• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

将神经网络量子态作为多种哈密顿量的统一假设。

Foundation neural-networks quantum states as a unified Ansatz for multiple hamiltonians.

作者信息

Rende Riccardo, Viteritti Luciano Loris, Becca Federico, Scardicchio Antonello, Laio Alessandro, Carleo Giuseppe

机构信息

International School for Advanced Studies (SISSA), Trieste, Italy.

Institute of Physics, École Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland.

出版信息

Nat Commun. 2025 Aug 5;16(1):7213. doi: 10.1038/s41467-025-62098-x.

DOI:10.1038/s41467-025-62098-x
PMID:40764510
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12325958/
Abstract

Foundation models are highly versatile neural-network architectures capable of processing different data types, such as text and images, and generalizing across various tasks like classification and generation. Inspired by this success, we propose Foundation Neural-Network Quantum States (FNQS) as an integrated paradigm for studying quantum many-body systems. FNQS leverage key principles of foundation models to define variational wave functions based on a single, versatile architecture that processes multimodal inputs, including spin configurations and Hamiltonian physical couplings. Unlike specialized architectures tailored for individual Hamiltonians, FNQS can generalize to physical Hamiltonians beyond those encountered during training, offering a unified framework adaptable to various quantum systems and tasks. FNQS enable the efficient estimation of quantities that are traditionally challenging or computationally intensive to calculate using conventional methods, particularly disorder-averaged observables. Furthermore, the fidelity susceptibility can be easily obtained to uncover quantum phase transitions without prior knowledge of order parameters. These pretrained models can be efficiently fine-tuned for specific quantum systems. The architectures trained in this paper are publicly available at https://huggingface.co/nqs-models , along with examples for implementing these neural networks in NetKet.

摘要

基础模型是高度通用的神经网络架构,能够处理不同的数据类型,如文本和图像,并能在各种任务(如分类和生成)中进行泛化。受此成功启发,我们提出基础神经网络量子态(FNQS)作为研究量子多体系统的一种集成范式。FNQS利用基础模型的关键原理,基于单一通用架构定义变分波函数,该架构可处理多模态输入,包括自旋配置和哈密顿物理耦合。与为单个哈密顿量量身定制的专用架构不同,FNQS可以推广到训练期间未遇到的物理哈密顿量,提供一个适用于各种量子系统和任务的统一框架。FNQS能够有效地估计传统方法计算起来具有挑战性或计算量很大的量,特别是无序平均可观测量。此外,无需序参量的先验知识,就可以轻松获得保真度磁化率以揭示量子相变。这些预训练模型可以针对特定量子系统进行高效微调。本文训练的架构可在https://huggingface.co/nqs-models上公开获取,同时还提供了在NetKet中实现这些神经网络的示例。

相似文献

1
Foundation neural-networks quantum states as a unified Ansatz for multiple hamiltonians.将神经网络量子态作为多种哈密顿量的统一假设。
Nat Commun. 2025 Aug 5;16(1):7213. doi: 10.1038/s41467-025-62098-x.
2
Short-Term Memory Impairment短期记忆障碍
3
Leveraging a foundation model zoo for cell similarity search in oncological microscopy across devices.利用基础模型库进行跨设备肿瘤显微镜检查中的细胞相似性搜索。
Front Oncol. 2025 Jun 18;15:1480384. doi: 10.3389/fonc.2025.1480384. eCollection 2025.
4
Sexual Harassment and Prevention Training性骚扰与预防培训
5
Systemic Inflammatory Response Syndrome全身炎症反应综合征
6
Idiopathic (Genetic) Generalized Epilepsy特发性(遗传性)全身性癫痫
7
A segment anything model-guided and match-based semi-supervised segmentation framework for medical imaging.一种用于医学成像的基于段式分割模型引导和匹配的半监督分割框架。
Med Phys. 2025 Mar 29. doi: 10.1002/mp.17785.
8
Can a Liquid Biopsy Detect Circulating Tumor DNA With Low-passage Whole-genome Sequencing in Patients With a Sarcoma? A Pilot Evaluation.液体活检能否通过低深度全基因组测序检测肉瘤患者的循环肿瘤DNA?一项初步评估。
Clin Orthop Relat Res. 2025 Jan 1;483(1):39-48. doi: 10.1097/CORR.0000000000003161. Epub 2024 Jun 21.
9
The Black Book of Psychotropic Dosing and Monitoring.《精神药物剂量与监测黑皮书》
Psychopharmacol Bull. 2024 Jul 8;54(3):8-59.
10
Comparison of Two Modern Survival Prediction Tools, SORG-MLA and METSSS, in Patients With Symptomatic Long-bone Metastases Who Underwent Local Treatment With Surgery Followed by Radiotherapy and With Radiotherapy Alone.两种现代生存预测工具 SORG-MLA 和 METSSS 在接受手术联合放疗和单纯放疗治疗有症状长骨转移患者中的比较。
Clin Orthop Relat Res. 2024 Dec 1;482(12):2193-2208. doi: 10.1097/CORR.0000000000003185. Epub 2024 Jul 23.

本文引用的文献

1
Many-body localization in the age of classical computing.经典计算时代的多体局域化
Rep Prog Phys. 2025 Jan 20;88(2). doi: 10.1088/1361-6633/ad9756.
2
Incommensurate Order with Translationally Invariant Projected Entangled-Pair States: Spiral States and Quantum Spin Liquid on the Anisotropic Triangular Lattice.
Phys Rev Lett. 2024 Oct 25;133(17):176502. doi: 10.1103/PhysRevLett.133.176502.
3
Empowering deep neural quantum states through efficient optimization.通过高效优化赋能深度神经量子态。
Nat Phys. 2024;20(9):1476-1481. doi: 10.1038/s41567-024-02566-1. Epub 2024 Jul 1.
4
Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networks.使用权重共享深度神经网络求解多个核几何结构的电子薛定谔方程。
Nat Comput Sci. 2022 May;2(5):331-341. doi: 10.1038/s43588-022-00228-x. Epub 2022 May 19.
5
Towards a transferable fermionic neural wavefunction for molecules.迈向适用于分子的可转移费米子神经波函数。
Nat Commun. 2024 Jan 2;15(1):120. doi: 10.1038/s41467-023-44216-9.
6
Ab initio quantum chemistry with neural-network wavefunctions.基于神经网络波函数的从头算量子化学。
Nat Rev Chem. 2023 Oct;7(10):692-709. doi: 10.1038/s41570-023-00516-8. Epub 2023 Aug 9.
7
Transformer Variational Wave Functions for Frustrated Quantum Spin Systems.变分 Transformer 波函数在受挫量子自旋系统中的应用。
Phys Rev Lett. 2023 Jun 9;130(23):236401. doi: 10.1103/PhysRevLett.130.236401.
8
Provably efficient machine learning for quantum many-body problems.可证明有效的机器学习在量子多体问题中的应用。
Science. 2022 Sep 23;377(6613):eabk3333. doi: 10.1126/science.abk3333.
9
Fermionic wave functions from neural-network constrained hidden states.神经网络约束隐藏态中的费米子波函数。
Proc Natl Acad Sci U S A. 2022 Aug 9;119(32):e2122059119. doi: 10.1073/pnas.2122059119. Epub 2022 Aug 3.
10
Highly accurate protein structure prediction with AlphaFold.利用 AlphaFold 进行高精度蛋白质结构预测。
Nature. 2021 Aug;596(7873):583-589. doi: 10.1038/s41586-021-03819-2. Epub 2021 Jul 15.