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arXiv 2203.00451cs.LGquant-ph
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基于物理信息的神经网络求解量子本征值问题

Physics-Informed Neural Networks for Quantum Eigenvalue Problems

Harvard University(哈佛大学)

Henry Jin, Marios Mattheakis, Pavlos Protopapas

摘要:

特征值问题在科学和工程的许多领域都是至关重要的。我们扩展的方法,使用无监督神经网络发现微分特征值问题的特征函数和特征值。所得到的解决方案给出的分析和微分形式,同样满足所需的边界条件。网络优化是无数据的,仅取决于神经网络的预测。我们引入了两个物理信息的损失函数。第一种称为正交损失,激励网络发现成对正交特征函数。第二个损失项,称为范数损失,要求发现归一化的本征函数,并用于避免平凡的解决方案。我们发现,嵌入偶或奇对称的神经网络架构进一步提高了相关问题的收敛性。最后,耐心条件可以用来自动识别特征函数的解决方案。提出的无监督学习方法被用来解决有限阱,多个有限阱,和氢原子本征值量子问题。

英文摘要:

Eigenvalue problems are critical to several fields of science and engineering. We expand on the method of using unsupervised neural networks for discovering eigenfunctions and eigenvalues for differential eigenvalue problems. The obtained solutions are given in an analytical and differentiable form that identically satisfies the desired boundary conditions. The network optimization is data-free and depends solely on the predictions of the neural network. We introduce two physics-informed loss functions. The first, called ortho-loss, motivates the network to discover pair-wise orthogonal eigenfunctions. The second loss term, called norm-loss, requests the discovery of normalized eigenfunctions and is used to avoid trivial solutions. We find that embedding even or odd symmetries to the neural network architecture further improves the convergence for relevant problems. Lastly, a patience condition can be used to automatically recognize eigenfunction solutions. This proposed unsupervised learning method is used to solve the finite well, multiple finite wells, and hydrogen atom eigenvalue quantum problems.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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