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As a core mechanism of epigenetic regulation in eukaryotes, protein post-translational modifications (PTMs) require precise prediction to decipher dynamic life activity networks. To address the limitations of existing deep learning models…

Machine Learning · Computer Science 2025-06-09 Yiyu Lin , Yan Wang , You Zhou , Xinye Ni , Jiahui Wu , Sen Yang

Drug target interaction (DTI) prediction is a cornerstone of computational drug discovery, enabling rational design, repurposing, and mechanistic insights. While deep learning has advanced DTI modeling, existing approaches primarily rely on…

Machine Learning · Computer Science 2025-11-05 Feng Jiang , Amina Mollaysa , Hehuan Ma , Tommaso Mansi , Junzhou Huang , Mangal Prakash , Rui Liao

This paper aims to tackle the interactive behavior prediction task, and proposes a novel Conditional Goal-oriented Trajectory Prediction (CGTP) framework to jointly generate scene-compliant trajectories of two interacting agents. Our CGTP…

Robotics · Computer Science 2022-10-28 Ding Li , Qichao Zhang , Shuai Lu , Yifeng Pan , Dongbin Zhao

Multi-Task Learning (MTL) involves the concurrent training of multiple tasks, offering notable advantages for dense prediction tasks in computer vision. MTL not only reduces training and inference time as opposed to having multiple…

Computer Vision and Pattern Recognition · Computer Science 2024-12-05 Maxime Fontana , Michael Spratling , Miaojing Shi

Precise yield prediction is essential for agricultural sustainability and food security. However, climate change complicates accurate yield prediction by affecting major factors such as weather conditions, soil fertility, and farm…

Computer Vision and Pattern Recognition · Computer Science 2025-09-22 Shalini Dangi , Surya Karthikeya Mullapudi , Chandravardhan Singh Raghaw , Shahid Shafi Dar , Mohammad Zia Ur Rehman , Nagendra Kumar

In automated planning, recognising the goal of an agent from a trace of observations is an important task with many applications. The state-of-the-art approaches to goal recognition rely on the application of planning techniques, which…

Artificial Intelligence · Computer Science 2022-10-26 Mattia Chiari , Alfonso E. Gerevini , Luca Putelli , Francesco Percassi , Ivan Serina

Molecular Property Prediction (MPP) task involves predicting biochemical properties based on molecular features, such as molecular graph structures, contributing to the discovery of lead compounds in drug development. To address data…

Machine Learning · Computer Science 2023-12-07 Xu Yao , Shuang Liang , Songqiao Han , Hailiang Huang

Graph networks are a new machine learning (ML) paradigm that supports both relational reasoning and combinatorial generalization. Here, we develop universal MatErials Graph Network (MEGNet) models for accurate property prediction in both…

Materials Science · Physics 2019-04-29 Chi Chen , Weike Ye , Yunxing Zuo , Chen Zheng , Shyue Ping Ong

Click-Through Rate (CTR) prediction is a core task in nowadays commercial recommender systems. Feature crossing, as the mainline of research on CTR prediction, has shown a promising way to enhance predictive performance. Even though various…

Information Retrieval · Computer Science 2021-04-23 Runlong Yu , Yuyang Ye , Qi Liu , Zihan Wang , Chunfeng Yang , Yucheng Hu , Enhong Chen

Multi-task learning for molecular property prediction is becoming increasingly important in drug discovery. However, in contrast to other domains, the performance of multi-task learning in drug discovery is still not satisfying as the…

Biomolecules · Quantitative Biology 2022-10-07 Shengchao Liu , Meng Qu , Zuobai Zhang , Huiyu Cai , Jian Tang

The identification of DNA-binding proteins (DBPs) is essential due to their significant impact on various biological activities. Understanding the mechanisms underlying protein-DNA interactions is essential for elucidating various life…

Machine Learning · Computer Science 2026-01-27 A. Quadir , M. Sajid , M. Tanveer

The multi-modality and stochastic characteristics of human behavior make motion prediction a highly challenging task, which is critical for autonomous driving. While deep learning approaches have demonstrated their great potential in this…

Computer Vision and Pattern Recognition · Computer Science 2024-03-04 Xiaqiang Tang , Weigao Sun , Siyuan Hu , Yiyang Sun , Yafeng Guo

We address a fundamental problem in chemistry known as chemical reaction product prediction. Our main insight is that the input reactant and reagent molecules can be jointly represented as a graph, and the process of generating product…

Neural and Evolutionary Computing · Computer Science 2018-12-27 Kien Do , Truyen Tran , Svetha Venkatesh

Most pedestrian trajectory prediction methods rely on a huge amount of trajectories annotation, which is time-consuming and expensive. Moreover, a well-trained model may not effectively generalize to a new scenario captured by another…

Computer Vision and Pattern Recognition · Computer Science 2022-08-17 Pingxuan Huang , Zhenhua Cui , Jing Li , Shenghua Gao , bo Hu , Yanyan Fang

In today's era, users have increasingly high expectations regarding the performance and efficiency of communication networks. Network operators aspire to achieve efficient network planning, operation, and optimization through Digital Twin…

Networking and Internet Architecture · Computer Science 2024-01-02 Aijia Liu , Shiqing Liu , Xiaobing Pei

Cross-target stance detection (CTSD) is an important task, which infers the attitude of the destination target by utilizing annotated data derived from the source target. One important approach in CTSD is to extract domain-invariant…

Computation and Language · Computer Science 2024-01-05 Daijun Ding , Rong Chen , Liwen Jing , Bowen Zhang , Xu Huang , Li Dong , Xiaowen Zhao , Ge Song

Graph Neural Networks (GNNs) have been widely used for various learning tasks, ranging from node classification to link prediction. They have demonstrated excellent performance in multiple domains involving graph-structured data. However,…

Machine Learning · Computer Science 2026-03-19 Steven E. Wilson , Sina Khanmohammadi

Understanding the implication of point cloud is still challenging to achieve the goal of classification or segmentation due to the irregular and sparse structure of point cloud. As we have known, PointNet architecture as a ground-breaking…

Computer Vision and Pattern Recognition · Computer Science 2020-09-29 Xi-An Li , Lei Zhang , Li-Yan Wang , Jian Lu

The drug discovery stage is a vital aspect of the drug development process and forms part of the initial stages of the development pipeline. In recent times, machine learning-based methods are actively being used to model drug-target…

Machine Learning · Computer Science 2020-09-02 Brighter Agyemang , Wei-Ping Wu , Michael Yelpengne Kpiebaareh , Zhihua Lei , Ebenezer Nanor , Lei Chen

Multi-modal learning focuses on training models by equally combining multiple input data modalities during the prediction process. However, this equal combination can be detrimental to the prediction accuracy because different modalities…

Computer Vision and Pattern Recognition · Computer Science 2022-07-25 Hu Wang , Jianpeng Zhang , Yuanhong Chen , Congbo Ma , Jodie Avery , Louise Hull , Gustavo Carneiro