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Graph-structured data provide a comprehensive description of complex systems, encompassing not only the interactions among nodes but also the intrinsic features that characterize these nodes. These features play a fundamental role in the…

Physics and Society · Physics 2023-11-27 Roya Aliakbarisani , M. Ángeles Serrano , Marián Boguñá

Hyperbolic neural networks (HNNs) have been proved effective in modeling complex data structures. However, previous works mainly focused on the Poincar\'e ball model and the hyperboloid model as coordinate representations of the hyperbolic…

Machine Learning · Computer Science 2024-10-23 Yidan Mao , Jing Gu , Marcus C. Werner , Dongmian Zou

Hamiltonian learning (HL), enabling precise estimation of system parameters and underlying dynamics, plays a critical role in characterizing quantum systems. However, conventional HL methods face challenges in noise robustness and resource…

Quantum Physics · Physics 2025-11-07 Jie Liu , Xin Wang

Geometric deep learning (GDL) models have demonstrated a great potential for the analysis of non-Euclidian data. They are developed to incorporate the geometric and topological information of non-Euclidian data into the end-to-end deep…

Machine Learning · Computer Science 2023-06-26 Cong Shen , Xiang Liu , Jiawei Luo , Kelin Xia

Many graph neural networks have been developed to learn graph representations in either Euclidean or hyperbolic space, with all nodes' representations embedded in a single space. However, a graph can have hyperbolic and Euclidean geometries…

Machine Learning · Computer Science 2023-03-06 See Hian Lee , Feng Ji , Wee Peng Tay

Knowledge hypergraphs generalize knowledge graphs using hyperedges to connect multiple entities and depict complicated relations. Existing methods either transform hyperedges into an easier-to-handle set of binary relations or view…

Machine Learning · Computer Science 2024-12-18 Mengfan Li , Xuanhua Shi , Chenqi Qiao , Teng Zhang , Hai Jin

Graph neural networks (GNNs), as the de-facto model class for representation learning on graphs, are built upon the multi-layer perceptrons (MLP) architecture with additional message passing layers to allow features to flow across nodes.…

Machine Learning · Computer Science 2023-08-07 Chenxiao Yang , Qitian Wu , Jiahua Wang , Junchi Yan

Various neuroimaging studies suffer from small sample size problem which often limit their reliability. Meta-analysis addresses this challenge by aggregating findings from different studies to identify consistent patterns of brain activity.…

Machine Learning · Computer Science 2025-11-27 Seunghun Baek , Jaejin Lee , Jaeyoon Sim , Minjae Jeong , Won Hwa Kim

Slinky, a helical elastic rod, is a seemingly simple structure with unusual mechanical behavior; for example, it can walk down a flight of stairs under its own weight. Taking Slinky as a test-case, we propose a physics-informed deep…

Computational Physics · Physics 2023-01-30 Qiaofeng Li , Tianyi Wang , Vwani Roychowdhury , M. Khalid Jawed

Neural networks (NNs) have emerged as a state-of-the-art method for modeling nonlinear systems in model predictive control (MPC). However, the robustness of NNs, in terms of sensitivity to small input perturbations, remains a critical…

Systems and Control · Electrical Eng. & Systems 2023-08-29 Wallace Tan Gian Yion , Zhe Wu

Implicit Graph Neural Networks (GNNs) have achieved significant success in addressing graph learning problems recently. However, poorly designed implicit GNN layers may have limited adaptability to learn graph metrics, experience…

Machine Learning · Computer Science 2024-02-16 Guoji Fu , Mohammed Haroon Dupty , Yanfei Dong , Lee Wee Sun

Graph Neural Networks (GNNs) often assume strong homophily for graph classification, seldom considering heterophily, which means connected nodes tend to have different class labels and dissimilar features. In real-world scenarios, graphs…

Machine Learning · Computer Science 2024-05-10 Jiayi Yang , Sourav Medya , Wei Ye

Graph Neural Networks (GNNs) are emerging machine learning models on graphs. Although sufficiently deep GNNs are shown theoretically capable of fully preserving graph structures, most existing GNN models in practice are shallow and…

Machine Learning · Computer Science 2020-06-09 Ziwei Zhang , Peng Cui , Jian Pei , Xin Wang , Wenwu Zhu

Graph Neural Networks (GNNs) have emerged as a prominent research topic in the field of machine learning. Existing GNN models are commonly categorized into two types: spectral GNNs, which are designed based on polynomial graph filters, and…

Machine Learning · Computer Science 2023-09-01 Guanyu Cui , Zhewei Wei

Simulating nonlinear reaction-diffusion dynamics on complex, non-Euclidean manifolds remains a fundamental challenge in computational morphogenesis, constrained by high-fidelity mesh generation costs and symplectic drift in discrete…

Machine Learning · Computer Science 2026-03-24 Julian Evan Chrisnanto , Salsabila Rahma Alia , Nurfauzi Fadillah , Yulison Herry Chrisnanto

Recent years have seen the vast potential of Graph Neural Networks (GNN) in many fields where data is structured as graphs (e.g., chemistry, recommender systems). In particular, GNNs are becoming increasingly popular in the field of…

Despite the recent success of graph neural networks (GNN), common architectures often exhibit significant limitations, including sensitivity to oversmoothing, long-range dependencies, and spurious edges, e.g., as can occur as a result of…

Machine Learning · Computer Science 2021-12-06 Yongyi Yang , Tang Liu , Yangkun Wang , Jinjing Zhou , Quan Gan , Zhewei Wei , Zheng Zhang , Zengfeng Huang , David Wipf

Invertible neural networks (INNs) are neural network architectures with invertibility by design. Thanks to their invertibility and the tractability of Jacobian, INNs have various machine learning applications such as probabilistic modeling,…

Machine Learning · Computer Science 2022-04-18 Isao Ishikawa , Takeshi Teshima , Koichi Tojo , Kenta Oono , Masahiro Ikeda , Masashi Sugiyama

Recent research has shown that alignment between the structure of graph data and the geometry of an embedding space is crucial for learning high-quality representations of the data. The uniform geometry of Euclidean and hyperbolic spaces…

Machine Learning · Computer Science 2023-06-27 Wei Zhao , Federico Lopez , J. Maxwell Riestenberg , Michael Strube , Diaaeldin Taha , Steve Trettel

Deep neural networks have achieved great success in the last decade. When designing neural networks to handle the ubiquitous geometric data such as point clouds and graphs, it is critical that the model can maintain invariance towards…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Ziwei Zhang , Xin Wang , Zeyang Zhang , Peng Cui , Wenwu Zhu