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Predicting the generalization gap in neural networks using topological data analysis

Rubén Ballester, Xavier Arnal Clemente, Carles Casacuberta, Meysam Madadi, Ciprian Corneanu, Sérgio Escalera

2024Neurocomputing15 citationsDOIOpen Access PDF

Abstract

Understanding how neural networks generalize on unseen data is crucial for designing more robust and reliable models. In this paper, we study the generalization gap of neural networks using methods from topological data analysis. For this purpose, we compute homological persistence diagrams of weighted graphs constructed from neuron activation correlations after a training phase, aiming to capture patterns that are linked to the generalization capacity of the network. We compare the usefulness of different numerical summaries from persistence diagrams and show that a combination of some of them can accurately predict and partially explain the generalization gap without the need of a test set. Evaluation on two computer vision recognition tasks (CIFAR10 and SVHN) shows competitive generalization gap prediction when compared against state-of-the-art methods.

Topics & Concepts

GeneralizationComputer scienceArtificial neural networkSet (abstract data type)Artificial intelligenceMachine learningTraining setPersistence (discontinuity)Test setData setTopological data analysisPattern recognition (psychology)AlgorithmMathematicsMathematical analysisProgramming languageGeotechnical engineeringEngineeringTopological and Geometric Data AnalysisAdvanced Neuroimaging Techniques and ApplicationsHomotopy and Cohomology in Algebraic Topology