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用于预测直接墨水书写的可打印生物材料配方的机器学习

Machine Learning in Predicting Printable Biomaterial Formulations for Direct Ink Writing.

作者信息

Chen Hongyi, Liu Yuanchang, Balabani Stavroula, Hirayama Ryuji, Huang Jie

机构信息

Department of Mechanical Engineering, University College London, London, UK.

Department of Computer Science, University College London, London, UK.

出版信息

Research (Wash D C). 2023 Jul 18;6:0197. doi: 10.34133/research.0197. eCollection 2023.

Abstract

Three-dimensional (3D) printing is emerging as a transformative technology for biomedical engineering. The 3D printed product can be patient-specific by allowing customizability and direct control of the architecture. The trial-and-error approach currently used for developing the composition of printable inks is time- and resource-consuming due to the increasing number of variables requiring expert knowledge. Artificial intelligence has the potential to reshape the ink development process by forming a predictive model for printability from experimental data. In this paper, we constructed machine learning (ML) algorithms including decision tree, random forest (RF), and deep learning (DL) to predict the printability of biomaterials. A total of 210 formulations including 16 different bioactive and smart materials and 4 solvents were 3D printed, and their printability was assessed. All ML methods were able to learn and predict the printability of a variety of inks based on their biomaterial formulations. In particular, the RF algorithm has achieved the highest accuracy (88.1%), precision (90.6%), and F1 score (87.0%), indicating the best overall performance out of the 3 algorithms, while DL has the highest recall (87.3%). Furthermore, the ML algorithms have predicted the printability window of biomaterials to guide the ink development. The printability map generated with DL has finer granularity than other algorithms. ML has proven to be an effective and novel strategy for developing biomaterial formulations with desired 3D printability for biomedical engineering applications.

摘要

三维(3D)打印正在成为生物医学工程领域一项变革性技术。通过实现定制化以及对结构的直接控制,3D打印产品可以针对特定患者。由于需要专业知识的变量数量不断增加,目前用于开发可打印墨水成分的反复试验方法既耗时又耗资源。人工智能有潜力通过根据实验数据形成可打印性预测模型来重塑墨水开发过程。在本文中,我们构建了包括决策树、随机森林(RF)和深度学习(DL)在内的机器学习(ML)算法,以预测生物材料的可打印性。共对包含16种不同生物活性和智能材料以及4种溶剂的210种配方进行了3D打印,并评估了它们的可打印性。所有ML方法都能够根据生物材料配方学习和预测各种墨水的可打印性。特别是,RF算法达到了最高的准确率(88.1%)、精确率(90.6%)和F1分数(87.0%),表明在这3种算法中整体性能最佳,而DL的召回率最高(87.3%)。此外,ML算法还预测了生物材料的可打印性窗口,以指导墨水开发。用DL生成的可打印性图比其他算法具有更精细的粒度。事实证明,ML是一种有效且新颖的策略,可用于开发具有所需3D可打印性的生物材料配方,以用于生物医学工程应用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0790/10353544/d5837c64a7c6/research.0197.fig.001.jpg

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