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中国物理学会期刊

基于物理信息机器学习的重离子熔合截面与势垒分布预测

Prediction of heavy-ion fusion cross sections and barrier distributions based on physics-informed machine learning

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  • 获取亚势垒区的重离子熔合截面信息是实现超重核合成的关键。鉴于现有唯象模型和纯数据驱动模型预测的截面偏差有待进一步降低,本文利用残差学习策略将轻量级梯度提升机算法(Light Gradient Boosting Machine,LightGBM)与Swiatecki-Wilszczynska (S-W)唯象公式结合,构建基于物理信息机器学习的PI-LightGBM模型。利用16种典型反应的重离子熔合截面和势垒分布开展训练和验证,发现PI-LightGBM的熔合截面预测值与实验值的均方根对数偏差仅为0.26,明显小于纯数据驱动的LightGBM模型和仅结合物理信息的神经网络模型。在预测势垒分布方面,PI-LightGBM的势垒高度预测的决定系数达0.984,并可用于修正同位素效应和转移通道对提取熔合势垒分布带来的不利影响。特征重要性研究表明,PI-LightGBM对亚势垒区的预测修正主要取决于原子核壳效应和形变信息的合理引入。本研究表明了PI-LightGBM在预测重离子熔合截面和势垒分布方面的可行性,有望为超重核合成实验参数的评估和核-核相互作用势的预测提供一种有效的候选方案。

     

    Reliable heavy-ion fusion cross sections in the sub-barrier region are essential for selecting beam-target combinations and incident energies in superheavy-nucleus synthesis, but their prediction remains diffcult because quantum tunneling is strongly modified by couplings to collective excitations, nucleon transfer, and static deformation. Conventional phenomenological formulas impose rigid analytic barrier shapes, whereas purely data-driven models may violate the Coulomb asymptotic behavior when extrapolated to sparsely sampled energies. To address both limitations, we develop a physics-informed Light Gradient Boosting Machine (PI-LightGBM) by combining the Swiatecki-Wilczynska (S-W) phenomenological formula with a residual-learning strategy. A database containing 3842 fusion cross-section-energy points from 235 reaction systems is assembled. Among them, 219 systems (3585 points) are used for training and validation, while 16 systems (257 points) constitute a reaction-wise isolated test set. The S-W prediction and the Coulomb baseline barrier provide the macroscopic reference, and LightGBM learns logarithmic residual corrections from projectile and target charges and masses, collision energy, mass asymmetry, Coulomb and size factors, isospin asymmetry, distance-to-magic-number indicators, and deformation-related proxies. Ten bootstrap submodels are aggregated to obtain the ensemble mean and a 90% confidence interval, thereby combining physical constraints, data-driven correction, and uncertainty quantification within a unified framework. On the independent test set, PI-LightGBM achieves a global root-mean-square logarithmic error of 0.26, compared with 0.94 for the purely data-driven LightGBM model, 3.03 for the S-W model, 2.86 for the Wong formula, and 0.86 for a physics-informed neural-network fit. For the extracted barrier heights, the coeffcient of determination is 0.984 and the root-mean-square error is 4.50 MeV. The normalized barrierheight deviations are approximately Gaussian, with a mean of -0.008 and a standard deviation of 0.075, and show no systematic increase with barrier height. Relative to the Coulomb baseline, the predicted effective barriers are lower by 7.23 MeV on average, corresponding to a mean relative difference of 0.092; this behavior indicates a stable but system-dependent correction beyond the macroscopic Coulomb scale. Fusion barrier distributions extracted by finite differences for 17O + 144Sm, 16O + 144Sm, and 16O + 148Sm more closely follow the experimental peak positions and widths than the S-W baseline and the purely data-driven model, suggesting that isotope dependence and transfer-channel effects are partially accounted for. SHAP analysis further identifies normalized collision energy as the dominant individual feature, while kinematic, mass-and-charge, and microscopic shell/deformation features contribute 47.21%, 42.46%, and 10.33%, respectively. These results demonstrate that the proposed framework integrates physical asymptotics, residual learning, uncertainty quantification, and interpretable feature analysis, and provides a practical candidate for predicting fusion observables in unmeasured systems and for supporting the evaluation of reaction conditions in superheavy-nucleus synthesis and nucleus-nucleus interaction potentials.

     

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