arXiv:2502.15376cs.LGcond-mat.mes-hall2025-02NeurIPS被引 2

用规范协变神经网络预测拓扑绝缘体的陈数,突破传统方法局限。

Learning Chern Numbers of Topological Insulators with Gauge Equivariant Neural Networks

  • 设计规范协变神经网络,利用局域对称性学习拓扑不变量
  • 仅在平庸陈数样本上训练,仍能准确预测非平庸陈数
  • 适用于拓扑物态识别,尤其适合缺乏标注数据的场景

协变网络架构是预测不变量或协变量的成熟工具。然而,几乎所有此类学习问题都涉及全局对称性,即空间中每一点以相同群元变换;而局部‘规范’对称性允许每点使用不同群元变换,使对称群规模呈指数级增长。目前规范协变网络主要应用于量子色动力学问题。本文首次将其引入拓扑凝聚态物理领域,用于预测多带拓扑绝缘体的拓扑不变量(陈数)。网络的规范对称性保证了预测结果为拓扑不变量。我们提出一种新型规范协变归一化层以稳定训练,并证明了该框架的通用逼近定理。模型仅在陈数为零的样本上训练,但可泛化至非零陈数样本。我们进行了多种消融实验。代码已公开于 https://github.com/sitronsea/GENet/tree/main。

原文摘要 · Abstract (English)

Equivariant network architectures are a well-established tool for predicting invariant or equivariant quantities. However, almost all learning problems considered in this context feature a global symmetry, i.e. each point of the underlying space is transformed with the same group element, as opposed to a local ``gauge'' symmetry, where each point is transformed with a different group element, exponentially enlarging the size of the symmetry group. Gauge equivariant networks have so far mainly been applied to problems in quantum chromodynamics. Here, we introduce a novel application domain for gauge-equivariant networks in the theory of topological condensed matter physics. We use gauge equivariant networks to predict topological invariants (Chern numbers) of multiband topological insulators. The gauge symmetry of the network guarantees that the predicted quantity is a topological invariant. We introduce a novel gauge equivariant normalization layer to stabilize the training and prove a universal approximation theorem for our setup. We train on samples with trivial Chern number only but show that our models generalize to samples with non-trivial Chern number. We provide various ablations of our setup. Our code is available at https://github.com/sitronsea/GENet/tree/main.

拓扑物理神经网络规范对称陈数

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