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Research map / Probabilistic and scientific modeling / Molecules and proteins

Neural Symbolic Regression that scales

ICML 2021 · Probabilistic and scientific modeling › Molecules and proteins · approach: Statistical analysis of ML practice · 26 citations (OpenAlex)

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Measured effects reported in the paper

What was changedWhereMeasuredEffect
Increase pre-training data from 10K to 10M equation skeletonsNeSymReS · Five test datasetsaccuracyHelped
Use pre-training on procedurally generated equationsNeSymReS · Five test datasetsaccuracy and test-time efficiencyHelped
Increase the number of input-output pairs available at test timeNeSymReS · Five test datasetsaccuracyHelped
Use NeSymReS rather than Genetic ProgrammingSymbolic regression on AI-Feynman · AI-Feynmantime to reach maximum accuracy: more than three orders of magnitudes fasterHelped
Use Gaussian Process regression rather than symbolic regressionGaussian Processes · In-distribution versus out-of-distribution evaluationaccuracyMixed
Use NeSymReS with a prior favoring equations containing constants on equations without constantsNeSymReS · SOOSE-NCaccuracyHurt
Use NeSymReS rather than other tested baselinesSymbolic regression · NguyenaccuracyHelped
Increase test-time computeNeSymReS · Five test datasetsaccuracyHelped

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