Look for a library that can be used to do the graph algorithms that are used to speed up Reduce

russell-taylor commented 3 years ago

Contact Jack to see which ones he recommends. Once we have some options, check with the LBL folks for what they use and which of our choices they recommend or are familiar with.

The part that finds the locations in space that you should run probe on to determine the best ones. It hands back the singles and sets of groups that are joined by a single arc in the graph. Separate code provides the graph structure of each clique. See the paper describing how this all works.

russell-taylor commented 3 years ago

Finding the cliques is not the hard part

russell-taylor commented 3 years ago

Emailed Jack asking for a meeting early next week to discuss.

russell-taylor commented 3 years ago

There is a Boost graph library that uses the Boost license. A discussion at https://stackoverflow.com/questions/1499878/use-a-graph-library-node-network-library-or-write-my-own talks about using the bundled properties to make things easier. They also recommend the book https://www.amazon.com/dp/0201729148 which may also be available online at https://www.boost.org/doc/libs/1_75_0/libs/graph/doc/index.html.
igraph.org has C, C++, and Python interfaces with unit tests and recent updates and uses the GPL 2.0 license.

There is a list of options at https://softwarerecs.stackexchange.com/questions/30347/a-modernish-c-graph-representation-and-manipulation-library responding to a question from 4 years ago (edited 11 days ago), including:

http://lemon.cs.elte.hu/trac/lemon/ (last news was in 2014)
https://www.tbi.univie.ac.at/software/GGL/ (last release 2017)
http://snap.stanford.edu/snap/index.html (last release Sec 2020) using a BSD license
https://github.com/grame-cncm/digraph (started in 2020) using a BSD license

russell-taylor commented 3 years ago

Trick for doing hypregraphs in Boost: https://stackoverflow.com/questions/21175892/hypergraph-support-in-boost-library

russell-taylor commented 3 years ago

Hypergraph library: https://github.com/alex-87/HyperGraphLib

russell-taylor commented 3 years ago

Consider using subsets for the hyperedges and doing this as sets operations.

russell-taylor commented 3 years ago

Looking for the vertex cuts directly solved the problem.

ReliaSolve / Molprobity2

Look for a library that can be used to do the graph algorithms that are used to speed up Reduce #84