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Foundation models, such as Large Language Models (LLMs) or Large Vision Models (LVMs), have emerged as one of the most powerful tools in the respective fields. However, unlike text and image data, graph data do not have a definitive…

Machine Learning · Computer Science 2025-04-28 Lecheng Kong , Jiarui Feng , Hao Liu , Chengsong Huang , Jiaxin Huang , Yixin Chen , Muhan Zhang

Simulating trajectories of dynamical systems is a fundamental problem in a wide range of fields such as molecular dynamics, biochemistry, and pedestrian dynamics. Machine learning has become an invaluable tool for scaling physics-based…

Machine Learning · Computer Science 2026-05-28 Kiet Bennema ten Brinke , Koen Minartz , Vlado Menkovski

Understanding transport processes in complex nanoscale systems, like ionic conductivities in nanofluidic devices or heat conduction in low dimensional solids, poses the problem of examining fluctuations of currents within nonequilibrium…

Mesoscale and Nanoscale Physics · Physics 2021-08-04 David T. Limmer , Chloe Y. Gao , Anthony R. Poggioli

The paper presents a Graph Attention Convolutional Network (GACN) for flow reconstruction from very sparse data in time-varying geometries. The model incorporates a feature propagation algorithm as a preprocessing step to handle extremely…

Machine Learning · Computer Science 2024-11-14 Bogdan A. Danciu , Vito A. Pagone , Benjamin Böhm , Marius Schmidt , Christos E. Frouzakis

Experimental neuroscience increasingly requires tractable models for analyzing and predicting the behavior of neurons and networks. The generalized linear model (GLM) is an increasingly popular statistical framework for analyzing neural…

Neural and Evolutionary Computing · Computer Science 2014-04-09 Jonathon Shlens

Dynamic networks are used in a wide range of fields, including social network analysis, recommender systems, and epidemiology. Representing complex networks as structures changing over time allow network models to leverage not only…

Social and Information Networks · Computer Science 2021-06-15 Joakim Skarding , Bogdan Gabrys , Katarzyna Musial

Flow-guided Localization (FGL) enables the identification of spatial regions within the human body that contain an event of diagnostic interest. FGL does that by leveraging the passive movement of energy-constrained nanodevices circulating…

Emerging Technologies · Computer Science 2025-08-25 Mika Leo Hube , Filip Lemic , Ethungshan Shitiri , Gerard Calvo Bartra , Sergi Abadal , Xavier Costa Pérez

Symbolic regression (SR) is an area of interpretable machine learning that aims to identify mathematical expressions, often composed of simple functions, that best fit in a given set of covariates $X$ and response $y$. In recent years, deep…

Machine Learning · Computer Science 2023-12-04 Sida Li , Ioana Marinescu , Sebastian Musslick

Interpretable representation learning is a central challenge in modern machine learning, particularly in high-dimensional settings such as neuroimaging, genomics, and text analysis. Current methods often struggle to balance the competing…

Machine Learning · Statistics 2025-11-11 Brian B. Avants , Nicholas J. Tustison , James R Stone

Scalable and symmetry-consistent force-field models are essential for extending quantum-accurate simulations to large spatiotemporal scales. While descriptor-based neural networks can incorporate lattice symmetries through carefully…

Strongly Correlated Electrons · Physics 2026-03-03 Yunhao Fan , Gia-Wei Chern

Graph Neural Networks (GNNs) are widely adopted in advanced AI systems due to their capability of representation learning on graph data. Even though GNN explanation is crucial to increase user trust in the systems, it is challenging due to…

Machine Learning · Computer Science 2022-08-08 Tien-Cuong Bui , Wen-syan Li , Sang-Kyun Cha

Flow-guided localization using in-body nanodevices in the bloodstream is expected to be beneficial for early disease detection, continuous monitoring of biological conditions, and targeted treatment. The nanodevices face size and power…

Machine Learning · Computer Science 2024-08-21 Pablo Galván , Filip Lemic , Gerard Calvo Bartra , Sergi Abadal , Xavier Costa Pérez

Network alignment (NA) aims to find regions of similarities between molecular networks of different species. There exist two NA categories: local (LNA) or global (GNA). LNA finds small highly conserved network regions and produces a…

Molecular Networks · Quantitative Biology 2015-09-30 Lei Meng , Aaron Striegel , Tijana Milenkovic

Traffic forecasting is a core element of intelligent traffic monitoring system. Approaches based on graph neural networks have been widely used in this task to effectively capture spatial and temporal dependencies of road networks. However,…

Machine Learning · Computer Science 2022-03-10 Yaobin Xu , Weitang Liu , Zhongyi Jiang , Zixuan Xu , Tingyun Mao , Lili Chen , Mingwei Zhou

Graph Neural Networks (GNN) have shown a strong potential to be integrated into commercial products for network control and management. Early works using GNN have demonstrated an unprecedented capability to learn from different network…

Networking and Internet Architecture · Computer Science 2021-10-05 Miquel Ferriol-Galmés , José Suárez-Varela , Krzysztof Rusek , Pere Barlet-Ros , Albert Cabellos-Aparicio

Computer simulations are indispensable for analyzing complex systems, yet high-fidelity models often incur prohibitive computational costs. Multi-fidelity frameworks address this challenge by combining inexpensive low-fidelity simulations…

Methodology · Statistics 2025-10-28 Junoh Heo , Romain Boutelet , Chih-Li Sung

A novel constructive mathematical model based on the multifractal formalism in order to accurately characterizing the localized fluctuations present in the course of traffic flows today high-speed computer networks is presented. The…

Networking and Internet Architecture · Computer Science 2021-06-29 G. Millán , G. Lefranc , R. Osorio-Comparán

This letter proposes a graph neural network (GNN)-based framework for statistical precoder design that leverages model-based insights to compactly represent statistical knowledge, resulting in efficient, lightweight architectures. The…

Information Theory · Computer Science 2024-12-11 Nurettin Turan , Srikar Allaparapu , Donia Ben Amor , Benedikt Böck , Michael Joham , Wolfgang Utschick

Graph Neural Networks (GNNs) with numerical node features and graph structure as inputs have demonstrated superior performance on various supervised learning tasks with graph data. However the numerical node features utilized by GNNs are…

Machine Learning · Computer Science 2022-06-20 Jiuhai Chen , Jonas Mueller , Vassilis N. Ioannidis , Tom Goldstein , David Wipf

In recent years, Graph Neural Networks (GNNs) have been utilized for various applications ranging from drug discovery to network design and social networks. In many applications, it is impossible to observe some properties of the graph…

Machine Learning · Computer Science 2025-03-12 Moshe Eliasof , Md Shahriar Rahim Siddiqui , Carola-Bibiane Schönlieb , Eldad Haber