比较连续模型与离散模型在拟南芥抗性基因调控中的表现
Continuous surrogates versus threshold Boolean networks for modeling Arabidopsis ISR gene regulation

- 用随机森林和MLP等连续模型,及阈值布尔网络进行对比建模
- 布尔网络在定性轨迹预测上更准确,连续模型在局部数值上更优
- 两者各有优势,应互补使用于生物调控研究
基因调控网络建模需兼顾预测精度与机制可解释性。本文在相同的拟南芥诱导系统抗性(ISR)数据集上,对比了连续代理模型与离散机制模型的表现,使用原始连续表达数据及其符号二值化表示。研究包含8个防御相关基因、9个时间点的数据,评估了随机森林(RF)回归和多层感知机(MLP)两种连续预测器,以及阈值布尔网络(TBN)。通过滚动起点一步预测、递归多步滚动预测和可解释性分析进行评估。在连续域中,RF表现最佳,平均一步预测的MAE为1.910,RMSE为2.836,优于MLP的2.089和3.106。在二值域中,TBN取得最优定性性能,平均一步二值准确率为0.550,汉明距离为3.600,优于RF的0.500和4.000,以及MLP的0.495和4.040。在递归滚动中,TBN精确复现了观测到的二值化轨迹,而MLP也表现出近乎完美的保真度,轨迹二值准确率达0.986;相比之下,RF累积偏差显著,轨迹二值准确率仅为0.708。结果表明,局部数值精度与全局定性动态保真度未必一致,提示连续代理模型与阈值布尔网络应作为互补工具用于生物调控建模。
原文摘要 · Abstract (English)
Gene regulatory network modeling often requires balancing predictive accuracy and mechanistic interpretability. In this work, we compare continuous surrogate models and a discrete mechanistic model on the same \textit{Arabidopsis thaliana} induced systemic resistance (ISR) dataset, using both the raw continuous gene-expression measurements and their sign-binarized representation. The study considers eight defense-related genes measured over nine time points and evaluates two continuous predictors, Random Forest (RF) regression and a Multi-Layer Perceptron (MLP), against a threshold Boolean network (TBN). The models are assessed using rolling-origin one-step prediction, recursive multi-step rollout, and interpretability analysis. RF achieved the best average one-step numerical performance in the continuous domain, with an MAE of 1.910 and an RMSE of 2.836, compared with 2.089 and 3.106 for the MLP. In the binary domain, the TBN obtained the best average one-step qualitative performance, with a binary accuracy of 0.550 and a Hamming distance of 3.600, compared with 0.500 and 4.000 for RF, and 0.495 and 4.040 for the MLP. In recursive rollout, the TBN exactly reproduced the observed binarized trajectory, while the MLP also showed near-perfect fidelity, with a trajectory binary accuracy of 0.986, and RF accumulated substantially larger deviation, with a trajectory binary accuracy of 0.708. These results highlight that local numerical accuracy and global qualitative dynamical fidelity are not necessarily aligned, and suggest that continuous surrogates and threshold Boolean networks should be viewed as complementary tools for modeling biological regulation.
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