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Random walk kernels have been introduced in seminal work on graph learning and were later largely superseded by kernels based on the Weisfeiler-Leman test for graph isomorphism. We give a unified view on both classes of graph kernels. We…

Machine Learning · Computer Science 2023-01-18 Nils M. Kriege

An increasing number of machine learning tasks deal with learning representations from set-structured data. Solutions to these problems involve the composition of permutation-equivariant modules (e.g., self-attention, or individual…

Machine Learning · Computer Science 2021-03-09 Navid Naderializadeh , Soheil Kolouri , Joseph F. Comer , Reed W. Andrews , Heiko Hoffmann

Many scientific problems require to process data in the form of geometric graphs. Unlike generic graph data, geometric graphs exhibit symmetries of translations, rotations, and/or reflections. Researchers have leveraged such inductive bias…

Machine Learning · Computer Science 2022-02-23 Jiaqi Han , Yu Rong , Tingyang Xu , Wenbing Huang

The combinatorial refinement techniques have proven to be an efficient approach to isomorphism testing for particular classes of graphs. If the number of refinement rounds is small, this puts the corresponding isomorphism problem in a…

Combinatorics · Mathematics 2024-09-17 Laurence Kluge

Propagation modeling is a crucial tool for successful wireless deployments and spectrum planning with the demand for high modeling accuracy continuing to grow. Recognizing that detailed knowledge of the physical environment (terrain and…

Machine Learning · Computer Science 2024-05-30 Jonathan Ethier , Mathieu Chateauvert

Geometric Problem Solving (GPS) poses a unique challenge for Multimodal Large Language Models (MLLMs), requiring not only the joint interpretation of text and diagrams but also iterative visuospatial reasoning. While existing approaches…

Artificial Intelligence · Computer Science 2026-03-26 Shichao Weng , Zhiqiang Wang , Yuhua Zhou , Rui Lu , Ting Liu , Zhiyang Teng , Xiaozhang Liu , Hanmeng Liu

Numerous subgraph-enhanced graph neural networks (GNNs) have emerged recently, provably boosting the expressive power of standard (message-passing) GNNs. However, there is a limited understanding of how these approaches relate to each other…

Machine Learning · Computer Science 2022-10-18 Chendi Qian , Gaurav Rattan , Floris Geerts , Christopher Morris , Mathias Niepert

A large variety of interacting complex systems are characterized by interactions occurring between more than two nodes. These systems are described by simplicial complexes. Simplicial complexes are formed by simplices (nodes, links,…

Physics and Society · Physics 2017-05-04 Ginestra Bianconi , Christoph Rahmede

We develop a unified framework for distributed inference, semantic communication, and exploration in spatial networks by integrating stochastic geometry with information geometry - a direction that has not been explored in prior literature.…

Information Theory · Computer Science 2025-08-26 Gourab Ghatak

Despite their proficiency in general tasks, Multi-modal Large Language Models (MLLMs) struggle with automatic Geometry Problem Solving (GPS), which demands understanding diagrams, interpreting symbols, and performing complex reasoning. This…

Computer Vision and Pattern Recognition · Computer Science 2025-01-13 Renqiu Xia , Mingsheng Li , Hancheng Ye , Wenjie Wu , Hongbin Zhou , Jiakang Yuan , Tianshuo Peng , Xinyu Cai , Xiangchao Yan , Bin Wang , Conghui He , Botian Shi , Tao Chen , Junchi Yan , Bo Zhang

Capitalizing on the intuitive premise that shape characteristics are more robust to perturbations, we bridge adversarial graph learning with the emerging tools from computational topology, namely, persistent homology representations of…

Machine Learning · Computer Science 2025-02-11 Naheed Anjum Arafat , Debabrota Basu , Yulia Gel , Yuzhou Chen

Geometric ability is a significant challenge for large language models (LLMs) due to the need for advanced spatial comprehension and abstract thinking. Existing datasets primarily evaluate LLMs on their final answers, but they cannot truly…

Computation and Language · Computer Science 2025-02-24 Xiaofeng Wang , Yiming Wang , Wenhong Zhu , Rui Wang

Graph Self-Supervised Learning (GSSL) provides a robust pathway for acquiring embeddings without expert labelling, a capability that carries profound implications for molecular graphs due to the staggering number of potential molecules and…

Machine Learning · Computer Science 2023-10-19 Hanchen Wang , Jean Kaddour , Shengchao Liu , Jian Tang , Joan Lasenby , Qi Liu

The coherent configuration $\mathsf{WL}(X)$ of a graph $X$ is the smallest coherent configuration on the vertices of $X$ that contains the edge set of $X$ as a relation. The aim of the paper is to study $\mathsf{WL}(X)$ when $X$ is a…

Combinatorics · Mathematics 2024-11-06 Jinzhuan Cai , Jin Guo , Alexander L. Gavrilyuk , Ilia Ponomarenko

Understanding geometry relies heavily on vision. In this work, we evaluate whether state-of-the-art vision language models (VLMs) can understand simple geometric concepts. We use a paradigm from cognitive science that isolates visual…

Computer Vision and Pattern Recognition · Computer Science 2025-03-07 Eliza Kosoy , Annya Dahmani , Andrew K. Lampinen , Iulia M. Comsa , Soojin Jeong , Ishita Dasgupta , Kelsey Allen

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological…

Machine Learning · Computer Science 2022-03-18 Max Horn , Edward De Brouwer , Michael Moor , Yves Moreau , Bastian Rieck , Karsten Borgwardt

We present a neighborhood similarity layer (NSL) which induces appearance invariance in a network when used in conjunction with convolutional layers. We are motivated by the observation that, even though convolutional networks have low…

Computer Vision and Pattern Recognition · Computer Science 2017-07-05 Tolga Tasdizen , Mehdi Sajjadi , Mehran Javanmardi , Nisha Ramesh

Graph Neural Networks (GNNs) have achieved remarkable success across diverse applications, yet they remain limited by oversmoothing and poor performance on heterophilic graphs. To address these challenges, we introduce a novel framework…

Machine Learning · Computer Science 2025-11-19 Cristina López Amado , Tassilo Schwarz , Yu Tian , Renaud Lambiotte

We extend the framework of K\"ahler information manifolds for complex-valued signal processing filters by introducing weighted Hardy spaces and smooth transformations of transfer functions. We demonstrate that the Riemannian geometry…

Information Theory · Computer Science 2025-04-18 Jaehyung Choi

Large language models (LLMs) are pretrained by minimizing the cross-entropy loss for next-token prediction. In this paper, we study whether this optimization strategy can induce geometric structure in the learned model weights and context…

Optimization and Control · Mathematics 2026-05-14 Zhehang Du , Hangfeng He , Weijie Su
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