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Provably efficient machine learning for quantum many-body problems

arXiv 2106.12627 ↗First posted 23 Jun 2021quant-ph cs.IT cs.LGcited by 91

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Abstract (arXiv)

Classical machine learning (ML) provides a potentially powerful approach to solving challenging quantum many-body problems in physics and chemistry. However, the advantages of ML over more traditional methods have not been firmly established. In this work, we prove that classical ML algorithms can efficiently predict ground state properties of gapped Hamiltonians in finite spatial dimensions, after learning from data obtained by measuring other Hamiltonians in the same quantum phase of matter. In contrast, under widely accepted complexity theory assumptions, classical algorithms that do not learn from data cannot achieve the same guarantee. We also prove that classical ML algorithms can efficiently classify a wide range of quantum phases of matter. Our arguments are based on the concept of a classical shadow, a succinct classical description of a many-body quantum state that can be constructed in feasible quantum experiments and be used to predict many properties of the state. Extensive numerical experiments corroborate our theoretical results in a variety of scenarios, including Rydberg atom systems, 2D random Heisenberg models, symmetry-protected topological phases, and topologically ordered phases.

Key facts. Cited by 91 papers in the map (data through 14 Oct 2026). Builds on 14 of its 130 references that are in the map. First posted on arXiv 23 Jun 2021.

Builds on

14 of 130 references.

References · 14

  1. 2019Explainable Artificial Intelligence (XAI): Concepts, Taxonomies, Opportunities and Challenges toward Responsible AIcited by 1,552
  2. 2020Power of data in quantum machine learningcited by 338
  3. 2020Predicting Many Properties of a Quantum System from Very Few Measurementscited by 233
  4. 2019Neural Tangents: Fast and Easy Infinite Neural Networks in Pythoncited by 149
  5. 2019Enhanced Convolutional Neural Tangent Kernelscited by 76
  6. 2019Unifying machine learning and quantum chemistry -- a deep neural network for molecular wavefunctionscited by 73
  7. 2020OrbNet: Deep Learning for Quantum Chemistry Using Symmetry-Adapted Atomic-Orbital Featurescited by 64
  8. 2016Discovering Phase Transitions with Unsupervised Learningcited by 49
  9. 2020Sample-efficient learning of quantum many-body systemscited by 37
  10. 2017Neural-Network Quantum States, String-Bond States, and Chiral Topological Statescited by 31
  11. 2016Learning Thermodynamics with Boltzmann Machinescited by 16
  12. 2017Semidefinite approximations of the matrix logarithmcited by 7
2 more
  1. 2021Hamiltonian-Driven Shadow Tomography of Quantum Statescited by 4
  2. 2020Estimating expectation values using approximate quantum statescited by 2

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Cited by year (2026 to 14 Oct)

Citing papers per year: 2021: 10; 2022: 23; 2023: 24; 2024: 17; 2025: 12; 2026: 5.

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  1. 2021Generalization in quantum machine learning from few training datacited by 216
  2. 2023Challenges and Opportunities in Quantum Machine Learningcited by 203
  3. 2021Quantum advantage in learning from experimentscited by 188
  4. 2022Theory for Equivariant Quantum Neural Networkscited by 62
  5. 2022Group-Invariant Quantum Machine Learningcited by 56
  6. 2021Exponential separations between learning with and without quantum memorycited by 52
  7. 2022Theoretical Guarantees for Permutation-Equivariant Quantum Neural Networkscited by 52
  8. 2022Out-of-distribution generalization for learning quantum dynamicscited by 49
  9. 2022Representation Theory for Geometric Quantum Machine Learningcited by 40
  10. 2024Quantum Convolutional Neural Networks are Effectively Classically Simulablecited by 37
  11. 2022Learning to predict arbitrary quantum processescited by 35
  12. 2023A survey on the complexity of learning quantum statescited by 32
38 more
  1. 2021Quantum machine learning of large datasets using randomized measurementscited by 30
  2. 2021Entangled Datasets for Quantum Machine Learningcited by 27
  3. 2023Exponential separations between classical and quantum learnerscited by 26
  4. 2021Scaling Up Machine Learning For Quantum Field Theory with Equivariant Continuous Flowscited by 24
  5. 2022Learning Quantum Processes and Hamiltonians via the Pauli Transfer Matrixcited by 23
  6. 2023Improved machine learning algorithm for predicting ground state propertiescited by 22
  7. 2023Machine Learning for Practical Quantum Error Mitigationcited by 20
  8. 2022Enhancing Quantum Adversarial Robustness by Randomized Encodingscited by 17
  9. 2023On the expressivity of embedding quantum kernelscited by 17
  10. 2022Flexible learning of quantum states with generative query neural networkscited by 16
  11. 2022Non-IID Quantum Federated Learning with One-shot Communication Complexitycited by 15
  12. 2021Revisiting dequantization and quantum advantage in learning taskscited by 12
  13. 2022Foundations for learning from noisy quantum experimentscited by 12
  14. 2023Statistical Complexity of Quantum Learningcited by 11
  15. 2025Generative quantum advantage for classical and quantum problemscited by 11
  16. 2023Generalization of Quantum Machine Learning Models Using Quantum Fisher Information Metriccited by 10
  17. 2025Artificial intelligence for representing and characterizing quantum systemscited by 10
  18. 2021Optimizing Quantum Variational Circuits with Deep Reinforcement Learningcited by 9
  19. 2022Predicting Properties of Quantum Systems with Conditional Generative Modelscited by 9
  20. 2023Effects of noise on the overparametrization of quantum neural networkscited by 9
  21. 2023ShadowNet for Data-Centric Quantum System Learningcited by 8
  22. 2024Quantum State Generation with Structure-Preserving Diffusion Modelcited by 8
  23. 2022QuACK: Accelerating Gradient-Based Quantum Optimization with Koopman Operator Learningcited by 7
  24. 2023Exponentially improved efficient machine learning for quantum many-body states with provable guaranteescited by 7
  25. 2023Learning quantum properties from short-range correlations using multi-task networkscited by 7
  26. 2024Demonstration of Robust and Efficient Quantum Property Learning with Shallow Shadowscited by 7
  27. 2024Efficient Learning for Linear Properties of Bounded-Gate Quantum Circuitscited by 7
  28. 2021On exploring the potential of quantum auto-encoder for learning quantum systemscited by 6
  29. 2023Fast Quantum Convolutional Neural Networks for Low-Complexity Object Detection in Autonomous Driving Applicationscited by 6
  30. 2022Hardware-efficient learning of quantum many-body statescited by 5
  31. 2024On the sample complexity of purity and inner product estimationcited by 5
  32. 2022Quantum neural networks force fields generationcited by 4
  33. 2023Quantum contextual bandits and recommender systems for quantum datacited by 4
  34. 2023Learning Quantum Processes with Quantum Statistical Queriescited by 4
  35. 2023The role of data embedding in equivariant quantum convolutional neural networkscited by 4
  36. 2024Quantum Compiling with Reinforcement Learning on a Superconducting Processorcited by 4
  37. 2024Entanglement-induced provable and robust quantum learning advantagescited by 4
  38. 2025Rethink the Role of Deep Learning towards Large-scale Quantum Systemscited by 4

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