用量子几何信息增强模型表示,提升分子与粒子物理任务表现
QUIVER: Quantum-Informed Views for Enhanced Representations in Large ML Models
- 将变分量子电路的量子费舍尔信息作为互补特征输入模型
- 在QM9和JetClass数据集上均显著提升预测准确率
- 适用于多种模型架构,无需量子硬件即可应用
大型机器学习模型从多模态输入中获益显著,可提供对同一样本的互补视角。本文提出QUIVER(QUantum-Informed Views for Enhanced Representations),一种将量子费舍尔视图融入经典特征的方法:通过训练变分量子电路(VQC)完成相同任务,以几何启发、基无关的方式总结高阶相关性。不同于传统特征增强,量子费舍尔信息矩阵编码了学习到的量子态流形的内在几何结构。尽管该特征映射在经典上通常难以建模,却能揭示经典数据或模型容量难以捕捉的统计结构,使其成为真正互补而非冗余的模态。我们在两个不同领域的基准数据集上验证:QM9(分子属性预测)和JetClass(大型强子对撞机中的喷注类型识别)。核心贡献在于其领域无关性:量子费舍尔视图可通过针对性修改基础架构,融入广泛模型结构,引入问题的量子几何信息。结果表明,从模拟变分电路中提取的量子几何特征,可在容错量子硬件出现前为标准机器学习任务带来可观增益。
原文摘要 · Abstract (English)
Large machine learning models benefit substantially from multimodal inputs that provide a complementary view of the same example. We introduce QUIVER (QUantum-Informed Views for Enhanced Representations, a paradigm that enriches classical data-driven features with a quantum Fisher view: a geometrically motivated, basis-independent summary of higher-order correlations captured by a variational quantum circuit (VQC) trained to perform the same task. Unlike classical feature augmentation, the quantum Fisher information matrix encodes the intrinsic geometry of the learned quantum state manifold. While this feature map, motivated by quantum information theory, is ordinarily non-trivial to model classically, it can surface statistical structure that additional classical data or model capacity finds difficult to learn. This makes the quantum Fisher view a genuinely complementary modality rather than a redundant one. We demonstrate that QUIVER improves standard performance metrics on two benchmark datasets from very different fields: QM9 for predicting molecule properties, and JetClass for predicting jet flavor at the Large Hadron Collider (LHC). The core contribution, however, is domain-agnostic: the quantum Fisher view can be fused into a broad class of model architectures via targeted modifications to the base architecture, to incorporate information about the quantum geometry of the problem. These results demonstrate that quantum-geometric features, extracted from simulated variational circuits, can deliver measurable value for standard machine learning tasks, well before the advent of fault-tolerant quantum hardware.
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