Standard compression algorithm could revolutionize physical and biological computations, researchers

erek

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Universal and Accessible Entropy Estimation Using a Compression Algorithm

"Entropy and free-energy estimation are key in thermodynamic characterization of simulated systems ranging from spin models through polymers, colloids, protein structure, and drug design. Current techniques suffer from being model specific, requiring abundant computation resources and simulation at conditions far from the studied realization. Here, we present a universal scheme to calculate entropy using lossless-compression algorithms and validate it on simulated systems of increasing complexity. Our results show accurate entropy values compared to benchmark calculations while being computationally effective. In molecular-dynamics simulations of protein folding, we exhibit unmatched detection capability of the folded states by measuring previously undetectable entropy fluctuations along the simulation timeline. Such entropy evaluation opens a new window onto the dynamics of complex systems and allows efficient free-energy calculations."

https://phys.org/news/2019-12-standard-compression-algorithm-revolutionize-physical.html
 

clockdogg

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Calculating entropy takes too much energy. I was exhausted just reading about it
 
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1_rick

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Here, we present a universal scheme to calculate entropy using lossless-compression algorithms and validate it on simulated systems of increasing complexity.
"Please buy into our new idea for vendor lock-in!"
 
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