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In recent years, knowledge graph embedding models have been successfully applied in the transductive setting to tackle various challenging tasks including link prediction, and query answering. Yet, the transductive setting does not allow…

Machine Learning · Computer Science 2024-10-10 Caglar Demir , N'Dah Jean Kouagou , Arnab Sharma , Axel-Cyrille Ngonga Ngomo

Despite recent advances of data acquisition and algorithms development, machine learning (ML) faces tremendous challenges to being adopted in practical catalyst design, largely due to its limited generalizability and poor explainability.…

Chemical Physics · Physics 2021-11-17 Shih-Han Wang , Hemanth Somarajan Pillai , Siwen Wang , Luke E. K. Achenie , Hongliang Xin

Integrated interpretability without sacrificing the prediction accuracy of decision making algorithms has the potential of greatly improving their value to the user. Instead of assigning a label to an image directly, we propose to learn…

Machine Learning · Computer Science 2021-04-13 Stephan Alaniz , Diego Marcos , Bernt Schiele , Zeynep Akata

Interpretable brain network models for disease prediction are of great value for the advancement of neuroscience. GNNs are promising to model complicated network data, but they are prone to overfitting and suffer from poor interpretability,…

Machine Learning · Computer Science 2021-07-13 Hejie Cui , Wei Dai , Yanqiao Zhu , Xiaoxiao Li , Lifang He , Carl Yang

Network embedding has attracted an increasing attention over the past few years. As an effective approach to solve graph mining problems, network embedding aims to learn a low-dimensional feature vector representation for each node of a…

Social and Information Networks · Computer Science 2020-08-10 Xiao Shen , Fu-Lai Chung

Deep learning models exhibit limited generalizability across different domains. Specifically, transferring knowledge from available entangled domain features(source/target domain) and categorical features to new unseen categorical features…

Computer Vision and Pattern Recognition · Computer Science 2020-03-03 Qingjie Meng , Daniel Rueckert , Bernhard Kainz

Deep learning is computationally intensive, with significant efforts focused on reducing arithmetic complexity, particularly regarding energy consumption dominated by data movement. While existing literature emphasizes inference, training…

Machine Learning · Statistics 2025-06-09 Van Minh Nguyen , Cristian Ocampo , Aymen Askri , Louis Leconte , Ba-Hien Tran

Tabular datasets with low-sample-size or many variables are prevalent in biomedicine. Practitioners in this domain prefer linear or tree-based models over neural networks since the latter are harder to interpret and tend to overfit when…

Machine Learning · Computer Science 2022-02-09 Junchen Yang , Ofir Lindenbaum , Yuval Kluger

The rapid expansion of Internet of Things (IoT) ecosystems has led to increasingly complex and heterogeneous network topologies. Traditional network monitoring and visualization tools rely on aggregated metrics or static representations,…

Physics-informed neural networks (PINNs) provide a powerful framework for learning governing equations of dynamical systems from data. Biologically-informed neural networks (BINNs) are a variant of PINNs that preserve the known differential…

Machine Learning · Computer Science 2026-04-21 William Lavery , Jodie A. Cochrane , Christian Olesen , Dagim S. Tadele , John T. Nardini , Sara Hamis

Modelling information from complex systems such as humans social interaction or words co-occurrences in our languages can help to understand how these systems are organized and function. Such systems can be modelled by networks, and network…

Computation and Language · Computer Science 2024-12-12 Thibault Prouteau , Nicolas Dugué , Simon Guillot

Motivation: Biological data and knowledge bases increasingly rely on Semantic Web technologies and the use of knowledge graphs for data integration, retrieval and federated queries. In the past years, feature learning methods that are…

Quantitative Methods · Quantitative Biology 2017-05-01 Mona Alshahrani , Mohammed Asif Khan , Omar Maddouri , Akira R Kinjo , Núria Queralt-Rosinach , Robert Hoehndorf

State-of-the-art brain graph analysis methods fail to fully encode the small-world architecture of brain graphs (accompanied by the presence of hubs and functional modules), and therefore lack biological plausibility to some extent. This…

Machine Learning · Computer Science 2025-02-14 Ciyuan Peng , Yuelong Huang , Qichao Dong , Shuo Yu , Feng Xia , Chengqi Zhang , Yaochu Jin

Traditional network embedding primarily focuses on learning a continuous vector representation for each node, preserving network structure and/or node content information, such that off-the-shelf machine learning algorithms can be easily…

Social and Information Networks · Computer Science 2023-01-02 Daokun Zhang , Jie Yin , Xingquan Zhu , Chengqi Zhang

Complex systems can be effectively modeled via graphs that encode networked interactions, where relations between entities or nodes are often quantified by signed edge weights, e.g., promotion/inhibition in gene regulatory networks, or…

Optimization and Control · Mathematics 2024-04-05 Anqi Dong , Can Chen , Tryphon T. Georgiou

Differentiable inductive logic programming (ILP) techniques have proven effective at finding approximate rule-based solutions to link prediction and node classification problems on knowledge graphs; however, the common assumption of…

Artificial Intelligence · Computer Science 2025-08-12 Blair Johnson , Clayton Kerce , Faramarz Fekri

Graph Nerual Networks (GNNs) are effective models in graph embedding. It extracts shallow features and neighborhood information by aggregating neighbor information to learn the embedding representation of different nodes. However, the local…

Social and Information Networks · Computer Science 2023-12-14 Kejia Zhang

We consider structure discovery of undirected graphical models from observational data. Inferring likely structures from few examples is a complex task often requiring the formulation of priors and sophisticated inference procedures.…

Machine Learning · Statistics 2017-08-04 Eugene Belilovsky , Kyle Kastner , Gaël Varoquaux , Matthew Blaschko

Contemporary wisdom based on empirical studies suggests that standard recurrent neural networks (RNNs) do not perform well on tasks requiring long-term memory. However, precise reasoning for this behavior is still unknown. This paper…

Machine Learning · Computer Science 2021-01-21 Melikasadat Emami , Mojtaba Sahraee-Ardakan , Parthe Pandit , Sundeep Rangan , Alyson K. Fletcher

Biological systems are governed by structured molecular interactions, where pathways, regulatory circuits, and functional gene relationships shape cellular behavior and disease progression. Much of this knowledge is naturally represented as…

Machine Learning · Computer Science 2026-05-26 Yuwei Xue , Sakib Mostafa , James Zou , Joseph Liao , Maximilian Diehn , Ash A. Alizadeh , Lei Xing , Md. Tauhidul Islam
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