NSF ChemData/AI Researcher Meeting: Evaluate Progress and Think About What the Future Brings

NSF ChemData/AI 研究员会议：评估进展并思考未来会带来什么

• 批准号: 2141961
• 负责人: Adrian Roitberg
• 金额: $ 4.42万
• 依托单位: University of Florida
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-09-01 至 2022-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2141961&HistoricalAwards=false
• 关键词: NSF; ChemData; AI; Researcher; Meeting

Professor Adrian Roitberg of the University of Florida and Professor Facundo Fernandez of the Georgia Institute of Technology are supported by the Chemistry Division - Office of Special Projects, to organize a online workshop entitled 'NSF ChemData/AI Researcher Meeting: Evaluate Progress and Think about what the Future Brings.' In the context of recent investments by the Division of Chemistry of NSF to encourage in the application of Data, Machine Learning (ML), and Artificial Intelligence (AI) sciences for chemistry research, the PIs are engaging again the frontline researchers to catalyze a discussion and identify research directions that may inspire more creative use or adaptation of modern data science tools toward new chemical understanding and research directions. The objective is to gather expert advice from AI/ML practitioners in the broadly defined chemistry arena, to stimulate discussion about the role of Data science in chemistry, and to think critically about lessons learned and future endeavors. The workshop participants will explore what are the critical areas of strength, what are the opportunities, and perhaps more importantly, what are areas of chemistry where AI/ML has yet to make an impact, and yet, that are ripe for future efforts, from the standpoints of research, facilities and resources, and workforce development. The outcome of the workshop will be a report available to the chemistry community and to the NSF that highlights research directions, needs, gaps, and opportunities. The use of AI/ML tools in the chemistry enterprise is in its infancy but is expected to start to occupy a central role in the near future. Making sure that the community is involved in discussions can accelerate discovery and potentially influence policies. The results of this workshop will be advertised broadly, and will end in a document that will present the current thoughts of leaders in the field, and can serve as a roadmap for a future AI/ML-involved chemical enterprise.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

佛罗里达大学的Adrian Roitberg教授和佐治亚理工学院的Facundo Fernandez教授在化学部门特别项目办公室的支持下，组织了一个名为“NSF化学数据/人工智能研究员会议：评估进展并思考未来带来什么”的在线研讨会。在NSF化学学部最近投资鼓励数据、机器学习（ML）和人工智能（AI）科学在化学研究中的应用的背景下，pi再次与一线研究人员合作，催化讨论并确定研究方向，这些研究方向可能会激发更多创造性地使用或适应现代数据科学工具，以实现新的化学理解和研究方向。目的是收集广泛定义的化学领域的AI/ML从业者的专家建议，激发关于数据科学在化学中的作用的讨论，并批判性地思考经验教训和未来的努力。研讨会的参与者将探讨哪些是关键的优势领域，哪些是机会，也许更重要的是，从研究、设施和资源以及劳动力发展的角度来看，哪些是人工智能/机器学习尚未产生影响的化学领域，但这些领域未来的努力已经成熟。研讨会的结果将是一份报告，提供给化学社区和NSF，突出研究方向，需求，差距和机会。人工智能/机器学习工具在化学企业中的使用尚处于起步阶段，但预计在不久的将来将开始占据核心地位。确保社区参与讨论可以加速发现并潜在地影响政策。本次研讨会的成果将被广泛宣传，并将以一份文件结束，该文件将展示该领域领导者的当前想法，并可以作为未来涉及人工智能/机器学习的化工企业的路线图。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。