Shortcut learning in geometric knot classification

Fuente: arXiv
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Autores principales: Mihajlovic, Djordje, Michieletto, Davide
Formato: Preprint
Publicado: 2026
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author Mihajlovic, Djordje
Michieletto, Davide
author_facet Mihajlovic, Djordje
Michieletto, Davide
contents Classifying the topology of closed curves is a central problem in low dimensional topology with applications beyond mathematics spanning protein folding, polymer physics and even magnetohydrodynamics. The central problem is how to determine whether two embeddings of a closed arc are equivalent under ambient isotopy. Given the striking ability of neural networks to solve complex classification tasks, it is therefore natural to ask if the knot classification problem can be tackled using Machine Learning (ML). In this paper, we investigate generic shortcut methods employed by ML to solve the knot classification challenge and specifically discover hidden non-topological features in training data generated through Molecular Dynamics simulations of polygonal knots that are used by ML to arrive to positive classifications results. We then provide a rigorous foundation for future attempts to tackle the knot classification challenge using ML by developing a publicly-available (i) dataset, that aims to remove the potential of non-topological feature classification and (ii) code, that can generate knot embeddings that faithfully explore chosen geometric state space with fixed knot topology. We expect that our work will accelerate the development of ML models that can solve complex geometric knot classification challenges.
format Preprint
id arxiv_https___arxiv_org_abs_2602_17350
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Shortcut learning in geometric knot classification
Mihajlovic, Djordje
Michieletto, Davide
Machine Learning
Soft Condensed Matter
Geometric Topology
Classifying the topology of closed curves is a central problem in low dimensional topology with applications beyond mathematics spanning protein folding, polymer physics and even magnetohydrodynamics. The central problem is how to determine whether two embeddings of a closed arc are equivalent under ambient isotopy. Given the striking ability of neural networks to solve complex classification tasks, it is therefore natural to ask if the knot classification problem can be tackled using Machine Learning (ML). In this paper, we investigate generic shortcut methods employed by ML to solve the knot classification challenge and specifically discover hidden non-topological features in training data generated through Molecular Dynamics simulations of polygonal knots that are used by ML to arrive to positive classifications results. We then provide a rigorous foundation for future attempts to tackle the knot classification challenge using ML by developing a publicly-available (i) dataset, that aims to remove the potential of non-topological feature classification and (ii) code, that can generate knot embeddings that faithfully explore chosen geometric state space with fixed knot topology. We expect that our work will accelerate the development of ML models that can solve complex geometric knot classification challenges.
title Shortcut learning in geometric knot classification
topic Machine Learning
Soft Condensed Matter
Geometric Topology
url https://arxiv.org/abs/2602.17350