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Probabilistic graphical models combine the graph theory and probability theory to give a multivariate statistical modeling. They provide a unified description of uncertainty using probability and complexity using the graphical model.…

Machine Learning · Statistics 2011-11-30 Yang Zhou

Representation learning on graphs has been gaining attention due to its wide applicability in predicting missing links, and classifying and recommending nodes. Most embedding methods aim to preserve certain properties of the original graph…

Social and Information Networks · Computer Science 2019-09-13 Palash Goyal , Di Huang , Sujit Rokka Chhetri , Arquimedes Canedo , Jaya Shree , Evan Patterson

Network theory has proven to be a powerful tool in describing and analyzing systems by modelling the relations between their constituent objects. In recent years great progress has been made by augmenting `traditional' network theory.…

Data Analysis, Statistics and Probability · Physics 2016-06-03 Dominik Traxl , Niklas Boers , Jürgen Kurths

Supply chain network data is a valuable asset for businesses wishing to understand their ethical profile, security of supply, and efficiency. Possession of a dataset alone however is not a sufficient enabler of actionable decisions due to…

Machine Learning · Computer Science 2021-07-23 Ajmal Aziz , Edward Elson Kosasih , Ryan-Rhys Griffiths , Alexandra Brintrup

With the advances of data-driven machine learning research, a wide variety of prediction problems have been tackled. It has become critical to explore how machine learning and specifically deep learning methods can be exploited to analyse…

Machine Learning · Computer Science 2021-11-09 David Ahmedt-Aristizabal , Mohammad Ali Armin , Simon Denman , Clinton Fookes , Lars Petersson

Structure based ligand discovery is one of the most successful approaches for augmenting the drug discovery process. Currently, there is a notable shift towards machine learning (ML) methodologies to aid such procedures. Deep learning has…

Machine Learning · Statistics 2018-06-12 Marta M. Stepniewska-Dziubinska , Piotr Zielenkiewicz , Pawel Siedlecki

Applying network science approaches to investigate the functions and anatomy of the human brain is prevalent in modern medical imaging analysis. Due to the complex network topology, for an individual brain, mining a discriminative network…

Computer Vision and Pattern Recognition · Computer Science 2020-07-21 Wen Zhang , Liang Zhan , Paul Thompson , Yalin Wang

Wireless networks are inherently graph-structured, which can be utilized in graph representation learning to solve complex wireless network optimization problems. In graph representation learning, feature vectors for each entity in the…

Information Theory · Computer Science 2024-10-28 Maryam Mohsenivatani , Samad Ali , Vismika Ranasinghe , Nandana Rajatheva , Matti Latva-Aho

This paper presents a general graph representation learning framework called DeepGL for learning deep node and edge representations from large (attributed) graphs. In particular, DeepGL begins by deriving a set of base features (e.g.,…

Machine Learning · Statistics 2017-10-17 Ryan A. Rossi , Rong Zhou , Nesreen K. Ahmed

Deep learning approaches have produced substantial breakthroughs in fields such as image classification and natural language processing and are making rapid inroads in the area of protein design. Many generative models of proteins have been…

Machine Learning · Computer Science 2021-09-29 Alexey Strokach , Philip M. Kim

We give an overview of combinatorial methods to represent 3D data, such as graphs and meshes, from the viewpoint of their amenability to analysis using machine learning algorithms. We highlight pros and cons of various representations and…

Machine Learning · Computer Science 2024-08-19 Tomasz Prytuła

Graph neural networks (GNNs) have been used extensively for addressing problems in drug design and discovery. Both ligand and target molecules are represented as graphs with node and edge features encoding information about atomic elements…

Machine Learning · Computer Science 2021-10-14 Dhananjay Bhaskar , Jackson D. Grady , Michael A. Perlmutter , Smita Krishnaswamy

Dynamic graph learning has gained significant attention as it offers a powerful means to model intricate interactions among entities across various real-world and scientific domains. Notably, graphs serve as effective representations for…

Machine Learning · Computer Science 2024-01-17 Sanaz Hasanzadeh Fard

In recent years, Deep Learning methods have achieved state of the art performance in a vast range of machine learning tasks, including image classification and multilingual automatic text translation. These architectures are trained to…

Machine Learning · Computer Science 2020-12-15 Carlos Lassance

Graph based representation is widely used in visual tracking field by finding correct correspondences between target parts in consecutive frames. However, most graph based trackers consider pairwise geometric relations between local parts.…

Computer Vision and Pattern Recognition · Computer Science 2018-03-28 Dawei Du , Honggang Qi , Longyin Wen , Qi Tian , Qingming Huang , Siwei Lyu

Experimental determination of protein function is resource-consuming. As an alternative, computational prediction of protein function has received attention. In this context, protein structural classification (PSC) can help, by allowing for…

Molecular Networks · Quantitative Biology 2020-03-17 Khalique Newaz , Mahboobeh Ghalehnovi , Arash Rahnama , Panos J. Antsaklis , Tijana Milenkovic

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…

Machine Learning · Computer Science 2020-11-10 Emily Alsentzer , Samuel G. Finlayson , Michelle M. Li , Marinka Zitnik

Convolutional Neural Network (CNN)-based machine learning systems have made breakthroughs in feature extraction and image recognition tasks in two dimensions (2D). Although there is significant ongoing work to apply CNN technology to…

Computer Vision and Pattern Recognition · Computer Science 2018-02-26 Thomas Corcoran , Rafael Zamora-Resendiz , Xinlian Liu , Silvia Crivelli

Ubiquitous geometric objects can be precisely and efficiently represented as polyhedra. The transformation of a polyhedron into a vector, known as polyhedra representation learning, is crucial for manipulating these shapes with mathematical…

Computer Vision and Pattern Recognition · Computer Science 2025-02-20 Dazhou Yu , Genpei Zhang , Liang Zhao

One of the grand challenges of utilizing machine learning for the discovery of innovative new polymers lies in the difficulty of accurately representing the complex structures of polymeric materials. Although a wide array of hand-designed…

Materials Science · Physics 2022-05-30 Evan R. Antoniuk , Peggy Li , Bhavya Kailkhura , Anna M. Hiszpanski