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With the advent of high-throughput wet lab technologies the amount of protein interaction data available publicly has increased substantially, in turn spurring a plethora of computational methods for in silico knowledge discovery from this…

Molecular Networks · Quantitative Biology 2015-05-06 Sriganesh Srihari , Hon Wai Leong

Action recognition greatly benefits motion understanding in video analysis. Recurrent networks such as long short-term memory (LSTM) networks are a popular choice for motion-aware sequence learning tasks. Recently, a convolutional extension…

Computer Vision and Pattern Recognition · Computer Science 2019-08-27 Sebastian Agethen , Winston H. Hsu

GraphRT is a graph based deep learning model that predicts the retention time (RT) of peptides in liquid chromatography tandem mass spectrometry (LC MSMS) experiments. Each amino acid is represented as a graph, capturing its atomic and…

Biomolecules · Quantitative Biology 2024-02-06 Mark Drvodelic , Mingming Gong , Andrew I. Webb

Graph neural networks (GNNs) have achieved great success in many scenarios with graph-structured data. However, in many real applications, there are three issues when applying GNNs: graphs are unknown, nodes have noisy features, and graphs…

Machine Learning · Computer Science 2022-10-11 Yixiang Shan , Jielong Yang , Xing Liu , Yixing Gao , Hechang Chen , Shuzhi Sam Ge

Predicting DNA-protein binding is an important and classic problem in bioinformatics. Convolutional neural networks have outperformed conventional methods in modeling the sequence specificity of DNA-protein binding. However, none of the…

Genomics · Quantitative Biology 2021-06-04 Yuhang Guo , Xiao Luo , Liang Chen , Minghua Deng

We propose a method for gene expression based analysis of cancer phenotypes incorporating network biology knowledge through unsupervised construction of computational graphs. The structural construction of the computational graphs is driven…

Molecular Networks · Quantitative Biology 2020-10-02 Paul Scherer , Maja Trȩbacz , Nikola Simidjievski , Zohreh Shams , Helena Andres Terre , Pietro Liò , Mateja Jamnik

Computational approaches to drug discovery can reduce the time and cost associated with experimental assays and enable the screening of novel chemotypes. Structure-based drug design methods rely on scoring functions to rank and predict…

Machine Learning · Statistics 2020-10-19 Matthew Ragoza , Joshua Hochuli , Elisa Idrobo , Jocelyn Sunseri , David Ryan Koes

In recent years, there has been a surge of interest in developing deep learning methods for non-Euclidean structured data such as graphs. In this paper, we propose Dual-Primal Graph CNN, a graph convolutional architecture that alternates…

Although algebraic graph theory based models have been widely applied in physical modeling and molecular studies, they are typically incompetent in the analysis and prediction of biomolecular properties when compared with other quantitative…

Biomolecules · Quantitative Biology 2018-12-21 Duc Duy Nguyen , Guo-Wei Wei

Node classification in attributed graphs is an important task in multiple practical settings, but it can often be difficult or expensive to obtain labels. Active learning can improve the achieved classification performance for a given…

Machine Learning · Computer Science 2020-07-13 Florence Regol , Soumyasundar Pal , Yingxue Zhang , Mark Coates

Graph Neural Networks (GNNs) with attention have been successfully applied for learning visual feature matching. However, current methods learn with complete graphs, resulting in a quadratic complexity in the number of features. Motivated…

Computer Vision and Pattern Recognition · Computer Science 2023-03-20 Yan Shi , Jun-Xiong Cai , Yoli Shavit , Tai-Jiang Mu , Wensen Feng , Kai Zhang

Biological and cellular systems are often modeled as graphs in which vertices represent objects of interest (genes, proteins, drugs) and edges represent relational ties among these objects (binds-to, interacts-with, regulates). This…

Machine Learning · Statistics 2017-03-16 Jose Lugo-Martinez , Predrag Radivojac

We propose an effective method to improve Protein Function Prediction (PFP) utilizing hierarchical features of Gene Ontology (GO) terms. Our method consists of a language model for encoding the protein sequence and a Graph Convolutional…

Artificial Intelligence · Computer Science 2021-12-07 Kyudam Choi , Yurim Lee , Cheongwon Kim , Minsung Yoon

We propose an end-to-end-trainable attention module for convolutional neural network (CNN) architectures built for image classification. The module takes as input the 2D feature vector maps which form the intermediate representations of the…

Computer Vision and Pattern Recognition · Computer Science 2018-05-01 Saumya Jetley , Nicholas A. Lord , Namhoon Lee , Philip H. S. Torr

Timely detected anomalies in the chemical technological processes, as well as the earliest detection of the cause of the fault, significantly reduce the production cost in the industrial factories. Data on the state of the technological…

Artificial Intelligence · Computer Science 2022-10-21 Alexander Kovalenko , Vitaliy Pozdnyakov , Ilya Makarov

Graph Neural Networks (GNNs) have emerged as powerful tools for learning over graph-structured data, yet recent studies have shown that their performance gains are beginning to plateau. In many cases, well-established models such as GCN and…

Machine Learning · Computer Science 2026-02-13 Mohit Meena , Yash Punjabi , Abhishek A , Vishal Sharma , Mahesh Chandran

This paper studies semi-supervised graph classification, which is an important problem with various applications in social network analysis and bioinformatics. This problem is typically solved by using graph neural networks (GNNs), which…

Machine Learning · Computer Science 2022-05-24 Wei Ju , Junwei Yang , Meng Qu , Weiping Song , Jianhao Shen , Ming Zhang

Can neural networks learn to compare graphs without feature engineering? In this paper, we show that it is possible to learn representations for graph similarity with neither domain knowledge nor supervision (i.e.\ feature engineering or…

Machine Learning · Computer Science 2019-04-23 Rami Al-Rfou , Dustin Zelle , Bryan Perozzi

Inspired by recent advances in neural machine translation, that jointly align and translate using encoder-decoder networks equipped with attention, we propose an attentionbased LSTM model for human activity recognition. Our model jointly…

Computer Vision and Pattern Recognition · Computer Science 2017-09-01 Atousa Torabi , Leonid Sigal

Graph Neural Networks have shown excellent performance on semi-supervised classification tasks. However, they assume access to a graph that may not be often available in practice. In the absence of any graph, constructing k-Nearest Neighbor…

Machine Learning · Computer Science 2021-02-23 Vijay Lingam , Arun Iyer , Rahul Ragesh