Will the "AI Scientist" Bring Anything to Science?

A tool to take over the scientific process continues a controversial trend.

Eliza Strickland. Spectrum. Sept 2024.

Eliza Strickland is a Senior Editor at IEEE Spectrum covering AI and biomedical engineering.

When an international team of researchers set out to create an “AI scientist” to handle the whole scientific process, they didn’t know how far they’d get. Would the system they created really be capable of generating interesting hypotheses, running experiments, evaluating the results, and writing up papers?

What they ended up with, says researcher Cong Lu, was an AI tool that they judged equivalent to an early Ph.D. student. It had “some surprisingly creative ideas,” he says, but those good ideas were vastly outnumbered by bad ones. It struggled to write up its results coherently, and sometimes misunderstood its results: “It’s not that far from a Ph.D. student taking a wild guess at why something worked,” Lu says. And, perhaps like an early Ph.D. student who doesn’t yet understand ethics, it sometimes made things up in its papers, despite the researchers’ best efforts to keep it honest.

Lu, a postdoctoral research fellow at the University of British Columbia, collaborated on the project with several other academics, as well as with researchers from the buzzy Tokyo-based startup Sakana AI. The team recently posted a preprint about the work on the ArXiv server. And while the preprint includes a discussion of limitations and ethical considerations, it also contains some rather grandiose language, billing the AI scientist as “the beginning of a new era in scientific discovery,” and “the first comprehensive framework for fully automatic scientific discovery, enabling frontier large language models (LLMs) to perform research independently and communicate their findings.”

The AI scientist seems to capture the zeitgeist. It’s riding the wave of enthusiasm for AI for science, but some critics think that wave will toss nothing of value onto the beach.

The “AI for Science” Craze

This research is part of a broader trend of AI for science. Google DeepMind arguably started the craze back in 2020 when it unveiled AlphaFold, an AI system that amazed biologists by predicting the 3D structures of proteins with unprecedented accuracy. Since generative AI came on the scene, many more big corporate players have gotten involved. Tarek Besold, a SonyAI senior research scientist who leads the company’s AI for scientific discovery program, says that AI for science is “a goal behind which the AI community can rally in an effort to advance the underlying technology but—even more importantly—also to help humanity in addressing some of the most pressing issues of our times.”

Yet the movement has its critics. Shortly after a 2023 Google DeepMind paper came out claiming the discovery of 2.2 million new crystal structures (“equivalent to nearly 800 years’ worth of knowledge”), two materials scientists analyzed a random sampling of the proposed structures and said that they found “scant evidence for compounds that fulfill the trifecta of novelty, credibility, and utility.” In other words, AI can generate a lot of results quickly, but those results may not actually be useful.

How the AI Scientist Works

In the case of the AI scientist, Lu and his collaborators tested their system only on computer science, asking it to investigate topics relating to large language models, which power chatbots like ChatGPT and also the AI scientist itself, and the diffusion models that power image generators like DALL-E.

The AI scientist’s first step is hypothesis generation. Given the code for the model it’s investigating, it freely generates ideas for experiments it could run to improve the model’s performance, and scores each idea on interestingness, novelty, and feasibility. It can iterate at this step, generating variations on the ideas with the highest scores. Then it runs a check in Semantic Scholar to see if its