由北京科学智能研究院（AISI）主办的AI for Science 系列学术讲座第四期暨AI4Science大会预热报告，将于北京时间2022年7月27日（周三）09:00-11:00 举办。本次讲座主题为「SIMULATION VS UNDERSTANDING: A TENSION, AND NOT JUST IN OUR PROFESSION」，由诺贝尔化学奖得主Roald Hoffmann教授主讲。

本系列讲座将持续邀请不同领域的专家学者，为大家带来丰富的学术分享，共同探索人工智能与科学研究结合的新可能，欢迎大家关注。

讲座主题

SIMULATION VS UNDERSTANDING: A TENSION, AND NOT JUST IN OUR PROFESSION

讲座时间

北京时间7月27日（周三），09:00-11:00

主讲嘉宾

Roald Hoffmann was born in 1937 in Złoczów, Poland. Having survived World War II, he came to the U. S. in 1949, and studied chemistry at Columbia and Harvard Universities (Ph.D. 1962).  Since 1965 he is at Cornell University, now as the Frank H. T. Rhodes Professor of Humane Letters, Emeritus.  He has received many of the honors of his profession, including the 1981 Nobel Prize in Chemistry (shared with Kenichi Fukui).

At Cornell, Hoffmann taught introductory chemistry half of his time. Notable also  is his reaching out to the general public; he was the presenter, for example, of a television course in chemistry titled "The World of Chemistry," shown widely since 1990.

As a writer, Hoffmann has carved out a land between science, poetry, and philosophy, through many essays, five non-fiction books, three plays and seven published collection of poetry, including bilingual Spanish-English and Russian-English editions published in Madrid and Moscow.

Hoffmann教授于1937年出生于波兰（今乌克兰）佐洛乔夫，幸免于二战，1949年移居美国，并在哥伦比亚大学和哈佛大学化学专业学习，1962年获博士学位。自1965年以来，Hoffmann教授一直在康奈尔大学任教，他现在是人文文学的Frank H. T. Rhodes教授。他曾获得专业领域内包括1981年的诺贝尔化学奖(与福井谦一共同获得)在内的许多荣誉。

在康奈尔大学，Hoffmann教授有一半的时间来教授化学导论课。同时，Hoffmann教授也是一位自1990年以来就广泛播出的电视课程“化学世界”的主持人。

作为一名作家，Hoffmann教授在科学、诗歌和哲学之间开辟了一片天地，写了许多散文、五本纪实文学著作和三部戏剧，并且出版了七本诗集，其中包括在马德里和莫斯科出版的西班牙语-英语双语版和俄语-英语双语版。

内容提要

At times it feels like there is a wave, crashing down on us, and not just in our field, quantum chemistry. The wave is driven by information technology; its arms are machine learning, neural networks, and artificial intelligence. Soon quantum computers  are going to bring us exact numerical solutions to equations which we have been struggling to solve. But those numbers -- now hard-won, soon easy to get — will provide close to zero understanding. To justify this provocative statement, we need to define understanding, a jewel of human thought for centuries. The ability to form explanations, to teach a student, play an important part of the definition.

In this lecture, based on three essays with Jean-Paul Malrieu (Angewandte Chemie, 59, 12590-125610, 13156-13178, 13694-13710 (2020).), we will move from the words, and philosophical ideas around them, to the practical way in which simulation interacts with experiment today. I will describe the feeling of being beaten by computers, not just in playing chess or go, but in the process of searching for a new chemical structure, The tension between simulation and understanding is there, of course, not only in chemistry – I will give examples of from economics, commerce,  and “big data.” There are deep moral implications  of AI and IT for all of us. No solutions at the end, just a recognition of the problem, and a plea to stay human. Chemistry’s streak of creation provides in that conjoined future a passage to art and to perceiving, as Jean-Paul and I argue, the sacred in science.

近年来，包括我们所熟悉的量子化学在内的各个领域，都在受到由信息技术所带来的巨大冲击；它的主要力量来源于机器学习、神经网络和人工智能。在不久的将来，量子计算机将会带来我们一直努力尝试解开的方程的精确数值解。但这些，目前无法解决将来却唾手可得的数值解，却难以给人类带来任何理解上的提升。为了证实这具有挑衅色彩的言论，我们需要定义“理解”，这块数百年来人类思想的宝藏。其中形成解释、教书育人是“理解”定义中一个非常重要的组成部分。

本次讲座将基于Jean-Paul Malrieu的三篇文章 (Angewandte Chemie, 59, 12590-125610, 13156-13178, 13694-13710 (2020))。我们将会从文本和文本中蕴含的哲学思想出发，扩展到当今模拟与实验交互的实际方式。我将会描述自己被计算机打败时的感受，不仅是在下象棋和围棋，更是在寻找新的化学结构的过程的时候。计算模拟与人类理解的矛盾一直存在，而且不仅在化学中，我将会从经济、商业和大数据中举例。人工智能和信息科学对我们所有人都有着深远的道德影响。这里没有最终的解决方案，只有认清问题的本质，并恳请大家遵循人性。正如Jean-Paul 和我所说，化学的创造力是在我们共同的未来欣赏与感知世界的重要途径。而在这途径的背后，是科学的神圣性。

线上渠道

https://us02web.zoom.us/j/8746238422?pwd=R2NnemYwOElGWEJ3WUNFbmYyYnkwQT09

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2022首届科学智能峰会预告

大会将于8月8日至8月11日采用线上直播和部分线下的形式举办。在论坛期间，AI4S全球发展报告及多项创新成果将重磅发布。此外，首届科学智能峰还将开设“生物计算”、“工业仿真”、“材料计算”、“科学创新前沿”、“基础设施建设”和“产业化落地的机遇与挑战”这六大主题分论坛。届时多名嘉宾将参加大会并发表演讲，供各领域的专家学者交流讨论。

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