfolding can slow disease progression, researchers focus on target identification (Target ID) to find…

Quantitative Methods · Quantitative Biology 2025-01-29 Ziwen Li , Xiang 'Anthony' Chen , Youngseung Jeon