From forecasting storms to designing molecules: How new AI foundation models can speed up scientific discovery









People have always looked for patterns to explain the universe and to predict the future. “Red sky at night, sailor’s delight. Red sky in morning, sailor’s warning” is an adage predicting the weather.

AI is very good at seeing patterns and making predictions. Now, Microsoft researchers are working to apply “foundation models” – large-scale models that take advantage of recent AI advances – to scientific disciplines. These models are trained on a wide variety of data and can excel at many tasks, in contrast to more specialized models. They have the potential to generate answers in a fraction of the time traditionally required and help solve more sophisticated problems.

Some of the wildly different scientific disciplines that are promising for advancement through AI include materials science, climate science and healthcare and life sciences. Experts say foundation models tailored to these disciplines will speed up the process of scientific discovery, allowing them to more quickly create practical things like medications, new materials or more accurate weather forecasts but also to better understand atoms, the human body or the Earth. Currently, many of these models are still under development at Microsoft Research, and the first, a weather model called Aurora, is already available.

AI is a tool in your arsenal that can support you,” said Bonnie Kruft, partner and deputy director at Microsoft Research who helps oversee its AI for Science lab. “The idea is that we’re working on very science-specific models rather than language-specific models. We’re seeing this amazing opportunity to move beyond traditional human language-based large models into a new paradigm that employs mathematics and molecular simulations to create an even more powerful model for scientific discovery.”

Recent AI advances that have allowed people to plan parties or generate graphic presentations with a few conversational prompts or get instant summaries of meetings they’ve missed were initially powered by a new class of AI models known as large language models (LLMs). This type of foundation model is trained on huge amounts of text to perform a wide variety of language-related tasks. Now, Microsoft researchers are discovering how some of these same AI architectures and approaches can fuel advances in scientific discovery.

“Large language models have two remarkable properties that are very useful. The first one is, of course, they can generate and can understand human language, so they provide a wonderful human interface to very sophisticated technologies. But the other property of large language models – and I think this came as a big surprise to many of us – is that they can function as effective reasoning engines. And, of course, that’s going to be very useful in scientific discovery,” said Chris Bishop, technical fellow and director of Microsoft Research AI for Science, at a keynote to the Microsoft Research Forum earlier this year.

At first, AI researchers thought that very specific models trained to perform a narrow task – like the ones that could win at chess or backgammon (but not both), or those that could translate languages or transcribe recordings (but not both) – would outperform larger generalized models like LLMs. But the opposite turned out to be true – there was no need to train one model to answer questions or summarize research about law, another in physics and another in Shakespeare because one large, generalized model was able to outperform across different subjects and tasks. Now, researchers are investigating the possibility that foundation models can do the same for science.

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