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Drug discovery is vitally important for protecting human against disease. Target-based screening is one of the most popular methods to develop new drugs in the past several decades. This method efficiently screens candidate drugs inhibiting…

Quantitative Methods · Quantitative Biology 2022-11-22 Fan Hu , Dongqi Wang , Huazhen Huang , Yishen Hu , Peng Yin

In the field of conditional autonomous driving technology, driver perceived risk prediction plays a crucial role in reducing traffic risks and ensuring passenger safety. This study introduces an innovative perceived risk prediction model…

Human-Computer Interaction · Computer Science 2025-03-07 Chenhao Yang , Siwei Huang , Chuan Hu

Background: Discovering potential drug-drug interactions (DDIs) is a long-standing challenge in clinical treatments and drug developments. Recently, deep learning techniques have been developed for DDI prediction. However, they generally…

Machine Learning · Computer Science 2024-03-20 Yaqing Wang , Zaifei Yang , Quanming Yao

Predicting synergistic drug combinations can help accelerate discovery of cancer treatments, particularly therapies personalized to a patient's specific tumor via biopsied cells. In this paper, we propose a novel setting and models for…

Artificial Intelligence · Computer Science 2023-10-26 Carl Edwards , Aakanksha Naik , Tushar Khot , Martin Burke , Heng Ji , Tom Hope

Accurate and efficient prediction of the molecular properties of drugs is one of the fundamental problems in drug research and development. Recent advancements in representation learning have been shown to greatly improve the performance of…

Biomolecules · Quantitative Biology 2022-06-17 Hui Liu , Yibiao Huang , Xuejun Liu , Lei Deng

Behavior prediction plays an important role in integrated autonomous driving software solutions. In behavior prediction research, interactive behavior prediction is a less-explored area, compared to single-agent behavior prediction.…

Artificial Intelligence · Computer Science 2022-11-01 Yutian Pang , Zehua Guo , Binnan Zhuang

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

Due to cancer's complex nature and variable response to therapy, precision oncology informed by omics sequence analysis has become the current standard of care. However, the amount of data produced for each patients makes it difficult to…

Machine Learning · Computer Science 2023-10-30 Patrick J. Lawrence , Xia Ning

Accurate extraction of molecular representations is a critical step in the drug discovery process. In recent years, significant progress has been made in molecular representation learning methods, among which multi-modal molecular…

Machine Learning · Computer Science 2025-05-13 Rong Yin , Ruyue Liu , Xiaoshuai Hao , Xingrui Zhou , Yong Liu , Can Ma , Weiping Wang

In reinforcement learning algorithms, leveraging multiple views of the environment can improve the learning of complicated policies. In multi-view environments, due to the fact that the views may frequently suffer from partial…

Machine Learning · Computer Science 2019-07-24 Elaheh Barati , Xuewen Chen

In recent years, policy learning methods using either reinforcement or imitation have made significant progress. However, both techniques still suffer from being computationally expensive and requiring large amounts of training data. This…

Robotics · Computer Science 2022-10-12 Jan Ole von Hartz , Eugenio Chisari , Tim Welschehold , Abhinav Valada

Autonomous systems face the intricate challenge of navigating unpredictable environments and interacting with external objects. The successful integration of robotic agents into real-world situations hinges on their perception capabilities,…

Robotics · Computer Science 2025-02-10 Enrico Donato , Thomas George Thuruthel , Egidio Falotico

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

Trajectory prediction is crucial for autonomous vehicles. The planning system not only needs to know the current state of the surrounding objects but also their possible states in the future. As for vehicles, their trajectories are…

Robotics · Computer Science 2020-07-07 Chenxu Luo , Lin Sun , Dariush Dabiri , Alan Yuille

For machine learning models to be most useful in numerous sociotechnical systems, many have argued that they must be human-interpretable. However, despite increasing interest in interpretability, there remains no firm consensus on how to…

Machine Learning · Computer Science 2021-02-03 Andrew Slavin Ross , Nina Chen , Elisa Zhao Hang , Elena L. Glassman , Finale Doshi-Velez

The ability to interpret machine learning model decisions is critical in such domains as healthcare, where trust in model predictions is as important as their accuracy. Inspired by the development of prototype parts-based deep neural…

Machine Learning · Computer Science 2026-03-06 Jacek Karolczak , Jerzy Stefanowski

Molecular property prediction has attracted substantial attention recently. Accurate prediction of drug properties relies heavily on effective molecular representations. The structures of chemical compounds are commonly represented as…

Machine Learning · Computer Science 2025-08-05 Anyin Zhao , Zuquan Chen , Zhengyu Fang , Xiaoge Zhang , Jing Li

Despite the notable progress made in action recognition tasks, not much work has been done in action recognition specifically for human-robot interaction. In this paper, we deeply explore the characteristics of the action recognition task…

Computer Vision and Pattern Recognition · Computer Science 2020-07-03 Ziyang Song , Ziyi Yin , Zejian Yuan , Chong Zhang , Wanchao Chi , Yonggen Ling , Shenghao Zhang

Drug-drug interaction event (DDIE) prediction is crucial for preventing adverse reactions and ensuring optimal therapeutic outcomes. However, existing methods often face challenges with imbalanced datasets, complex interaction mechanisms,…

Machine Learning · Computer Science 2026-03-16 Pengfei Liu , Jun Tao , Zhixiang Ren

Recently, much progress has been made for self-supervised action recognition. Most existing approaches emphasize the contrastive relations among videos, including appearance and motion consistency. However, two main issues remain for…

Computer Vision and Pattern Recognition · Computer Science 2022-04-28 Guanhong Wang , Keyu Lu , Yang Zhou , Zhanhao He , Gaoang Wang
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