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Prediction of protein-ligand complexes for flexible proteins remains still a challenging problem in computational structural biology and drug design. Here we present two novel deep neural network approaches with significant improvement in…

Biomolecules · Quantitative Biology 2020-08-28 Amr H. Mahmoud , Jonas F. Lill , Markus A. Lill

In this paper, a 1d convolutional neural network is designed for classification tasks of plant leaves. This network based classifier is analyzed in two directions. In the forward direction, the proposed network can be used in two ways: a…

Computer Vision and Pattern Recognition · Computer Science 2020-09-18 Dongyang Kuang

Graph Neural Networks (GNNs) traditionally employ a message-passing mechanism that resembles diffusion over undirected graphs, which often leads to homogenization of node features and reduced discriminative power in tasks such as node…

Machine Learning · Computer Science 2025-03-04 Seong Ho Pahng , Sahand Hormoz

Generative neural network is a new category of neural networks and it has been widely utilized in applications such as content generation, unsupervised learning, segmentation and pose estimation. It typically involves massive…

Machine Learning · Computer Science 2020-04-30 Dawen Xu , Ying Wang , Kaijie Tu , Cheng Liu , Bingsheng He , Lei Zhang

This paper follows cognitive studies to investigate a graph representation for sketches, where the information of strokes, i.e., parts of a sketch, are encoded on vertices and information of inter-stroke on edges. The resultant graph…

Computer Vision and Pattern Recognition · Computer Science 2022-04-29 Sheng Cheng , Yi Ren , Yezhou Yang

Cracks play a crucial role in assessing the safety and durability of manufactured buildings. However, the long and sharp topological features and complex background of cracks make the task of crack segmentation extremely challenging. In…

Computer Vision and Pattern Recognition · Computer Science 2023-11-14 Huaqi Tao , Bingxi Liu , Jinqiang Cui , Hong Zhang

Recent advances in deep learning, especially deep convolutional neural networks (CNNs), have led to significant improvement over previous semantic segmentation systems. Here we show how to improve pixel-wise semantic segmentation by…

Computer Vision and Pattern Recognition · Computer Science 2018-06-04 Panqu Wang , Pengfei Chen , Ye Yuan , Ding Liu , Zehua Huang , Xiaodi Hou , Garrison Cottrell

Graph Convolutional Networks (GCNs) have made significant advances in semi-supervised learning, especially for classification tasks. However, existing GCN based methods have two main drawbacks. First, to increase the receptive field and…

Computer Vision and Pattern Recognition · Computer Science 2019-11-13 Qikui Zhu , Bo Du , Pingkun Yan

Text summarization aims to generate a headline or a short summary consisting of the major information of the source text. Recent studies employ the sequence-to-sequence framework to encode the input with a neural network and generate…

Computation and Language · Computer Science 2020-03-26 Haiyang Xu , Yahao He , Kun Han , Junwen Chen , Xiangang Li

The accurate prediction of geometric state evolution in complex systems is critical for advancing scientific domains such as quantum chemistry and material modeling. Traditional experimental and computational methods face challenges in…

Machine Learning · Computer Science 2024-11-01 Shengjie Luo , Yixian Xu , Di He , Shuxin Zheng , Tie-Yan Liu , Liwei Wang

In this paper, we propose a spatial graph convolution (GC) to classify signals on a graph. Existing GC methods are limited to using the structural information in the feature space. Additionally, the single step of GCs only uses features on…

Computer Vision and Pattern Recognition · Computer Science 2021-12-06 Yang Li , Yuichi Tanaka

While Graph Neural Networks (GNNs) excel on graph-structured data, their performance is fundamentally limited by the quality of the observed graph, which often contains noise, missing links, or structural properties misaligned with GNNs'…

Machine Learning · Computer Science 2026-01-14 Hao Deng , Bo Liu

Interactive single-image segmentation is ubiquitous in the scientific and commercial imaging software. In this work, we focus on the single-image segmentation problem only with some seeds such as scribbles. Inspired by the dynamic receptive…

Computer Vision and Pattern Recognition · Computer Science 2021-07-13 Xin Sun , Changrui Chen , Xiaorui Wang , Junyu Dong , Huiyu Zhou , Sheng Chen

Community detection can reveal the underlying structure and patterns of complex networks, identify sets of nodes with specific functions or similar characteristics, and study the evolution process and development trends of networks. Despite…

Social and Information Networks · Computer Science 2024-12-05 Jiaqi Yao , Lewis Mitchell

Geometric Deep Learning has recently attracted significant interest in a wide range of machine learning fields, including document analysis. The application of Graph Neural Networks (GNNs) has become crucial in various document-related…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Andrea Gemelli , Sanket Biswas , Enrico Civitelli , Josep Lladós , Simone Marinai

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

In this paper, we propose an efficient multi-level convolution architecture for 3D visual grounding. Conventional methods are difficult to meet the requirements of real-time inference due to the two-stage or point-based architecture.…

Computer Vision and Pattern Recognition · Computer Science 2025-03-12 Wenxuan Guo , Xiuwei Xu , Ziwei Wang , Jianjiang Feng , Jie Zhou , Jiwen Lu

In many binary segmentation tasks, most CNNs-based methods use a U-shape encoder-decoder network as their basic structure. They ignore two key problems when the encoder exchanges information with the decoder: one is the lack of interference…

Computer Vision and Pattern Recognition · Computer Science 2024-05-06 Xiaoqi Zhao , Youwei Pang , Lihe Zhang , Huchuan Lu , Lei Zhang

Admittedly, Graph Convolution Network (GCN) has achieved excellent results on graph datasets such as social networks, citation networks, etc. However, softmax used as the decision layer in these frameworks is generally optimized with…

Machine Learning · Computer Science 2022-07-19 Xuelong Li , Ziheng Jiao , Hongyuan Zhang , Rui Zhang

The objective of graph coarsening is to generate smaller, more manageable graphs while preserving key information of the original graph. Previous work were mainly based on the perspective of spectrum-preserving, using some predefined…

Artificial Intelligence · Computer Science 2025-06-25 Shuyin Xia , Guan Wang , Gaojie Xu , Sen Zhao , Guoyin Wang