Undergrad Finding global minima of nth degree polynomials

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SUMMARY

Finding global minima of nth degree polynomials, represented as $$a_nx^n + a_{n-1}x^{n-1} + ... + a_2x^2 + a_1x + a_0 = 0$$, is feasible but complex, particularly in computational chemistry for predicting conformational energy levels. The process involves determining the zeroes of the first derivatives, which can become challenging with higher degrees. While some polynomials lack global minima, local minima are often sufficient for practical applications. For polynomials constrained to a compact subset of ℝ, global extrema can be identified among local extrema or boundary values.

PREREQUISITES
  • Understanding of polynomial functions and their derivatives
  • Familiarity with concepts of local and global extrema
  • Knowledge of computational methods for numerical analysis
  • Basic principles of polynomial regression in computational chemistry
NEXT STEPS
  • Explore numerical methods for finding polynomial roots, such as Newton's method
  • Study the application of polynomial regression in predicting molecular conformations
  • Investigate optimization techniques for identifying local and global minima
  • Learn about the implications of compact subsets in real analysis for extrema finding
USEFUL FOR

Researchers in computational chemistry, mathematicians focusing on optimization problems, and data scientists utilizing polynomial regression for predictive modeling will benefit from this discussion.

Mayhem
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Is it possible (read: reasonably easy) to find global minima of an nth degree polynomial of the general form $$a_nx^n + a_{n-1}x^{n-1} ... a_2x^2 +a_1x + a_0 = 0$$ It seems to have applications in computational chemistry as I have a "hunch" that polynomial regression could be used to somewhat accurately predict the lowest conformational energy levels of complicated molecules.

Inspiration for this hunch:

1606155042698.png

Finding extrema for a given polynomial requires finding zeroes of its first derivatives. I heard this gets difficult quickly.

Any input? This is purely out of curiosity.
 
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Mayhem said:
Is it possible (read: reasonably easy) to find global minima of an nth degree polynomial of the general form $$a_nx^n + a_{n-1}x^{n-1} ... a_2x^2 +a_1x + a_0 = 0$$ It seems to have applications in computational chemistry as I have a "hunch" that polynomial regression could be used to somewhat accurately predict the lowest conformational energy levels of complicated molecules.

Of course, some polynomials like ##f(x) = x^3## and ##f(x) = -2x^2## do not have global minima. From you graph, it looks like local minima are what is useful.

As far as finding approximate solutions for the extrema of polynomials using computers, this is well known territory.

As far as writing an answer as a one-line formula in symbols using common mathematical functions, this is not easy and not even possible using what most people regard as common mathematical functions.
 
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If you restrict your polynomials to a compact subset of ℝ (closed and bounded), global extrema can be found either among the local extrema or among the values on the border of the subset.
 
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