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In structure-based drug design, accurately estimating the binding affinity between a candidate ligand and its protein receptor is a central challenge. Recent advances in artificial intelligence, particularly deep learning, have demonstrated…

Biomolecules · Quantitative Biology 2025-09-18 Md Masud Rana , Farjana Tasnim Mukta , Duc D. Nguyen

Non-local self-similarity in natural images has been verified to be an effective prior for image restoration. However, most existing deep non-local methods assign a fixed number of neighbors for each query item, neglecting the dynamics of…

Computer Vision and Pattern Recognition · Computer Science 2021-09-15 Chong Mou , Jian Zhang , Zhuoyuan Wu

Goal-conditioned reinforcement learning (RL) is a promising direction for training agents that are capable of solving multiple tasks and reach a diverse set of objectives. How to \textit{specify} and \textit{ground} these goals in such a…

Fine-grained categories that largely share the same set of parts cannot be discriminated based on part information alone, as they mostly differ in the way the local parts relate to the overall global structure of the object. We propose…

Computer Vision and Pattern Recognition · Computer Science 2022-10-06 Abhra Chaudhuri , Massimiliano Mancini , Zeynep Akata , Anjan Dutta

Image Representation Learning is an important problem in Computer Vision. Traditionally, images were processed as grids, using Convolutional Neural Networks or as a sequence of visual tokens, using Vision Transformers. Recently, Vision…

Computer Vision and Pattern Recognition · Computer Science 2025-09-24 Ismael Elsharkawi , Hossam Sharara , Ahmed Rafea

Occlusion is a common problem with biometric recognition in the wild. The generalization ability of CNNs greatly decreases due to the adverse effects of various occlusions. To this end, we propose a novel unified framework integrating the…

Computer Vision and Pattern Recognition · Computer Science 2023-07-28 Min Ren , Yunlong Wang , Yuhao Zhu , Kunbo Zhang , Zhenan Sun

Deep learning based task systems normally rely on a large amount of manually labeled training data, which is expensive to obtain and subject to operator variations. Moreover, it does not always hold that the manually labeled data and the…

Machine Learning · Computer Science 2019-07-25 Jun Chen , Heye Zhang , Yanping Zhang , Shu Zhao , Raad Mohiaddin , Tom Wong , David Firmin , Guang Yang , Jennifer Keegan

Understanding how deep neural networks learn representations remains a central challenge in machine learning theory. In this work, we propose a feature-centric framework for analyzing neural network training by relating weight updates to…

Machine Learning · Computer Science 2026-05-08 Taehun Cha , Daniel Beaglehole , Adityanarayanan Radhakrishnan , Donghun Lee

Most existing methods for predicting drug-drug interactions (DDI) predominantly concentrate on capturing the explicit relationships among drugs, overlooking the valuable implicit correlations present between drug pairs (DPs), which leads to…

Machine Learning · Computer Science 2024-02-29 Mengying Jiang , Guizhong Liu , Yuanchao Su , Weiqiang Jin , Biao Zhao

This paper introduces Graph Convolutional Recurrent Network (GCRN), a deep learning model able to predict structured sequences of data. Precisely, GCRN is a generalization of classical recurrent neural networks (RNN) to data structured by…

Machine Learning · Statistics 2016-12-23 Youngjoo Seo , Michaël Defferrard , Pierre Vandergheynst , Xavier Bresson

We propose Graph Consistency Regularization (GCR), a novel framework that injects relational graph structures, derived from model predictions, into the learning process to promote class-aware, semantically meaningful feature…

Machine Learning · Computer Science 2025-10-14 Xi Ding , Lei Wang , Piotr Koniusz , Yongsheng Gao

Matching information across image and text modalities is a fundamental challenge for many applications that involve both vision and natural language processing. The objective is to find efficient similarity metrics to compare the similarity…

Computer Vision and Pattern Recognition · Computer Science 2020-10-29 Li Ren , Kai Li , LiQiang Wang , Kien Hua

Generative pre-training via discrete diffusion provides dense reconstruction supervision across all feature fields simultaneously, mitigating representation collapse from data sparsity in CTR prediction. However, all existing generative CTR…

Information Retrieval · Computer Science 2026-05-26 Moyu Zhang , Yun Chen , Yujun Jin , Jinxin Hu , Yu Zhang , Xiaoyi Zeng

Traffic forecasting is a problem of intelligent transportation systems (ITS) and crucial for individuals and public agencies. Therefore, researches pay great attention to deal with the complex spatio-temporal dependencies of traffic system…

Machine Learning · Computer Science 2021-12-07 Yanjun Qin , Yuchen Fang , Haiyong Luo , Fang Zhao , Chenxing Wang

Background With microarray technology becoming mature and popular, the selection and use of a small number of relevant genes for accurate classification of samples is a hot topic in the circles of biostatistics and bioinformatics. However,…

Methodology · Statistics 2014-03-05 Suyan Tian , Mayte Suárez-Fariñas

Click-through rate prediction plays an important role in the field of recommender system and many other applications. Existing methods mainly extract user interests from user historical behaviors. However, behavioral sequences only contain…

Information Retrieval · Computer Science 2021-09-28 Yunfei Chu , Xiaofu Chang , Kunyang Jia , Jingzhen Zhou , Hongxia Yang

Graph neural network(GNN) has been a powerful approach in collaborative filtering(CF) due to its ability to model high-order user-item relationships. Recently, to alleviate the data sparsity and enhance representation learning, many efforts…

Information Retrieval · Computer Science 2024-12-10 Bowen Zheng , Junjie Zhang , Hongyu Lu , Yu Chen , Ming Chen , Wayne Xin Zhao , Ji-Rong Wen

Rule-based models, e.g., decision trees, are widely used in scenarios demanding high model interpretability for their transparent inner structures and good model expressivity. However, rule-based models are hard to optimize, especially on…

Machine Learning · Computer Science 2024-01-31 Zhuo Wang , Wei Zhang , Ning Liu , Jianyong Wang

Existing deep trackers mainly use convolutional neural networks pre-trained for generic object recognition task for representations. Despite demonstrated successes for numerous vision tasks, the contributions of using pre-trained deep…

Computer Vision and Pattern Recognition · Computer Science 2019-04-04 Xin Li , Chao Ma , Baoyuan Wu , Zhenyu He , Ming-Hsuan Yang

Convolutional Neural Networks (CNN) have become state-of-the-art in the field of image classification. However, not everything is understood about their inner representations. This paper tackles the interpretability and explainability of…

Computer Vision and Pattern Recognition · Computer Science 2019-11-11 Brian Kenji Iwana , Ryohei Kuroki , Seiichi Uchida