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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…

物理与社会 · 物理学 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…

机器学习 · 计算机科学 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…

量子物理 · 物理学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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.…

机器学习 · 计算机科学 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.…

机器学习 · 计算机科学 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…

计算物理 · 物理学 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…

系统与控制 · 电气工程与系统科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

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…

机器学习 · 计算机科学 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,…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 2025-10-28 Ziwei Zhang , Xin Wang , Zeyang Zhang , Peng Cui , Wenwu Zhu