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Machine learning models increasingly map biological sequence-fitness landscapes to predict mutational effects. Effective evaluation of these models requires benchmarks curated from empirical data. Despite their impressive scales, existing…

Machine Learning · Computer Science 2025-10-30 Mingyu Huang , Shasha Zhou , Ke Li

Geometric trees are characterized by their tree-structured layout and spatially constrained nodes and edges, which significantly impacts their topological attributes. This inherent hierarchical structure plays a crucial role in domains such…

Machine Learning · Computer Science 2024-08-19 Zheng Zhang , Allen Zhang , Ruth Nelson , Giorgio Ascoli , Liang Zhao

Graph Neural Networks (GNNs) have excelled in predicting graph properties in various applications ranging from identifying trends in social networks to drug discovery and malware detection. With the abundance of new architectures and…

Machine Learning · Computer Science 2024-06-06 Roya Aliakbarisani , Robert Jankowski , M. Ángeles Serrano , Marián Boguñá

We introduce a method called multi-scale local shape analysis, or MLSA, for extracting features that describe the local structure of points within a dataset. The method uses both geometric and topological features at multiple levels of…

Computational Geometry · Computer Science 2014-10-14 Paul Bendich , Ellen Gasparovic , John Harer , Rauf Izmailov , Linda Ness

We propose TopDis (Topological Disentanglement), a method for learning disentangled representations via adding a multi-scale topological loss term. Disentanglement is a crucial property of data representations substantial for the…

Machine Learning · Computer Science 2025-03-17 Nikita Balabin , Daria Voronkova , Ilya Trofimov , Evgeny Burnaev , Serguei Barannikov

We investigate the topics of sensitivity and robustness in feedforward and convolutional neural networks. Combining energy landscape techniques developed in computational chemistry with tools drawn from formal methods, we produce empirical…

Machine Learning · Statistics 2018-12-06 Timothy E. Wang , Yiming Gu , Dhagash Mehta , Xiaojun Zhao , Edgar A. Bernal

Computational topology provides a tool, persistent homology, to extract quantitative descriptors from structured objects (images, graphs, point clouds, etc). These descriptors can then be involved in optimization problems, typically as a…

Computational Geometry · Computer Science 2026-03-27 Mathieu Carriere , Yuichi Ike , Théo Lacombe , Naoki Nishikawa

Statistical analysis on object data presents many challenges. Basic summaries such as means and variances are difficult to compute. We apply ideas from topology to study object data. We present a framework for using persistence landscapes…

Methodology · Statistics 2019-12-12 Vic Patrangenaru , Peter Bubenik , Robert L. Paige , Daniel Osborne

The analysis of complex systems such as neural networks is made particularly difficult by the overwhelming number of their interacting components. In the absence of prior knowledge, identifying a small but informative subset of network…

Disordered Systems and Neural Networks · Physics 2024-10-17 Riccardo Aldrigo , Roberto Menichetti , Raffaello Potestio

Efficient solving of an unseen optimization problem is related to appropriate selection of an optimization algorithm and its hyper-parameters. For this purpose, automated algorithm performance prediction should be performed that in most…

Neural and Evolutionary Computing · Computer Science 2021-10-25 Risto Trajanov , Stefan Dimeski , Martin Popovski , Peter Korošec , Tome Eftimov

This survey provides a comprehensive exploration of applications of Topological Data Analysis (TDA) within neural network analysis. Using TDA tools such as persistent homology and Mapper, we delve into the intricate structures and behaviors…

Machine Learning · Computer Science 2024-01-04 Rubén Ballester , Carles Casacuberta , Sergio Escalera

We provide the first global optimization landscape analysis of $Neural\;Collapse$ -- an intriguing empirical phenomenon that arises in the last-layer classifiers and features of neural networks during the terminal phase of training. As…

Machine Learning · Computer Science 2021-05-07 Zhihui Zhu , Tianyu Ding , Jinxin Zhou , Xiao Li , Chong You , Jeremias Sulam , Qing Qu

Topological data analysis provides a multiscale description of the geometry and topology of quantitative data. The persistence landscape is a topological summary that can be easily combined with tools from statistics and machine learning.…

Computational Geometry · Computer Science 2017-07-21 Peter Bubenik , Pawel Dlotko

Training networks to perform metric relocalization traditionally requires accurate image correspondences. In practice, these are obtained by restricting domain coverage, employing additional sensors, or capturing large multi-view datasets.…

Computer Vision and Pattern Recognition · Computer Science 2020-11-03 Mike Kasper , Fernando Nobre , Christoffer Heckman , Nima Keivan

Deep learning models are often considered black boxes due to their complex hierarchical transformations. Identifying suitable architectures is crucial for maximizing predictive performance with limited data. Understanding the geometric…

Machine Learning · Computer Science 2025-03-11 Michael Wienczkowski , Addisu Desta , Paschal Ugochukwu

Manifold learning aims to discover and represent low-dimensional structures underlying high-dimensional data while preserving critical topological and geometric properties. Existing methods often fail to capture local details with global…

Machine Learning · Computer Science 2025-05-08 Ren Wang , Pengcheng Zhou

We introduce the loss kernel, an interpretability method for measuring similarity between data points according to a trained neural network. The kernel is the covariance matrix of per-sample losses computed under a distribution of…

Machine Learning · Computer Science 2025-10-01 Maxwell Adam , Zach Furman , Jesse Hoogland

Convolutional neural networks (CNN's) are powerful and widely used tools. However, their interpretability is far from ideal. One such shortcoming is the difficulty of deducing a network's ability to generalize to unseen data. We use…

Computer Vision and Pattern Recognition · Computer Science 2019-10-21 Rickard Brüel Gabrielsson , Gunnar Carlsson

By removing parameters from deep neural networks, unstructured pruning methods aim at cutting down memory footprint and computational cost, while maintaining prediction accuracy. In order to tackle this otherwise intractable problem, many…

Machine Learning · Computer Science 2020-06-23 César Laurent , Camille Ballas , Thomas George , Nicolas Ballas , Pascal Vincent

The topological information is essential for studying the relationship between nodes in a network. Recently, Network Representation Learning (NRL), which projects a network into a low-dimensional vector space, has been shown their…

Social and Information Networks · Computer Science 2019-02-19 Guoji Fu , Chengbin Hou , Xin Yao