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大模型时代的AI for Science:机遇、挑战与方法论反思

AI for Science in the Era of Foundation Models: Opportunities, Challenges, and Methodological Reflections

  • 摘要: 大模型(large models)的出现开始重塑人工智能(AI)在科学研究中的应用方式。与以往面向单一任务、高度依赖特定领域建模的AI for Science方法相比,大模型通过其强大的统一表征和跨任务迁移能力,使AI系统可以参与更广泛的科研环节。从知识获取到问题探索,其作用边界正在不断扩展。这一趋势不仅带来了效率上的提升,也引发了人们对科学研究方法本身的重新思考。在具体科学场景中,大模型的优势并不局限于提高预测性能,更多体现在它对复杂信息的整合能力和对研究流程的支持作用。不过,科学研究本身对可靠性、可解释性和验证机制有高度要求,这使得大模型的应用不可避免地面临新的挑战。模型输出与科学理解之间的关系、数据分布对研究方向的潜在影响,以及人机协作方式的合理边界,均成为需要认真对待的问题。本文围绕大模型时代的AI for Science,结合近年来的研究进展与典型应用实例,对AI在科学研究中的角色变化进行了梳理与分析,并进一步从方法论层面讨论其潜在机遇与局限。通过对未来发展趋势的审慎展望,本文旨在为构建更加可信、稳健的AI科学研究支持体系提供参考。

     

    Abstract: The emergence of large foundation models has begun to reshape the use of artificial intelligence in scientific research. Compared with the early AI for Science method designed for specific tasks and heavily dependent on domain-specific modeling, foundation models introduce unified representations and cross-task migration capabilities, enabling AI systems to participate in a wider range of scientific activities. Therefore, the role of AI is gradually expanding from a computational assistance to a more integrated part of the scientific research process. In the scientific context, the value of foundation models lies not only in improving predictive performance, but also in their ability to organize complex information and support exploratory research workflows. At the same time, the stringent requirements of scientific research—such as reliability, interpretability, and verifiability—pose fundamental challenges to their practical adoption. Problems such as the scientific credibility of model outputs, data-driven biases, and the boundaries of human–AI collaboration need to be carefully considered. In this context, this article discusses the evolution of foundation models in AI for Science by examining recent developments and representative application scenarios. From the perspective of methodology, it not only analyzes the opportunities of large models in scientific research, but also analyzes their inherent limitations. At the end of the discussion, a cautious outlook is made on future directions, emphasizing the importance of establishing a trustworthy AI system consistent with the core principles of scientific inquiry.

     

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