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This is done across many disciplines to try and aide in new discovery paths. Typically you’re limited in exactly what you can simulate and often times solution candidates may be found that are impractical, currently impossible, or perhaps actually impossible to produce. Sometimes you can add search constraints to tie simulations together to narrow down such false positive solutions found but not always. Heck in some cases it’s literally cheaper and more accurate to do the bench science no matter how alluring virtualized renditions may be.

Most fields are still left with piles and piles of potential solutions to sort through. They often select candidates that are the cheapest and most practical to approach or they have high suspicion of success and pursue those. At the end of the day though we don’t have full universe simulators at every scale we’d want, we have very specific area simulators within very specific bounds. You have to go out an empirically test these things.

But this is and has already been going on for decades across most disciplines I’ve interacted with, they just weren’t using DNN or LLMs at the time but domains are adopting these as well to leverage where feasible in the search process.

I work with a variety of people interested in leveraging simulation and everyone wants to take the successes they see in LLMs or say RL from AlphaStar or AlphaGo and apply them in their domain. It’s alluring, I get it, the issue is that we often lack enough real understanding in domains and the science isn’t as airtight and people think it is, its too general or narrow, or on some cases we have good suspicion of how to build better more accurate simulations but there’s not enough compute power or energy in the world to make them currently practical, so we need to take some tradeoffs and live with less accurate and detailed simulation which leads to inaccurate representations of reality and ultimately inaccurate solution suggestion candidates.




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