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When LLMs Learn Physics: Taming Symbolic Regression in Materials Science

Formula discovery sounds like the part of science where artificial intelligence should behave like a heroic mathematician: stare at data, discover a law, and write down a clean equation while everyone else politely applauds. That is the cinematic version. The actual engineering problem is less glamorous and much more useful. Symbolic regression already searches for equations. Given enough variables, operators, constants, and patience, it can produce formulas that fit data. The trouble is that “fits data” and “means something physically” are not the same sentence. In a high-dimensional materials dataset, symbolic regression can wander through a forest of plausible-looking algebra and return a formula that is accurate, ornate, and scientifically suspicious. A spreadsheet can also produce a trendline. We do not usually call that physics. ...

March 1, 2026 · 16 min · Zelina