Pak would help set the topic, but both he and Zou wanted to see what approaches the Virtual Lab could come up with on its own. As a first project, they decided to focus on designing therapies for new covid-19 strains. With this goal in mind, Zou set off training five AI scientists (including ones trained to act like an immunologist, a computational biologist, and a principal investigator) with different objectives and programs at their disposal.
Building these models took a few months, but Pak says they were very quick at designing candidates for therapies once the setup was complete: “I think it was a day or half a day, something like that.”
Zou says the agents decided to study anti-covid nanobodies, a cousin of antibodies that are much smaller in size and less common in the wild. Zou was shocked, though, at the reason. He claims the models landed on nanobodies after making the connection that these smaller molecules would be well-suited to the limited computational resources the models were given. “It actually turned out to be a good decision, because the agents were able to design these nanobodies efficiently,” he says.
The nanobodies the models designed were genuinely new advances in science, and most were able to bind to the original covid-19 variant, according to the study. But Pak and Zou both admit that the main contribution of their article is really the Virtual Lab as a tool. Yi Shi, a pharmacologist at the University of Pennsylvania who was not involved in the work but made some of the underlying nanobodies the Virtual Lab modified, agrees. He says he loves the Virtual Lab demonstration and that “the major novelty is the automation.”
Nature accepted the article and fast-tracked it for publication preview—Zou knew leveraging AI agents for science was a hot area, and he wanted to be one of the first to test it.
The AI scientists host a conference
When he was submitting his paper, Zou was dismayed to see that he couldn’t properly credit AI for its role in the research. Most conferences and journals don’t allow AI to be listed as coauthors on papers, and many explicitly prohibit researchers from using AI to write papers or reviews. Nature, for instance, cites uncertainties over accountability, copyright, and inaccuracies among its reasons for banning the practice. “I think that’s limiting,” says Zou. “These kinds of policies are essentially incentivizing researchers to either hide or minimize their usage of AI.”
Zou wanted to flip the script by creating the Agents4Science conference, which requires the primary author on all submissions to be an AI. Other bots then will attempt to evaluate the work and determine its scientific merits. But people won’t be left out of the loop entirely: A team of human experts, including a Nobel laureate in economics, will review the top papers.
