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An accurate prediction of the translational and rotational motion of particles suspended in a fluid is only possible if a complete set of correlations for the force coefficients of fluid-particle interaction is known. The present study is…

Fluid Dynamics · Physics 2020-09-24 Martyna Minakowska , Thomas Richter , Sebastian Sager

The effectiveness of Spatio-temporal Graph Neural Networks (STGNNs) in time-series applications is often limited by their dependence on fixed, hand-crafted input graph structures. Motivated by insights from the Topological Data Analysis…

Machine Learning · Computer Science 2025-03-20 Viet The Nguyen , Duy Anh Pham , An Thai Le , Jans Peter , Gunther Gust

Prediction and discovery of new materials with desired properties are at the forefront of quantum science and technology research. A major bottleneck in this field is the computational resources and time complexity related to finding new…

One of the paramount challenges in neuroscience is to understand the dynamics of individual neurons and how they give rise to network dynamics when interconnected. Historically, researchers have resorted to graph theory, statistics, and…

Neurons and Cognition · Quantitative Biology 2019-02-08 Jean-Baptiste Bardin , Gard Spreemann , Kathryn Hess

Graph Neural Networks (GNNs) often struggle in preserving high-frequency components of nodal signals when dealing with directed graphs. Such components are crucial for modeling flow dynamics, without which a traditional GNN tends to treat a…

Machine Learning · Computer Science 2025-06-09 Haoyang Jiang , Jindong Wang , Xingquan Zhu , Yi He

We present mathematical models based on persistent homology for analyzing force distributions in particulate systems. We define three distinct chain complexes: digital, position, and interaction, motivated by different capabilities of…

Soft Condensed Matter · Physics 2014-09-02 M. Kramar , A. Goullet , L. Kondic , K. Mischaikow

Topological features based on persistent homology capture high-order structural information so as to augment graph neural network methods. However, computing extended persistent homology summaries remains slow for large and dense graphs and…

Machine Learning · Computer Science 2022-11-16 Zuoyu Yan , Tengfei Ma , Liangcai Gao , Zhi Tang , Yusu Wang , Chao Chen

Machine learning for point clouds has been attracting much attention, with many applications in various fields, such as shape recognition and material science. For enhancing the accuracy of such machine learning methods, it is often…

Machine Learning · Computer Science 2023-12-29 Naoki Nishikawa , Yuichi Ike , Kenji Yamanishi

Persistent homology analysis provides means to capture the connectivity structure of data sets in various dimensions. On the mathematical level, by defining a metric between the objects that persistence attaches to data sets, we can…

Machine Learning · Computer Science 2019-06-12 Henri Riihimäki , José Licón-Saláiz

Dense prediction tasks such as depth perception and semantic segmentation are important applications in computer vision that have a concrete topological description in terms of partitioning an image into connected components or estimating a…

Computer Vision and Pattern Recognition · Computer Science 2022-10-26 Deqing Fu , Bradley J. Nelson

Latent space matching, which consists of matching distributions of features in latent space, is a crucial component for tasks such as adversarial attacks and defenses, domain adaptation, and generative modelling. Metrics for probability…

Machine Learning · Computer Science 2025-03-05 Hiu-Tung Wong , Darrick Lee , Hong Yan

Topological Neural Networks (TNNs) incorporate higher-order relational information beyond pairwise interactions, enabling richer representations than Graph Neural Networks (GNNs). Concurrently, topological descriptors based on persistent…

Machine Learning · Computer Science 2024-06-06 Yogesh Verma , Amauri H Souza , Vikas Garg

To analyze the topological properties of the given discrete data, one needs to consider a continuous transform called filtration. Persistent homology serves as a tool to track changes of homology in the filtration. The outcome of the…

Optimization and Control · Mathematics 2024-10-08 Keunsu Kim , Jae-Hun Jung

Optimization, a key tool in machine learning and statistics, relies on regularization to reduce overfitting. Traditional regularization methods control a norm of the solution to ensure its smoothness. Recently, topological methods have…

Machine Learning · Computer Science 2020-11-11 Arnur Nigmetov , Aditi S. Krishnapriyan , Nicole Sanderson , Dmitriy Morozov

Graph Neural Networks (GNNs) have shown remarkable success across various scientific fields, yet their adoption in critical decision-making is often hindered by a lack of interpretability. Recently, intrinsically interpretable GNNs have…

Machine Learning · Computer Science 2025-10-07 Cheng Xin , Fan Xu , Xin Ding , Jie Gao , Jiaxin Ding

Rigid body interactions are fundamental to numerous scientific disciplines, but remain challenging to simulate due to their abrupt nonlinear nature and sensitivity to complex, often unknown environmental factors. These challenges call for…

Machine Learning · Computer Science 2025-07-28 Amaury Wei , Olga Fink

Topological defects in active polar fluids exhibit complex dynamics driven by internally generated stresses, reflecting the deep interplay between topology, flow, and non-equilibrium hydrodynamics. Feedback control offers a powerful means…

Soft Condensed Matter · Physics 2025-07-28 Abhinav Singh , Petros Koumoutsakos

Graph Neural Networks (GNNs) have become the standard for graph representation learning but remain vulnerable to structural perturbations. We propose a novel framework that integrates persistent homology features with stability…

Machine Learning · Computer Science 2025-12-17 Jelena Losic

Neural networks encode inputs as high-dimensional vectors, known as representations, that capture how models process data by encoding task-relevant structure and semantics. Representation alignment refers to the degree to which different…

Computational Geometry · Computer Science 2026-05-26 Xinyuan Yan , Rita Sevastjanova , Mennatallah El-Assady , Bei Wang

Simulating particle dynamics with high fidelity is crucial for solving real-world interaction and control tasks involving liquids in design, graphics, and robotics. Recently, data-driven approaches, particularly those based on graph neural…

Machine Learning · Computer Science 2025-12-01 Niteesh Midlagajni , Constantin A. Rothkopf
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