炼金术士、科学家和机器人:在自动驾驶聚合物实验室中探索人类与人工智能共生的潜力。

IF 4.3 3区 化学 Q2 POLYMER SCIENCE
Bahar Dadfar, Berna Alemdag, Gözde Kabay
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引用次数: 0

摘要

聚合物化学研究经历了三个方法论时代:炼金术士的直觉试错,科学家的基于规则的设计,以及机器人的算法导向自动化。虽然将组合化学与实验统计设计相结合的方法为聚合物发现提供了一种系统的方法,但它们在复杂的设计空间中挣扎,避免了人为的偏见,并且扩大了规模。作为回应,该学科采用了自动化和人工智能(AI),最终形成了自动驾驶实验室(sdl),将高通量实验整合到闭环、人工智能辅助的设计-构建-测试-学习周期中,从而实现了对化学空间的快速探索。然而,虽然SDLs解决了吞吐量和复杂性的挑战,但它们引入了原始问题的新形式:算法偏差取代了人类偏差,数据稀疏性对设计空间导航造成了限制,黑盒人工智能模型产生了透明度问题,使解释复杂化。这些挑战强调了一个关键点:没有人类的参与,完全的算法自治是不够的。人类的直觉、伦理判断和领域专业知识对于建立研究目标、识别异常和确保遵守伦理约束至关重要。这种观点支持基于共生自治的混合模型,在这种模型中,人类和人工智能之间的自适应协作增强了信任、创造力和可重复性。通过将人类推理纳入自适应人工智能辅助SDL工作流程,下一代自主聚合物发现不仅更快,而且更明智。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The Alchemist, the Scientist, and the Robot: Exploring the Potential of Human-AI Symbiosis in Self-Driving Polymer Laboratories.

Polymer chemistry research has progressed through three methodological eras: the alchemist's intuitive trial-and-error, the scientist's rule-based design, and the robot's algorithm-guided automation. While approaches combining combinatorial chemistry with statistical design of experiments offer a systematic approach to polymer discovery, they struggle with complex design spaces, avoid human biases, and scale up. In response, the discipline has adopted automation and artificial intelligence (AI), culminating in self-driving laboratories (SDLs), integrating high-throughput experimentation into closed-loop, AI-assisted design-build-test-learn cycles, enabling the rapid exploration of chemical spaces. However, while SDLs address throughput and complexity challenges, they introduce new forms of the original problems: algorithmic biases replace human biases, data sparsity creates constraints on design space navigation, and black-box AI models create transparency issues, complicating interpretation. These challenges emphasize a critical point: complete algorithmic autonomy is inadequate without human involvement. Human intuition, ethical judgment, and domain expertise are crucial for establishing research objectives, identifying anomalies, and ensuring adherence to ethical constraints. This perspective supports a hybrid model grounded in symbiotic autonomy, where adaptive collaboration between humans and AI enhances trust, creativity, and reproducibility. By incorporating human reasoning into adaptive AI-assisted SDL workflows, next-generation autonomous polymer discovery will be not only faster but also wiser.

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来源期刊
Macromolecular Rapid Communications
Macromolecular Rapid Communications 工程技术-高分子科学
CiteScore
7.70
自引率
6.50%
发文量
477
审稿时长
1.4 months
期刊介绍: Macromolecular Rapid Communications publishes original research in polymer science, ranging from chemistry and physics of polymers to polymers in materials science and life sciences.
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