Machine learning-based compression of quantum many body physics: PCA and autoencoder representation of the vertex function

Abstract Theoretical approaches to quantum many-body physics require developing compact representations of the complexity of generic quantum states. This paper explores an interpretable data-driven approach utilizing principal component analysis (PCA) and autoencoder neural networks to compress the two-particle vertex, a key element in Feynman diagram approaches. We show that the linear PCA offers more physical insight and better out-of-distribution generalization than the nominally more expressive autoencoders. Even with ∼10–20 principal components, we find excellent reconstruction across the phase diagram suggesting the existence of heretofore unrealized structures in the diagrammatic theory. We show that the principal components needed to describe the ferromagnetic state are not contained in the low rank description of the Fermi liquid (FL) state, unlike those for antiferromagnetic and superconducting states, suggesting that the latter two states emerge from pre-existing fluctuations in the FL while ferromagnetism is driven by a different process.

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Publication Details

Journal
Machine Learning Science and Technology
Published
2024-12-01
DOI
https://doi.org/10.1088/2632-2153/ad9f20
Citations
3
Primary Topic
Computational Physics and Python Applications
Type
article
Field-Weighted Citation Impact
1.04

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Machine learning-based compression of quantum many body physics: PCA and autoencoder representation of the vertex function

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Machine Learning Science and Technology
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article

Machine learning-based compression of quantum many body physics: PCA and autoencoder representation of the vertex function

Domenico Di Sante, Dominik Kiese, Jiawei Zang, Anirvan M. Sengupta, Matija Medvidović, Andrew J. Millis
article en
3 citations

Abstract

Abstract Theoretical approaches to quantum many-body physics require developing compact representations of the complexity of generic quantum states. This paper explores an interpretable data-driven approach utilizing principal component analysis (PCA) and autoencoder neural networks to compress the two-particle vertex, a key element in Feynman diagram approaches. We show that the linear PCA offers more physical insight and better out-of-distribution generalization than the nominally more expressive autoencoders. Even with ∼10–20 principal components, we find excellent reconstruction across the phase diagram suggesting the existence of heretofore unrealized structures in the diagrammatic theory. We show that the principal components needed to describe the ferromagnetic state are not contained in the low rank description of the Fermi liquid (FL) state, unlike those for antiferromagnetic and superconducting states, suggesting that the latter two states emerge from pre-existing fluctuations in the FL while ferromagnetism is driven by a different process.

Machine Learning Science and TechnologyVol. 5(4)
Rutgers, The State University of New Jersey (US), Environmental and Occupational Health Sciences Institute (US), Flatiron Health (United States) (US), Flatiron Institute (US), Columbia University (US), University of Bologna (IT)
National Science Foundation, Flatiron Health, European Commission, Materials Research Science and Engineering Center, Harvard University, Division of Materials Research, HORIZON EUROPE Marie Sklodowska-Curie Actions
Industry, innovation and infrastructure
Openalex Percentile: Top 18%
Computational Physics and Python Applications
1.04
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