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Unlike conventional "black-box" transformers with classical self-attention mechanism, we build a lightweight and interpretable transformer-like neural net by unrolling a mixed-graph-based optimization algorithm to forecast traffic with…

Machine Learning · Computer Science 2026-02-04 Ji Qi , Tam Thuc Do , Mingxiao Liu , Zhuoshi Pan , Yuzhe Li , Gene Cheung , H. Vicky Zhao

Biological pathways map gene-gene interactions that govern all human processes. Despite their importance, most ML models treat genes as unstructured tokens, discarding known pathway structure. The latest pathway-informed models capture…

Machine Learning · Computer Science 2025-09-03 Gavin Wong , Ping Shu Ho , Ivan Au Yeung , Ka Chun Cheung , Simon See

We propose a generic framework to describe classical Ising-like models defined on arbitrary graphs. The energy spectrum is shown to be the Hadamard transform of a suitably defined sparse "coding" vector associated with the graph. We expect…

Statistical Mechanics · Physics 2015-01-28 Rémy Mosseri

We undertake an extensive numerical investigation of the graph spectra of thousands regular graphs, a set of random Erd\"os-R\'enyi graphs, the two most popular types of complex networks and an evolving genetic network by using novel…

Information Theory · Computer Science 2015-01-27 Hector Zenil , Narsis A. Kiani , Jesper Tegnér

Heterogeneous graphs are pervasive in practical scenarios, where each graph consists of multiple types of nodes and edges. Representation learning on heterogeneous graphs aims to obtain low-dimensional node representations that could…

Machine Learning · Computer Science 2021-01-01 Le Yu , Leilei Sun , Bowen Du , Chuanren Liu , Weifeng Lv , Hui Xiong

In this paper we resolve the complexity of the isomorphism problem on all but finitely many of the graph classes characterized by two forbidden induced subgraphs. To this end we develop new techniques applicable for the structural and…

Discrete Mathematics · Computer Science 2014-11-10 Pascal Schweitzer

Graph neural networks (GNNs) have become a workhorse approach for learning from data defined over irregular domains, typically by implicitly assuming that the data structure is represented by a homophilic graph. However, recent works have…

Machine Learning · Computer Science 2024-09-16 Samuel Rey , Madeline Navarro , Victor M. Tenorio , Santiago Segarra , Antonio G. Marques

The focus is on the statistical analysis of matrix-valued time series, where data is collected over a network of sensors, typically at spatial locations, over time. Each sensor records a vector of features at each time point, creating a…

Machine Learning · Statistics 2026-05-05 Yiye Jiang , Jérémie Bigot , Sofian Maabout

A current goal in the graph neural network literature is to enable transformers to operate on graph-structured data, given their success on language and vision tasks. Since the transformer's original sinusoidal positional encodings (PEs)…

Machine Learning · Computer Science 2023-04-11 Patrick Soga , David Chiang

Predicting pedestrian motion trajectories is crucial for path planning and motion control of autonomous vehicles. Accurately forecasting crowd trajectories is challenging due to the uncertain nature of human motions in different…

Computer Vision and Pattern Recognition · Computer Science 2024-01-11 Yu Liu , Yuexin Zhang , Kunming Li , Yongliang Qiao , Stewart Worrall , You-Fu Li , He Kong

Biomedical networks (or graphs) are universal descriptors for systems of interacting elements, from molecular interactions and disease co-morbidity to healthcare systems and scientific knowledge. Advances in artificial intelligence,…

Machine Learning · Computer Science 2025-02-07 Michelle M. Li , Kexin Huang , Marinka Zitnik

We introduce a multi-allele Wright-Fisher model with non-recurrent, reversible mutation and directional selection. In this setting, the allele frequencies at a single locus track the path of a hybrid jump-diffusion process with state space…

Probability · Mathematics 2023-02-16 Ingemar Kaj , Carina F. Mugal , Rebekka Müller

We consider a problem of localizing a path-signal that evolves over time on a graph. A path-signal can be viewed as the trajectory of a moving agent on a graph in several consecutive time points. Combining dynamic programming and graph…

Signal Processing · Electrical Eng. & Systems 2018-11-14 Yaoqing Yang , Siheng Chen , Mohammad Ali Maddah-Ali , Pulkit Grover , Soummya Kar , Jelena Kovačević

Graph Neural Networks (GNNs) have emerged as powerful tools for learning from graph-structured data, leveraging message passing to diffuse information and update node representations. However, most efforts have suggested that native…

Machine Learning · Computer Science 2025-09-23 Sujia Huang , Lele Fu , Zhen Cui , Tong Zhang , Na Song , Bo Huang

Graph embedding algorithms are used to efficiently represent (encode) a graph in a low-dimensional continuous vector space that preserves the most important properties of the graph. One aspect that is often overlooked is whether the graph…

Machine Learning · Computer Science 2020-01-31 Zekarias T. Kefato , Nasrullah Sheikh , Alberto Montresor

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

Quantum Support Vector Machines (QSVM) is one of the most promising frameworks in quantum machine learning, yet their performance depends on the design of the feature map. Conventional approaches rely on fixed quantum circuits, which often…

Quantum Physics · Physics 2025-11-25 Nguyen Minh Duc , Vu Tuan Hai , Le Bin Ho , Tran Nguyen Lan

A scalable semi-supervised node classification method on graph-structured data, called GraphHop, is proposed in this work. The graph contains attributes of all nodes but labels of a few nodes. The classical label propagation (LP) method and…

Machine Learning · Computer Science 2021-01-08 Tian Xie , Bin Wang , C. -C. Jay Kuo

Homomorphically full graphs are those for which every homomorphic image is isomorphic to a subgraph. We extend the definition of homomorphically full to oriented graphs in two different ways. For the first of these, we show that…

Discrete Mathematics · Computer Science 2024-02-14 Thomas Bellitto , Christopher Duffy , Gary MacGillivray

We study invariants of virtual graphoids, which are virtual spatial graph diagrams with two distinguished degree-one vertices modulo graph Reidemeister moves applied away from the distinguished vertices. Generalizing previously known…

Combinatorics · Mathematics 2022-09-20 Neslihan Gügümcü , Louis H. Kauffman , Puttipong Pongtanapaisan