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To better understand the flows of ideas or information through social and biological systems, researchers develop maps that reveal important patterns in network flows. In practice, network flow models have implied memoryless first-order…

Social and Information Networks · Computer Science 2016-06-28 Christian Persson , Ludvig Bohlin , Daniel Edler , Martin Rosvall

We propose a framework using normalizing-flow based models, SELF-Referencing Embedded Strings, and multi-objective optimization that efficiently generates small molecules. With an initial training set of only 100 small molecules, FastFlows…

Chemical Physics · Physics 2022-02-01 Nathan C. Frey , Vijay Gadepally , Bharath Ramsundar

In the complex domain of microfluidics systems, analysing fluid flow patterns through random-shaped circular microchannels is significantly challenging task. Conventional approach of solving such problems using computational fluid dynamics…

Computational Engineering, Finance, and Science · Computer Science 2026-04-21 Ganesh Sahadeo Meshram , Suman Chakraborty , Nishant Sinha , Partha Pratim Chakrabarti

Discrete Fracture Network models are largely used for very large scale geological flow simulations. For this reason numerical methods require an investigation of tools for efficient parallel solutions on High Performance Computing systems.…

Numerical Analysis · Mathematics 2021-06-21 Stefano Berrone , Alice Raeli

Graph convolutional networks (GCNs) are \emph{discriminative models} that directly model the class posterior $p(y|\mathbf{x})$ for semi-supervised classification of graph data. While being effective, as a representation learning approach,…

Machine Learning · Computer Science 2023-05-30 Tianchun Wang , Farzaneh Mirzazadeh , Xiang Zhang , Jie Chen

Higher-order connectivity patterns such as small induced sub-graphs called graphlets (network motifs) are vital to understand the important components (modules/functional units) governing the configuration and behavior of complex networks.…

Social and Information Networks · Computer Science 2020-09-15 Aldo G. Carranza , Ryan A. Rossi , Anup Rao , Eunyee Koh

Flow-based data sets are necessary for evaluating network-based intrusion detection systems (NIDS). In this work, we propose a novel methodology for generating realistic flow-based network traffic. Our approach is based on Generative…

Networking and Internet Architecture · Computer Science 2019-03-07 Markus Ring , Daniel Schlör , Dieter Landes , Andreas Hotho

Fractures form the main pathways for flow in the subsurface within low-permeability rock. For this reason, accurately predicting flow and transport in fractured systems is vital for improving the performance of subsurface applications.…

Computational Physics · Physics 2018-03-14 S. Karra , D. O'Malley , J. D. Hyman , H. S. Viswanathan , G. Srinivasan

We introduce the Flow Stochastic Segmentation Network (Flow-SSN), a generative segmentation model family featuring discrete-time autoregressive and modern continuous-time flow variants. We prove fundamental limitations of the low-rank…

Computer Vision and Pattern Recognition · Computer Science 2025-07-28 Fabio De Sousa Ribeiro , Omar Todd , Charles Jones , Avinash Kori , Raghav Mehta , Ben Glocker

Temporal Graph Neural Networks (TGNNs) have gained growing attention for modeling and predicting structures in temporal graphs. However, existing TGNNs primarily focus on pairwise interactions while overlooking higher-order structures that…

Machine Learning · Computer Science 2025-05-22 Jingzhe Liu , Zhigang Hua , Yan Xie , Bingheng Li , Harry Shomer , Yu Song , Kaveh Hassani , Jiliang Tang

Many graph representation learning (GRL) problems are dynamic, with millions of edges added or removed per second. A fundamental workload in this setting is dynamic link prediction: using a history of graph updates to predict whether a…

We present a topology-based method for mesh-partitioning in three-dimensional discrete fracture network (DFN) simulations that take advantage of the intrinsic multi-level nature of a DFN. DFN models are used to simulate flow and transport…

Fluid simulation is an important research topic in computer graphics (CG) and animation in video games. Traditional methods based on Navier-Stokes equations are computationally expensive. In this paper, we treat fluid motion as point cloud…

Computer Vision and Pattern Recognition · Computer Science 2025-01-07 Yu Chen , Shuai Zheng , Nianyi Wang , Menglong Jin , Yan Chang

Clustering points in a vector space or nodes in a graph is a ubiquitous primitive in statistical data analysis, and it is commonly used for exploratory data analysis. In practice, it is often of interest to "refine" or "improve" a given…

Machine Learning · Computer Science 2022-02-03 K. Fountoulakis , M. Liu , D. F. Gleich , M. W. Mahoney

The derivation of upper bounds on data flows' worst-case traversal times is an important task in many application areas. For accurate bounds, model simplifications should be avoided even in large networks. Network Calculus (NC) provides a…

Networking and Internet Architecture · Computer Science 2024-01-17 Fabien Geyer , Alexander Scheffler , Steffen Bondorf

High-fidelity flow simulations are indispensable when analyzing systems exhibiting multiphase flow phenomena. The accuracy of multiphase flow simulations is strongly contingent upon the finest mesh resolution used to represent the…

Computational Physics · Physics 2023-04-05 Kumar Saurabh , Masado Ishii , Makrand A. Khanwale , Hari Sundar , Baskar Ganapathysubramanian

Modeling temporal multimodal data poses significant challenges in classification tasks, particularly in capturing long-range temporal dependencies and intricate cross-modal interactions. Audiovisual data, as a representative example, is…

Machine Learning · Computer Science 2025-08-05 Feng Xu , Hui Wang , Yuting Huang , Danwei Zhang , Zizhu Fan

Existing dominant methods for audio generation include Generative Adversarial Networks (GANs) and diffusion-based methods like Flow Matching. GANs suffer from slow convergence during training, while diffusion methods require multi-step…

Audio and Speech Processing · Electrical Eng. & Systems 2026-03-10 Zengwei Yao , Wei Kang , Han Zhu , Liyong Guo , Lingxuan Ye , Fangjun Kuang , Weiji Zhuang , Zhaoqing Li , Zhifeng Han , Long Lin , Daniel Povey

Recent advances in network science have resulted in two distinct research directions aimed at augmenting and enhancing representations for complex networks. The first direction, that of high-order modeling, aims to focus on connectivity…

Social and Information Networks · Computer Science 2023-04-03 Andrea Failla , Salvatore Citraro , Giulio Rossetti

Machine learning is gaining growing momentum in various recent models for the dynamic analysis of information flows in data communications networks. These preliminary models often rely on off-the-shelf learning models to predict from…

Machine Learning · Computer Science 2023-04-04 Xiangle Cheng , James He , Shihan Xiao , Yingxue Zhang , Zhitang Chen , Pascal Poupart , Fenglin Li