用化学分子网络实现无数字硬件的类脑学习,可识别噪声输入模式。
Evolutionary chemical learning in dimerization networks
- 利用可逆二聚化分子网络模拟神经元,结合突变与筛选实现体外训练
- 在噪声输入下分类准确率高,输出对比度强且输入输出互信息显著
- 适合合成生物学与低功耗分子计算研究者关注
我们提出基于竞争性二聚化网络(CDNs)的化学学习框架——一种由多种分子物种(如蛋白质、DNA或RNA寡核苷酸)可逆结合形成二聚体的系统。数值实验表明,这些网络可通过体外定向进化进行训练,无需数字硬件或所有微观结合常数的先验知识,即可实现多分类等复杂学习任务。每个分子物种相当于一个神经元,结合亲和力充当可调突触权重。通过包含突变、选择和扩增的训练协议,CDNs 能够稳健区分噪声输入模式。所得分类器表现出强输出对比度和高输入-输出互信息,尤其在使用对比增强损失函数时更优。与体外梯度下降训练的比较分析显示性能高度相关。这些结果确立了CDNs作为模拟物理计算的有前途平台,连接合成生物学与机器学习,推动自适应、低能耗分子计算系统的发展。
原文摘要 · Abstract (English)
We present a framework for chemical learning based on Competitive Dimerization Networks (CDNs) - systems in which multiple molecular species, e.g., proteins, DNA oligomers, or RNA oligomers, reversibly bind to form dimers. We show numerically that these networks can, in principle, be trained in vitro through directed evolution, enabling the implementation of complex learning tasks such as multiclass classification without digital hardware or prior knowledge of all microscopic association constants. Each molecular species functions analogously to a neuron, with binding affinities acting as tunable synaptic weights. A training protocol involving mutation, selection, and amplification of DNA-based components allows CDNs to robustly discriminate among noisy input patterns. The resulting classifiers exhibit strong output contrast and high mutual information between input and output, especially when guided by a contrast-enhancing loss function. Comparative analysis with in silico gradient descent training reveals closely correlated performance. These results establish CDNs as a promising platform for analog physical computation, bridging synthetic biology and machine learning, and advancing the development of adaptive, energy-efficient molecular computing systems.
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