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The representation of atomic configurations for machine learning models has led to the development of numerous descriptors, often to describe the local environment of atoms. However, many of these representations are incomplete and/or…

Chemical Physics · Physics 2025-04-04 Alice E. A. Allen , Emily Shinkle , Roxana Bujack , Nicholas Lubbers

Conventional time series classification approaches based on bags of patterns or shapelets face significant challenges in dealing with a vast amount of feature candidates from high-dimensional multivariate data. In contrast, deep neural…

Machine Learning · Computer Science 2023-06-07 Raneen Younis , Abdul Hakmeh , Zahra Ahmadi

Convolutional Neural Networks (CNN) have become de fact state-of-the-art for the main computer vision tasks. However, due to the complex underlying structure their decisions are hard to understand which limits their use in some context of…

Computer Vision and Pattern Recognition · Computer Science 2021-07-02 Nina Schaaf , Omar de Mitri , Hang Beom Kim , Alexander Windberger , Marco F. Huber

This paper focuses on the discrimination capacity of aggregation functions: these are the permutation invariant functions used by graph neural networks to combine the features of nodes. Realizing that the most powerful aggregation functions…

Machine Learning · Computer Science 2019-06-06 Younjoo Seo , Andreas Loukas , Nathanaël Perraudin

Existing networks directly learn feature representations on 3D point clouds for shape analysis. We argue that 3D point clouds are highly redundant and hold irregular (permutation-invariant) structure, which makes it difficult to achieve…

Machine Learning · Computer Science 2020-07-21 Sameera Ramasinghe , Salman Khan , Nick Barnes , Stephen Gould

There has been an intense recent activity in embedding of very high dimensional and nonlinear data structures, much of it in the data science and machine learning literature. We survey this activity in four parts. In the first part we cover…

Machine Learning · Statistics 2022-09-01 Dag Tjøstheim , Martin Jullum , Anders Løland

Point cloud analysis has drawn broader attentions due to its increasing demands in various fields. Despite the impressive performance has been achieved on several databases, researchers neglect the fact that the orientation of those point…

Computer Vision and Pattern Recognition · Computer Science 2019-11-07 Xiao Sun , Zhouhui Lian , Jianguo Xiao

Flows in networks (or graphs) play a significant role in numerous computer vision tasks. The scalar-valued edges in these graphs often lead to a loss of information and thereby to limitations in terms of expressiveness. For example,…

Computer Vision and Pattern Recognition · Computer Science 2023-05-16 Viktoria Ehm , Daniel Cremers , Florian Bernard

The emergence of Graph Convolutional Network (GCN) has greatly boosted the progress of graph learning. However, two disturbing factors, noise and redundancy in graph data, and lack of interpretation for prediction results, impede further…

Machine Learning · Computer Science 2021-03-23 Junchi Yu , Tingyang Xu , Yu Rong , Yatao Bian , Junzhou Huang , Ran He

Graph convolutional networks (GCNs) have shown the powerful ability in text structure representation and effectively facilitate the task of text classification. However, challenges still exist in adapting GCN on learning discriminative…

Machine Learning · Computer Science 2019-12-02 Xueya Zhang , Tong Zhang , Wenting Zhao , Zhen Cui , Jian Yang

Convolutional neural networks (CNN) have made significant advances in hyperspectral image (HSI) classification. However, standard convolutional kernel neglects the intrinsic connections between data points, resulting in poor region…

Computer Vision and Pattern Recognition · Computer Science 2020-01-22 Tinghuai Wang , Guangming Wang , Kuan Eeik Tan , Donghui Tan

This paper follows cognitive studies to investigate a graph representation for sketches, where the information of strokes, i.e., parts of a sketch, are encoded on vertices and information of inter-stroke on edges. The resultant graph…

Computer Vision and Pattern Recognition · Computer Science 2022-04-29 Sheng Cheng , Yi Ren , Yezhou Yang

Convolutional Neural Network (CNN) is a very powerful approach to extract discriminative local descriptors for effective image search. Recent work adopts fine-tuned strategies to further improve the discriminative power of the descriptors.…

Computer Vision and Pattern Recognition · Computer Science 2017-11-28 Tuan Hoang , Thanh-Toan Do , Dang-Khoa Le Tan , Ngai-Man Cheung

Graph similarity measurement, which computes the distance/similarity between two graphs, arises in various graph-related tasks. Recent learning-based methods lack interpretability, as they directly transform interaction information between…

Machine Learning · Computer Science 2022-09-19 Zixun Lan , Binjie Hong , Ye Ma , Fei Ma

Convolutional neural networks (CNNs) have been applied to learn spatial features for high-resolution (HR) synthetic aperture radar (SAR) image classification. However, there has been little work on integrating the unique statistical…

Computer Vision and Pattern Recognition · Computer Science 2022-05-04 Wenkai Liang , Yan Wu , Ming Li , Peng Zhang , Yice Cao , Xin Hu

A large driver of the complexity of graph learning is the interplay between structure and features. When analyzing the expressivity of graph neural networks, however, existing approaches ignore features in favor of structure, making it…

Machine Learning · Computer Science 2026-03-04 Martin Carrasco , Olga Zaghen , Kavir Sumaraj , Erik Bekkers , Bastian Rieck

Given a stream of heterogeneous graphs containing different types of nodes and edges, how can we spot anomalous ones in real-time while consuming bounded memory? This problem is motivated by and generalizes from its application in security…

Social and Information Networks · Computer Science 2016-02-23 Emaad A. Manzoor , Sadegh Momeni , Venkat N. Venkatakrishnan , Leman Akoglu

Spatial transcriptomics (ST) technologies enable gene expression profiling with spatial resolution, offering unprecedented insights into tissue organization and disease heterogeneity. However, current analysis methods often struggle with…

Unordered feature sets are a nonstandard data structure that traditional neural networks are incapable of addressing in a principled manner. Providing a concatenation of features in an arbitrary order may lead to the learning of spurious…

Machine Learning · Computer Science 2017-09-12 Andrew Gardner , Jinko Kanno , Christian A. Duncan , Rastko R. Selmic

Graph Neural Networks (GNNs) face fundamental limitations in expressivity and capturing structural heterogeneity. Standard message-passing architectures are constrained by the 1-dimensional Weisfeiler-Leman (1-WL) test, unable to…

Machine Learning · Computer Science 2026-05-19 Asela Hevapathige , Ahad N. Zehmakan , Asiri Wijesinghe , Saman Halgamuge