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Interactions between biomolecules, electrons and protons are essential to many fundamental processes sustaining life. It is therefore of interest to build mathematical models of these bioelectrical processes not only to enhance…

Molecular Networks · Quantitative Biology 2020-12-08 Peter J. Gawthrop , Michael Pan

Energy-based models for discrete domains, such as graphs, explicitly capture relative likelihoods, naturally enabling composable probabilistic inference tasks like conditional generation or enforcing constraints at test-time. However,…

We present a comprehensive extension of the latent position network model known as the random dot product graph to accommodate multiple graphs -- both undirected and directed -- which share a common subset of nodes, and propose a method for…

Machine Learning · Statistics 2021-01-26 Andrew Jones , Patrick Rubin-Delanchy

In this work, we study the utility of graph embeddings to generate latent user representations for trust-based collaborative filtering. In a cold-start setting, on three publicly available datasets, we evaluate approaches from four method…

Social and Information Networks · Computer Science 2021-02-02 Tomislav Duricic , Hussain Hussain , Emanuel Lacic , Dominik Kowald , Denis Helic , Elisabeth Lex

In recent years there has been an increased interest in statistical analysis of data with multiple types of relations among a set of entities. Such multi-relational data can be represented as multi-layer graphs where the set of vertices…

Machine Learning · Statistics 2017-04-27 Subhadeep Paul , Yuguo Chen

DNA sequence classification requires not only high predictive accuracy but also the ability to uncover latent site interactions, combinatorial regulation, and epistasis-like higher-order dependencies. Although the standard Transformer…

Machine Learning · Computer Science 2026-03-30 Zhixuan Cao , Yishu Xu , Xuang WU

Learning faithful graph representations as sets of vertex embeddings has become a fundamental intermediary step in a wide range of machine learning applications. We propose the systematic use of symmetric spaces in representation learning,…

Machine Learning · Computer Science 2021-06-10 Federico López , Beatrice Pozzetti , Steve Trettel , Michael Strube , Anna Wienhard

Microbiome sample representation to input into LLMs is essential for downstream tasks such as phenotype prediction and environmental classification. While prior studies have explored embedding-based representations of each microbiome…

Machine Learning · Computer Science 2025-08-18 Hyunwoo Yoo , Gail Rosen

Graphical models are a rich language for describing high-dimensional distributions in terms of their dependence structure. While there are algorithms with provable guarantees for learning undirected graphical models in a variety of…

Machine Learning · Computer Science 2018-11-07 Guy Bresler , Frederic Koehler , Ankur Moitra , Elchanan Mossel

We apply logic-based machine learning techniques to facilitate cellular engineering and drive biological discovery, based on comprehensive databases of metabolic processes called genome-scale metabolic network models (GEMs). Predicted host…

Artificial Intelligence · Computer Science 2024-11-14 Lun Ai , Stephen H. Muggleton , Shi-shun Liang , Geoff S. Baldwin

In most domains of network analysis researchers consider networks that arise in nature with weighted edges. Such networks are routinely dichotomized in the interest of using available methods for statistical inference with networks. The…

Methodology · Statistics 2016-11-10 James D. Wilson , Matthew J. Denny , Shankar Bhamidi , Skyler Cranmer , Bruce Desmarais

Graph embedding methods produce unsupervised node features from graphs that can then be used for a variety of machine learning tasks. Modern graphs, particularly in industrial applications, contain billions of nodes and trillions of edges,…

Machine Learning · Computer Science 2019-12-05 Adam Lerer , Ledell Wu , Jiajun Shen , Timothee Lacroix , Luca Wehrstedt , Abhijit Bose , Alex Peysakhovich

This paper introduces a refined graph encoder embedding method, enhancing the original graph encoder embedding through linear transformation, self-training, and hidden community recovery within observed communities. We provide the…

Social and Information Networks · Computer Science 2025-03-18 Cencheng Shen , Jonathan Larson , Ha Trinh , Carey E. Priebe

Graphs are a powerful tool for representing and analyzing unstructured, non-Euclidean data ubiquitous in the healthcare domain. Two prominent examples are molecule property prediction and brain connectome analysis. Importantly, recent works…

Machine Learning · Computer Science 2022-04-04 Kamilia Mullakaeva , Luca Cosmo , Anees Kazi , Seyed-Ahmad Ahmadi , Nassir Navab , Michael M. Bronstein

With the rapid development of biomedical software and hardware, a large amount of relational data interlinking genes, proteins, chemical components, drugs, diseases, and symptoms has been collected for modern biomedical research. Many…

Artificial Intelligence · Computer Science 2021-01-21 Yankai Chen , Yaozu Wu , Shicheng Ma , Irwin King

With the rising interest in graph representation learning, a variety of approaches have been proposed to effectively capture a graph's properties. While these approaches have improved performance in graph machine learning tasks compared to…

Machine Learning · Computer Science 2019-10-09 Antonia Gogoglou , C. Bayan Bruss , Keegan E. Hines

Knowledge bases, and their representations in the form of knowledge graphs (KGs), are naturally incomplete. Since scientific and industrial applications have extensively adopted them, there is a high demand for solutions that complete their…

Artificial Intelligence · Computer Science 2025-07-30 Vítor Lourenço , Aline Paes

Recent advances in machine learning research have produced powerful neural graph embedding methods, which learn useful, low-dimensional vector representations of network data. These neural methods for graph embedding excel in graph machine…

Physics and Society · Physics 2024-11-05 Sadamori Kojaku , Filippo Radicchi , Yong-Yeol Ahn , Santo Fortunato

Graph Neural Networks (GNNs) have shown success in various fields for learning from graph-structured data. This paper investigates the application of ensemble learning techniques to improve the performance and robustness of Graph Neural…

Machine Learning · Computer Science 2023-10-24 Zhen Hao Wong , Ling Yue , Quanming Yao

Estimation of Distribution Algorithms (EDAs) require flexible probability models that can be efficiently learned and sampled. Deep Boltzmann Machines (DBMs) are generative neural networks with these desired properties. We integrate a DBM…

Neural and Evolutionary Computing · Computer Science 2016-08-09 Malte Probst , Franz Rothlauf