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Graph convolutional networks (GCNs) and their variants have achieved great success in dealing with graph-structured data. Nevertheless, it is well known that deep GCNs suffer from the over-smoothing problem, where node representations tend…

Machine Learning · Computer Science 2022-04-22 Wei Huang , Yayong Li , Weitao Du , Jie Yin , Richard Yi Da Xu , Ling Chen , Miao Zhang

A recent trend in explainable AI research has focused on surrogate modeling, where neural networks are approximated as simpler ML algorithms such as kernel machines. A second trend has been to utilize kernel functions in various…

Machine Learning · Computer Science 2024-03-13 Andrew Engel , Zhichao Wang , Natalie S. Frank , Ioana Dumitriu , Sutanay Choudhury , Anand Sarwate , Tony Chiang

Establishing correspondence between shapes is a fundamental problem in geometry processing, arising in a wide variety of applications. The problem is especially difficult in the setting of non-isometric deformations, as well as in the…

Computer Vision and Pattern Recognition · Computer Science 2016-05-23 Davide Boscaini , Jonathan Masci , Emanuele Rodolà , Michael M. Bronstein

Real-world heterogeneous graphs are inherently noisy and usually not in the optimal graph structures for downstream tasks, which often adversely affects the performance of GRL models in downstream tasks. Although Graph Structure Learning…

Machine Learning · Computer Science 2026-04-08 He Zhao , Zhiwei Zeng , Yongwei Wang , Chunyan Miao

Graph Neural Networks (GNNs) have achieved promising performance in a variety of graph-focused tasks. Despite their success, however, existing GNNs suffer from two significant limitations: a lack of interpretability in their results due to…

Machine Learning · Statistics 2024-11-19 Wenzhuo Zhou , Annie Qu , Keiland W. Cooper , Norbert Fortin , Babak Shahbaba

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…

Network tomography is a crucial problem in network monitoring, where the observable path performance metric values are used to infer the unobserved ones, making it essential for tasks such as route selection, fault diagnosis, and traffic…

Machine Learning · Computer Science 2025-02-25 Yuntong Hu , Junxiang Wang , Liang Zhao

In order to better understand feature learning in neural networks, we propose a framework for understanding linear models in tangent feature space where the features are allowed to be transformed during training. We consider linear…

Machine Learning · Computer Science 2024-02-22 Daniel LeJeune , Sina Alemohammad

As its width tends to infinity, a deep neural network's behavior under gradient descent can become simplified and predictable (e.g. given by the Neural Tangent Kernel (NTK)), if it is parametrized appropriately (e.g. the NTK…

Machine Learning · Computer Science 2022-07-18 Greg Yang , Edward J. Hu

Although deep learning approaches have had tremendous success in image, video and audio processing, computer vision, and speech recognition, their applications to three-dimensional (3D) biomolecular structural data sets have been hindered…

Quantitative Methods · Quantitative Biology 2017-11-01 Zixuan Cang , Guo-Wei Wei

Topological Deep Learning seeks to enhance the predictive performance of neural network models by harnessing topological structures in input data. Topological neural networks operate on spaces such as cell complexes and hypergraphs, that…

Deep Neural Networks (DNNs) can be represented as graphs whose links and vertices iteratively process data and solve tasks sub-optimally. Complex Network Theory (CNT), merging statistical physics with graph theory, provides a method for…

Machine Learning · Computer Science 2024-04-19 Emanuele La Malfa , Gabriele La Malfa , Giuseppe Nicosia , Vito Latora

While Graph Neural Network (GNN) has shown superiority in learning node representations of homogeneous graphs, leveraging GNN on heterogeneous graphs remains a challenging problem. The dominating reason is that GNN learns node…

Social and Information Networks · Computer Science 2020-09-22 Ziyue Qiao , Pengyang Wang , Yanjie Fu , Yi Du , Pengfei Wang , Yuanchun Zhou

We present simplicial neural networks (SNNs), a generalization of graph neural networks to data that live on a class of topological spaces called simplicial complexes. These are natural multi-dimensional extensions of graphs that encode not…

Machine Learning · Computer Science 2020-12-29 Stefania Ebli , Michaël Defferrard , Gard Spreemann

Graph neural networks (GNNs) based on message passing between neighboring nodes are known to be insufficient for capturing long-range interactions in graphs. In this project we study hierarchical message passing models that leverage a…

Machine Learning · Computer Science 2021-08-17 Ladislav Rampášek , Guy Wolf

The topological (or graph) structures of real-world networks are known to be predictive of multiple dynamic properties of the networks. Conventionally, a graph structure is represented using an adjacency matrix or a set of hand-crafted…

Social and Information Networks · Computer Science 2016-10-21 Cheng Li , Xiaoxiao Guo , Qiaozhu Mei

Graph neural networks (GNNs) leverage message passing mechanisms to learn the topological features of graph data. Traditional GNNs learns node features in a spatial domain unrelated to the topology, which can hardly ensure topological…

Machine Learning · Computer Science 2025-05-30 Juwei Yue , Haikuo Li , Jiawei Sheng , Xiaodong Li , Taoyu Su , Tingwen Liu , Li Guo

We focus on the utilisation of reactive trajectory imitation controllers for goal-directed mobile robot navigation. We propose a topological navigation graph (TNG) - an imitation-learning-based framework for navigating through environments…

Robotics · Computer Science 2021-05-17 Povilas Daniusis , Shubham Juneja , Lukas Valatka , Linas Petkevicius

Foundation models excel at language, where sentences become tokens, and vision, where images become pixels, because both reduce to discrete symbols on a shared, fixed grid. Knowledge Graphs share the discreteness, but not the geometry.…

Artificial Intelligence · Computer Science 2026-05-08 Kossi Amouzouvi , Robert Wardenga , Jens Lehmann , Sahar Vahdati

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