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PhylogeneticTrees.m2
-- -*- utf-8 -*- newPackage( "PhylogeneticTrees", Version => "2.0", Date => "November 15, 2019", Headline => "invariants for group-based phylogenetic models", --HomePage => "", Authors => { {Name => "Hector Baños", Email => "hbanos@gatech.edu"}, {Name => "Nathaniel Bushek", Email => "nbushek@css.edu"}, {Name => "Ruth Davidson", Email => "ruth.davidson.math@gmail.com"}, {Name => "Elizabeth Gross", Email => "egross@hawaii.edu"}, {Name => "Pamela Harris", Email => "peh2@williams.edu"}, {Name => "Robert Krone", Email => "rckrone@gmail.com"}, {Name => "Colby Long", Email => "clong@wooster.edu"}, {Name => "AJ Stewart", Email => "stewaral@seattleu.edu"}, {Name => "Robert Walker", Email => "robmarsw@umich.edu"} }, Keywords => {"Applied Algebraic Geometry"}, PackageImports => { "Isomorphism", "FourTiTwo" }, PackageExports => { "Graphs", "Posets" }, Certification => { "journal name" => "The Journal of Software for Algebra and Geometry", "journal URI" => "https://msp.org/jsag/", "article title" => "Phylogenetic trees", "acceptance date" => "8 August 2020", "published article URI" => "https://msp.org/jsag/2021/11-1/p01.xhtml", "published article DOI" => "10.2140/jsag.2021.11.1", "published code URI" => "https://msp.org/jsag/2021/11-1/jsag-v11-n1-x01-PhylogeneticTrees.m2", "release at publication" => "abdf0903e7ffc31568c0cc4beb181368d943cb8d", -- git commit number in hex "version at publication" => "2.0", "volume number" => "11", "volume URI" => "https://msp.org/jsag/2021/11-1/" } ) export { "qRing", "pRing", "secant", "joinIdeal", "phyloToricFP", "phyloToric42", "phyloToricLinears", "phyloToricQuads", "phyloToricRandom", "phyloToricAMatrix", "toricSecantDim", "toricJoinDim", "Model", "CFNmodel", "JCmodel", "K2Pmodel", "K3Pmodel", "leafColorings", "model", "buckets", "group", "LeafTree", "leafTree", "internalEdges", "internalVertices", "edgeCut", "vertexCut", "edgeContract", "QRing", "fourierToProbability", "labeledTrees", "labeledBinaryTrees", "rootedTrees", "rootedBinaryTrees", "unlabeledTrees", --"isIsomorphic" } protect \ {Group, Automorphisms, AList, Buckets} -------------------------------------------------------------------- Model = new Type of HashTable LeafTree = new Type of List group = method() group(Model) := M -> M.Group buckets = method() buckets(Model) := M -> M.Buckets aList = (M,g) -> M.AList#g model = method() model(List,List,List) := (G,buckets,auts) -> ( modelAuts := hashTable for l in auts list ( l#0 => (hashTable for i to #G-1 list G#i => G#(l#1#i))); AL := hashTable for g in G list ( g => apply(buckets, b->if member(g,b) then 1 else 0)); new Model from hashTable { Group => G, Buckets => buckets, Automorphisms => modelAuts, AList => AL } ) --ZZ/2 models F0 = 0_(ZZ/2) F1 = 1_(ZZ/2) ZZ2 = {F0,F1} --CFN CFNmodel = model(ZZ2, {{F0}, {F1}}, {}) --ZZ/2 x ZZ/2 models F00 = {0_(ZZ/2),0_(ZZ/2)} F01 = {0_(ZZ/2),1_(ZZ/2)} F10 = {1_(ZZ/2),0_(ZZ/2)} F11 = {1_(ZZ/2),1_(ZZ/2)} ZZ2ZZ2 = {F00,F01,F10,F11} --Jukes-Cantor JCmodel = model(ZZ2ZZ2, {{F00}, {F01,F10,F11}}, { ({1,2},{0,2,1,3}), ({1,3},{0,3,2,1}), ({2,1},{0,2,1,3}), ({2,3},{0,1,3,2}), ({3,1},{0,3,2,1}), ({3,2},{0,1,3,2})}) --Kimura 2-parameter K2Pmodel = model(ZZ2ZZ2, {{F00}, {F01}, {F10,F11}}, { ({2,3},{0,1,3,2}), ({3,2},{0,1,3,2})}) --Kimura 3-parameter K3Pmodel = model(ZZ2ZZ2, {{F00}, {F01}, {F10}, {F11}}, {}) qRing = method(Options=>{Variable=>null}) qRing(LeafTree,Model) := opts -> (T,M) -> qRing(#(leaves T),M,opts) qRing(ZZ,Model) := opts -> (n,M) -> ( qList := leafColorings(n,M); q := opts.Variable; if q === null then q = getSymbol "q"; qRingFromList(qList,M,q) ) qRingFromList = (qList,M,q) -> ( G := group M; Ghash := hashTable apply(#G,i->(G#i=>i)); QQ(monoid[apply(qList, qcolors -> (qindex := apply(qcolors, c->Ghash#c); q_qindex))]) ) pRing = method(Options=>{Variable=>null}) pRing(LeafTree,Model) := opts -> (T,M) -> pRing(#(leaves T),M,opts) pRing(ZZ,Model) := opts -> (n,M) -> ( G := group M; pList := (n:0)..(n:#G-1); p := opts.Variable; if p === null then p = getSymbol "p"; QQ(monoid[apply(pList, pindex->p_pindex)]) ) fourierToProbability = method() fourierToProbability(Ring,Ring,ZZ,Model) := (S,R,n,M) -> ( if not member(M, set{CFNmodel, JCmodel, K2Pmodel, K3Pmodel}) then error "model must be CFNmodel, JCmodel, K2Pmodel, or K3Pmodel"; K := keys M; G := M#(K_1); qList := leafColorings(n,M); Ghash := hashTable apply(#G,i->(G#i=>i)); varIndex := apply(qList, qcolors -> apply(qcolors, c->Ghash#c)); L := (n:0)..(n:#G-1); Char := matrix{ {1,1,1,1}, {1,-1,1,-1}, {1,1,-1,-1}, {1,-1,-1,1}}; SubVars := for vi in varIndex list ( sum for i to #L-1 list ( s := product(n, j->(Char_(vi#j, (L#i)#j))); if s>0 then S_i else -S_i ) ); map(S,R,matrix{SubVars}) ) phyloToric42 = method(Options=>{QRing=>null}) phyloToric42(ZZ,List,Model) := opts -> (n,E,M) -> phyloToric42(leafTree(n,E),M,opts) phyloToric42(Graph,Model) := opts -> (G,M) -> phyloToric42(leafTree G,M,opts) phyloToric42(LeafTree,Model) := opts -> (T,M) -> ( A := phyloToricAMatrix(T,M); S := if opts.QRing =!= null then opts.QRing else qRing(T,M); toricMarkov(A,S) ) phyloToricAMatrix = method() phyloToricAMatrix(ZZ,List,Model) := (n,E,M) -> phyloToricAMatrix(leafTree(n,E),M) phyloToricAMatrix(Graph,Model) := (G,M) -> phyloToricAMatrix(leafTree G,M) phyloToricAMatrix(LeafTree,Model) := (T,M) -> ( ECs := edgeColorings(T,M); A := for ec in ECs list flatten for g in ec list aList(M,g); transpose matrix A ) leafColorings = method() leafColorings(LeafTree,Model) := (T,M) -> leafColorings(#(leaves T),M) leafColorings(ZZ,Model) := (n,M) -> ( G := group M; qList := toList(((n-1):0)..((n-1):(#G-1))); -- list of q variable indices for qindex in qList list ( qcolors := apply(qindex,j->G#j); append(qcolors,sum toList qcolors) ) ) --List all consistent edge colorings of a tree edgeColorings = (T,M) -> ( L := leavesList T; Lhash := hashTable apply(#L, i->L#i=>i); qList := leafColorings(T,M); for qcolors in qList list for e in edges T list ( sum apply(toList e, l->qcolors#(Lhash#l)) ) ) -- Uses Local Structure of Invariants (Theorem 24 in Stumfels and Sullivant) to inductively determine the ideal of -- phylogenetic invariants for any k-valent tree -- with three types of generators: linear, quadratic and claw tree generators phyloToricFP = method(Options=>{QRing=>null}) phyloToricFP(ZZ,List,Model) := opts -> (n,E,M) -> phyloToricFP(leafTree(n,E),M,opts) phyloToricFP(LeafTree,Model) := opts -> (T,M) -> ( S := if opts.QRing =!= null then opts.QRing else qRing(#(leaves T),M); Inv1 := phyloToricLinears(T,M,QRing=>S); Inv2 := phyloToricQuads(T,M,QRing=>S); Inv3 := phyloToricClaw(T,M,QRing=>S); gensList := Inv1|Inv2|Inv3; ideal gensList ) phyloToricLinears = method(Options=>{QRing=>null,Random=>false}) phyloToricLinears(ZZ,List,Model) := opts -> (n,E,M) -> phyloToricLinears(leafTree(n,E),M,opts) phyloToricLinears(LeafTree,Model) := opts -> (T,M) -> ( S := if opts.QRing =!= null then opts.QRing else qRing(T,M); ECs := edgeColorings(T,M); P := partition(i -> for g in ECs#i list aList(M,g), toList(0..#ECs-1)); gensList := flatten for p in values P list ( if #p < 2 then continue; for j to #p-2 list sub(S_(p#j)-S_(p#(j+1)),S) ); if not opts.Random then gensList else randomElement gensList ) -- Produce the "edge invariants", quadratic invariants for each internal edge of T phyloToricQuads = method(Options=>{QRing=>null,Random=>false}) phyloToricQuads(ZZ,List,Model) := opts -> (n,E,M) -> phyloToricQuads(leafTree(n,E),M,opts) phyloToricQuads(LeafTree,Model) := opts -> (T,M) -> ( S := if opts.QRing =!= null then opts.QRing else qRing(T,M); quadTemplates := apply(#(group M), g->({{g,g},{g,g}},{{g,g},{g,g}},{0,3,2,1})); if opts.Random then quadTemplates = randomElement quadTemplates; newl := symbol newl; intEdges := internalEdges T; if opts.Random then intEdges = randomElement intEdges; gensList := flatten for e in intEdges list ( P := edgeCut(T,e,newl); fillTemplates(T,M,S,P,quadTemplates,newl,opts.Random) ); select(gensList, f -> f != 0_(ring f)) ) phyloToricClaw = method(Options=>{QRing=>null,Random=>false}) phyloToricClaw(ZZ,List,Model) := opts -> (n,E,M) -> phyloToricClaw(leafTree(n,E),M,opts) phyloToricClaw(LeafTree,Model) := opts -> (T,M) -> ( S := if opts.QRing =!= null then opts.QRing else qRing(T,M); l := first leaves T; newl := symbol newl; clawHash := new MutableHashTable; --store claw invariants to avoid recomputing intVerts := (internalEdges T)|{set{l}}; if opts.Random then intVerts = randomElement intVerts; gensList := flatten for e in intVerts list ( P := vertexCut(T,e,l,newl); if not clawHash#?(#P,M) then clawHash#(#P,M) = clawInvariants(#P,M); fillTemplates(T,M,S,P,clawHash#(#P,M),newl,opts.Random) ); select(gensList, f -> f != 0_(ring f)) ) phyloToricRandom = method(Options=>{QRing=>null}) phyloToricRandom(ZZ,List,Model) := opts -> (n,E,M) -> phyloToricRandom(leafTree(n,E),M,opts) phyloToricRandom(LeafTree,Model) := opts -> (T,M) -> ( S := if opts.QRing =!= null then opts.QRing else qRing(#(leaves T),M); n := random 3; gensList := if n == 0 then phyloToricLinears(T,M,QRing=>S,Random=>true) else if n == 1 then phyloToricQuads(T,M,QRing=>S,Random=>true) else phyloToricClaw(T,M,QRing=>S,Random=>true); if #gensList > 0 then first gensList else phyloToricRandom(T,M,opts) ) randomElement = L -> ( if #L == 0 then return {}; n := random(#L); {L#n} ) ---------------------- --Auxiliary functions for phyloToricFP ---------------------- --A function that takes an invariant on a small tree and extends it in all possible ways to a big tree. --P is a graph splitting: the list of connected components after deleting the vertex or edge we are focused on. --Temps is list of "templates" meaning invariants on small trees fillTemplates = (T,M,S,P,temps,newl,rand) -> ( G := group M; FCs := edgeColorings(T,M); --consistent colorings qhash := hashTable apply(#FCs, i->FCs#i => S_i); --maps from consistent edge colorings to variables in the ring n := #P; cem := compositeEdgeMap(T,P,newl); PFCs := apply(P, U->partitionedFCs(U,M,set{newl})); --a List of HashTables of colorings of the graph pieces --print PFCs; flatten for binom in temps list ( fbinom0 := flatten binom#0; --flat list of color indices for first monomial of a claw tree invariant fbinom1 := flatten binom#1; --same for second monomial PFCLists := apply(#fbinom0, j->(PFCs#(j%n))#(G#(fbinom0#j))); --for each entry of fbinom0(itself a list), the list of all coloring extensions PFCi := (#(binom#2):0)..(toSequence apply(PFCLists,l->(#l-1))); --sequence of list indices for all combinations of coloring extensions if rand then PFCi = toSequence randomElement PFCi; newGens := for iList in PFCi list ( CList0 := apply(#iList, j->(PFCLists#j)#(iList#j)); --a list of color extensions for first monomial CList1 := apply(binom#2, k->CList0#k); --permutations of the color extensions for second monomial CList1 = apply(#fbinom1, j->( c1 := fbinom1#j; c0 := fbinom0#(binom#2#j); if c1 != c0 then permuteColoring(CList1#j,{c1,c0},M) else CList1#j )); CLists := (CList0,CList1); --print CLists; monom := apply(CLists, CList->product for i from 0 to #(binom#0)-1 list ( comcol := compositeColoring(cem, take(CList,{i*n,i*n+n-1})); qhash#comcol )); --print(monom#0,monom#1); monom#0 - monom#1 ); ultimate(flatten,newGens) ) ) --computes the invariants for a claw tree on k leaves. --converts each binomial to a form used by the fillTemplates function. --the values for k==3 and the four built-in models are hard-coded clawInvariants = (k,M) -> ( if k == 3 and M === CFNmodel then return {}; if k == 3 and M === JCmodel then return { {{{0,1,1},{1,0,1},{1,1,0}},{{0,0,0},{1,2,3},{1,2,3}},{0,4,8,3,1,2,6,7,5}}}; if k == 3 and M === K2Pmodel then return { {{{1,0,1},{2,1,3},{2,2,0}},{{1,1,0},{2,0,2},{2,3,1}},{0,4,8,3,1,5,6,7,2}}, {{{0,1,1},{1,2,3},{2,0,2}},{{0,2,2},{1,0,1},{2,1,3}},{0,4,5,3,7,2,6,1,8}}, {{{0,1,1},{1,2,3},{2,2,0}},{{0,2,2},{1,1,0},{2,3,1}},{0,4,5,3,1,8,6,7,2}}, {{{0,1,1},{1,0,1},{2,2,0},{2,2,0}},{{0,0,0},{1,1,0},{2,3,1},{2,3,1}},{0,4,8,3,1,11,6,7,2,9,10,5}}, {{{0,1,1},{2,0,2},{2,2,0}},{{0,0,0},{2,1,3},{2,3,1}},{0,4,8,3,1,5,6,7,2}}, {{{0,1,1},{1,1,0},{2,0,2},{2,0,2}},{{0,0,0},{1,0,1},{2,1,3},{2,1,3}},{0,7,5,3,10,2,6,1,8,9,4,11}}, {{{0,2,2},{1,0,1},{2,2,0}},{{0,0,0},{1,2,3},{2,3,1}},{0,4,8,3,1,2,6,7,5}}, {{{0,2,2},{1,1,0},{2,0,2}},{{0,0,0},{1,2,3},{2,1,3}},{0,7,5,3,1,2,6,4,8}}, {{{0,2,2},{0,2,2},{1,0,1},{1,1,0}},{{0,0,0},{0,1,1},{1,2,3},{1,2,3}},{0,7,11,3,10,8,6,1,2,9,4,5}}}; if k == 3 and M === K3Pmodel then return { {{{2,2,0},{2,3,1},{3,0,3},{3,1,2}},{{2,0,2},{2,1,3},{3,2,1},{3,3,0}},{0,7,11,3,10,8,6,1,5,9,4,2}}, {{{1,2,3},{2,3,1},{3,1,2}},{{1,3,2},{2,1,3},{3,2,1}},{0,4,8,3,7,2,6,1,5}}, {{{1,3,2},{2,2,0},{3,0,3}},{{1,2,3},{2,0,2},{3,3,0}},{0,4,8,3,7,2,6,1,5}}, {{{1,0,1},{1,3,2},{2,1,3},{2,2,0}},{{1,1,0},{1,2,3},{2,0,2},{2,3,1}},{0,7,11,3,10,8,6,1,5,9,4,2}}, {{{1,0,1},{2,2,0},{3,1,2}},{{1,1,0},{2,0,2},{3,2,1}},{0,7,5,3,1,8,6,4,2}}, {{{1,1,0},{2,3,1},{3,0,3}},{{1,0,1},{2,1,3},{3,3,0}},{0,7,5,3,1,8,6,4,2}}, {{{1,1,0},{1,3,2},{3,0,3},{3,2,1}},{{1,0,1},{1,2,3},{3,1,2},{3,3,0}},{0,7,11,3,10,8,6,1,5,9,4,2}}, {{{0,2,2},{1,3,2},{2,1,3},{3,0,3}},{{0,3,3},{1,2,3},{2,0,2},{3,1,2}},{0,4,8,3,1,11,6,10,2,9,7,5}}, {{{0,2,2},{2,3,1},{3,0,3}},{{0,3,3},{2,0,2},{3,2,1}},{0,4,8,3,7,2,6,1,5}}, {{{0,3,3},{2,2,0},{3,1,2}},{{0,2,2},{2,1,3},{3,3,0}},{0,4,8,3,7,2,6,1,5}}, {{{0,3,3},{1,3,2},{2,2,0},{3,2,1}},{{0,2,2},{1,2,3},{2,3,1},{3,3,0}},{0,7,5,3,10,2,6,1,11,9,4,8}}, {{{0,2,2},{1,0,1},{2,3,1},{3,1,2}},{{0,1,1},{1,3,2},{2,0,2},{3,2,1}},{0,10,5,3,7,2,6,4,11,9,1,8}}, {{{0,1,1},{1,2,3},{2,0,2}},{{0,2,2},{1,0,1},{2,1,3}},{0,4,8,3,7,2,6,1,5}}, {{{0,1,1},{1,3,2},{2,2,0}},{{0,2,2},{1,1,0},{2,3,1}},{0,7,5,3,1,8,6,4,2}}, {{{0,1,1},{1,2,3},{2,2,0},{3,1,2}},{{0,2,2},{1,1,0},{2,1,3},{3,2,1}},{0,4,11,3,1,8,6,10,5,9,7,2}}, {{{0,1,1},{1,3,2},{3,0,3}},{{0,3,3},{1,0,1},{3,1,2}},{0,4,8,3,7,2,6,1,5}}, {{{0,1,1},{1,2,3},{2,3,1},{3,0,3}},{{0,3,3},{1,0,1},{2,1,3},{3,2,1}},{0,7,5,3,10,2,6,1,11,9,4,8}}, {{{0,3,3},{1,1,0},{2,3,1},{3,1,2}},{{0,1,1},{1,3,2},{2,1,3},{3,3,0}},{0,4,8,3,1,11,6,10,2,9,7,5}}, {{{0,3,3},{1,1,0},{3,2,1}},{{0,1,1},{1,2,3},{3,3,0}},{0,4,8,3,7,2,6,1,5}}, {{{0,0,0},{0,3,3},{3,1,2},{3,2,1}},{{0,1,1},{0,2,2},{3,0,3},{3,3,0}},{0,7,11,3,10,8,6,1,5,9,4,2}}, {{{0,0,0},{1,1,0},{2,3,1},{3,2,1}},{{0,1,1},{1,0,1},{2,2,0},{3,3,0}},{0,4,8,3,1,11,6,10,2,9,7,5}}, {{{0,0,0},{2,3,1},{3,1,2}},{{0,1,1},{2,0,2},{3,3,0}},{0,7,5,3,1,8,6,4,2}}, {{{0,1,1},{2,2,0},{3,0,3}},{{0,0,0},{2,1,3},{3,2,1}},{0,7,5,3,1,8,6,4,2}}, {{{0,1,1},{1,1,0},{2,0,2},{3,0,3}},{{0,0,0},{1,0,1},{2,1,3},{3,1,2}},{0,7,5,3,10,2,6,1,11,9,4,8}}, {{{0,1,1},{0,3,3},{2,0,2},{2,2,0}},{{0,0,0},{0,2,2},{2,1,3},{2,3,1}},{0,7,11,3,10,8,6,1,5,9,4,2}}, {{{0,0,0},{1,3,2},{3,2,1}},{{0,2,2},{1,0,1},{3,3,0}},{0,7,5,3,1,8,6,4,2}}, {{{0,2,2},{1,0,1},{2,2,0},{3,0,3}},{{0,0,0},{1,2,3},{2,0,2},{3,2,1}},{0,4,8,3,1,11,6,10,2,9,7,5}}, {{{0,0,0},{1,3,2},{2,2,0},{3,1,2}},{{0,2,2},{1,1,0},{2,0,2},{3,3,0}},{0,7,5,3,10,2,6,1,11,9,4,8}}, {{{0,2,2},{1,1,0},{3,0,3}},{{0,0,0},{1,2,3},{3,1,2}},{0,7,5,3,1,8,6,4,2}}, {{{0,0,0},{1,3,2},{2,3,1},{3,0,3}},{{0,3,3},{1,0,1},{2,0,2},{3,3,0}},{0,4,11,3,1,8,6,10,5,9,7,2}}, {{{0,3,3},{1,0,1},{2,2,0}},{{0,0,0},{1,2,3},{2,3,1}},{0,4,8,3,7,2,6,1,5}}, {{{0,3,3},{1,1,0},{2,0,2}},{{0,0,0},{1,3,2},{2,1,3}},{0,7,5,3,1,8,6,4,2}}, {{{0,3,3},{1,1,0},{2,2,0},{3,0,3}},{{0,0,0},{1,2,3},{2,1,3},{3,3,0}},{0,10,5,3,7,2,6,4,11,9,1,8}}, {{{0,2,2},{0,3,3},{1,0,1},{1,1,0}},{{0,0,0},{0,1,1},{1,2,3},{1,3,2}},{0,7,11,3,10,8,6,1,5,9,4,2}}}; qList := leafColorings(k,M); q := getSymbol "q"; R := qRingFromList(qList,M,q); Igens := flatten entries gens phyloToric42(k,{},M,QRing=>R); Igens = select(Igens, f-> 1 < first degree f); for f in Igens list binomialTemplate(f,k,M) ) --converts a binomial claw tree invariant into "template" form binomialTemplate = (f,k,M) -> ( G := group M; Ghash := hashTable apply(#G,i->(G#i=>i)); qList := leafColorings(k,M); termsList := for t in exponents f list join toSequence apply(#t, i->toList (t#i:toList apply(qList#i,j->Ghash#j))); d := #(termsList#0); h := new MutableList; for i to d*k-1 do ( c := position((0..d-1), j->( n := j*k + i%k; (not h#?n or h#n === null) and aList(M,G#((termsList#1)#j#(i%k))) == aList(M,G#((termsList#0)#(i//k)#(i%k))))); h#(c*k + i%k) = i; ); h = toList h; termsList|{h} ) --e is distinguished in T (edges outputs the list of edges) --eindex just tells you the first time a bool is true --"or" is necessary because each edge has two ways to be named depending on which side of the partition the edge is located --partition breaks up list based on value of function and outputs hash table with --key color values list of edge coloring with that color e partitionedFCs = (T,M,e) -> ( eindex := position(edges T, f->f==e or (leaves T)-f==e); FCs := edgeColorings(T,M); partition(fc->fc#eindex, FCs) ) --produces a map from the set of edges of T to the edges of the decomposition at vertex l. --L is a list of trees in the decomposition compositeEdgeMap = (T,L,l) -> ( EL := apply(L, U->apply(edges U, e->orientEdge'(U,e,l))); for e in edges T list ( (i,j) := (0,0); while i < #EL do ( j = position(EL#i, f -> e==f or (leaves T)-e==f); if j =!= null then break else i = i+1; ); (i,j) ) ) compositeColoring = (cem,L) -> apply(cem, ij->L#(ij#0)#(ij#1)) permuteColoring = (col,P,M) -> ( G := group M; aut := M.Automorphisms#P; apply(col, c->aut#c) ) -------------------------- --LeafTree -------------------------- leafTree = method() leafTree(List,List) := (L,E) -> ( E = select(E, e->#e > 1 and #e < #L-1); leafEdges := if #L > 2 then apply(L, i->{i}) else if #L == 2 then {{L#0}} else {}; E = E|leafEdges; E = apply(E, e->if class e === Set then e else set e); new LeafTree from {L, E} ) leafTree(ZZ,List) := (n,E) -> leafTree(toList(0..n-1),E) leafTree(Graph) := G -> ( if not isTree G then error "graph must be a tree"; L := select(vertexSet G, v->isLeaf(G,v)); E := for e in edges G list ( G' := deleteEdges(G,{toList e}); side := first connectedComponents G'; select(side, v->isLeaf(G,v)) ); leafTree(L,E) ) edges(LeafTree) := T -> T#1 internalEdges = method() internalEdges(LeafTree) := T -> select(T#1, e->#e > 1 and #e < #(T#0)-1) leaves(LeafTree) := T -> set T#0 leavesList = method() leavesList(LeafTree) := T -> T#0 vertices(LeafTree) := T -> vertices graph T internalVertices = method() internalVertices(LeafTree) := T -> ( select(vertices graph T, v->#v > 1) ) graph(LeafTree) := opts -> T -> ( l := first elements leaves T; E := apply(edges T, f->orientEdge(T,f,l)); E = E|{set{}}; P := poset(E,isSubset); G := graph coveringRelations P; newLabels := for v in vertexSet G list ( children := select(elements neighbors(G,v), w -> #w > #v); children = apply(children, w -> (leaves T) - w); if #v > 0 then set({v}|children) else set children ); graph(newLabels, adjacencyMatrix G) ) digraph(LeafTree,List) := opts -> (T,L) -> digraph(T,set L) digraph(LeafTree,Set) := opts -> (T,u) -> ( E := apply(edges T, e->if any(elements u, f->isSubset(e,f)) then (leaves T) - e else e); E = E|{set{}}; P := poset(E,isSubset); G := graph coveringRelations P; dirE := {}; newLabels := for v in vertexSet G list ( children := select(elements neighbors(G,v), w -> #w > #v); dirE = dirE|apply(children, w->{v,w}); children = apply(children, w -> (leaves T) - w); if #v > 0 then set({v}|children) else set children ); D := digraph(vertices G, dirE); digraph(newLabels, adjacencyMatrix D) ) Set == Set := (s,t) -> s === t LeafTree == LeafTree := (S,T) -> ( if leaves S != leaves T then return false; l := first leavesList S; ES := set apply(edges S, e->orientEdge(S,e,l)); ET := set apply(edges T, e->orientEdge(T,e,l)); ES == ET ) AHU := (G,v) -> ( chil := children(G,v); chilAHU := flatten sort apply(elements chil, w->AHU(G,w)); {1}|chilAHU|{0} ) isIsomorphicRooted = method() isIsomorphicRooted(LeafTree,List,LeafTree,List) := (T1,v1,T2,v2) -> ( isIsomorphicRooted(T1,set v1,T2,set v2) ) isIsomorphicRooted(LeafTree,Set,LeafTree,Set) := (T1,v1,T2,v2) -> ( G1 := digraph(T1,v1); G2 := digraph(T2,v2); AHU(G1,v1) == AHU(G2,v2) ) --isIsomorphic = method() isIsomorphic(LeafTree,LeafTree) := o -> (T1,T2) -> ( if #(leaves T1) != #(leaves T2) or #(edges T1) != #(edges T2) then return false; C1 := center graph T1; C2 := center graph T2; if #C1 != #C2 then return false; for v1 in C1 do for v2 in C2 do ( if isIsomorphicRooted(T1,v1,T2,v2) then return true; ); false ) --splits tree T at edge e into a list of two trees edgeCut = method() edgeCut(LeafTree,List,Thing) := (T,e,newl) -> edgeCut(T,set e,newl) edgeCut(LeafTree,Set,Thing) := (T,e,newl) -> ( Lpart := {e, leaves(T) - e}; apply(Lpart, P->leafTree((toList P)|{newl}, edgeSelect(T,P))) ) edgeSelect = (T,e) -> ( for f in internalEdges T list ( if f==e then continue else if isSubset(f,e) then f else if isSubset((leaves T) - f,e) then (leaves T) - f else continue ) ) --gives the side of the partition representing edge e that contains leaf l orientEdge = (T,e,l) -> if member(l,e) then e else (leaves T) - e --gives the side of the partition representing edge e that does not contain leaf l orientEdge' = (T,e,l) -> if member(l,e) then (leaves T) - e else e --splits tree T at vertex v into a list of trees --v is specified as the vertex incident to edge e away from leaf l vertexCut = method() vertexCut(LeafTree,List,Thing,Thing) := (T,e,l,newl) -> vertexCut(T,set e,l,newl) vertexCut(LeafTree,Set,Thing,Thing) := (T,e,l,newl) -> ( e = orientEdge(T,e,l); E := apply(edges T, f->orientEdge(T,f,l)); E = E|{set{}}; P := poset(E,isSubset); G := graph coveringRelations P; Lpart := select(elements neighbors(G,e), w -> #w > #e); Lpart = apply(Lpart, w -> (leaves T) - w)|{e}; apply(Lpart, P->leafTree((toList P)|{newl}, edgeSelect(T,P))) ) edgeContract = method() edgeContract(LeafTree,List) := (T,e) -> edgeContract(T,set e) edgeContract(LeafTree,Set) := (T,e) -> ( L := leaves T; E := select(edges T, f->(f != e and L - f != e)); if #e == #L-1 then L = e; if #e == 1 then L = L - e; leafTree(toList L, E) ) labeledTrees = method() labeledTrees(ZZ) := n -> ( f := L -> ( P := setPartitions L; select(P, p -> #p > 1) ); L := toList (1..n-1); apply(buildBranches(L,f), T -> leafTree(n,T)) ) labeledBinaryTrees = method() labeledBinaryTrees(ZZ) := n -> ( f := L -> for s in subsets drop(L,1) list ( if #s == 0 then continue; {s, toList (set L - set s)} ); L := toList (1..n-1); apply(buildBranches(L,f), T -> leafTree(n,T)) ) rootedTrees = method() rootedTrees(ZZ) := n -> ( f := L -> for p in partitions(#L) list ( if #p == 1 then continue; k := 0; for s in p list ( k = k+s; take(L,{k-s,k-1}) ) ); L := toList (1..n-1); apply(buildBranches(L,f), T -> leafTree(n,T)) ) rootedBinaryTrees = method() rootedBinaryTrees(ZZ) := n -> ( f := L -> for i from 1 to (#L)//2 list {take(L,i), take(L,i-#L)}; L := toList (1..n-1); apply(buildBranches(L,f), T -> leafTree(n,T)) ) unlabeledTrees = method() unlabeledTrees(ZZ) := n -> ( rooted := rootedTrees n; trees := new MutableList; for T in rooted do ( if not any(trees, S->isIsomorphic(S,T)) then trees#(#trees) = T ); toList trees ) --lists all partitions of a set or list of distinct elements setPartitions = method() setPartitions(Set) := S -> setPartitions(toList S) setPartitions(List) := L -> ( Lhash := new HashTable from apply(#L, i->(L#i => i)); pList := toList (#L : 0); sps := {{L}}; i := #L-1; while i > 0 do ( if any(i, j -> pList#j >= pList#i) then ( pList = take(pList, i)|{pList#i + 1}|toList(#L-i-1:0); part := values partition(l->pList#(Lhash#l), L); sps = append(sps, part); i = #L-1; ) else i = i-1; ); sps ) --recursive function for building rooted trees. --takes a leaf set L and function f that lists how leaves can be --partitioned at a node, and lists all possible edge sets. buildBranches = (L,f) -> ( Trees := for p in f(L) list ( p = select(p, s -> #s > 1); newTrees := {p}; for E in p do ( branches := buildBranches(E,f); newTrees = flatten apply(newTrees, T->apply(branches, B->T|B)); ); newTrees ); flatten Trees ) -------------------------- --Secants and Joins -------------------------- --list the monomials in ring R corresponding to the columns of matrix A imageMonomials = method() imageMonomials(Ring,Matrix) := (R,A) -> ( M := for i from 0 to (numcols A) - 1 list ( vect := flatten entries A_i; product apply(#vect, j->R_j^(vect#j)) ); matrix {M} ) --computes the nth secant of ideal I using elimination --if degree d is specified, then the generators up to degree d will be computed (this is much faster) secant = method(Options=>{DegreeLimit => {}}) secant(Ideal,ZZ) := opts -> (I,n) -> joinIdeal(toList (n:I), opts) joinIdeal = method(Options=>{DegreeLimit => {}}) joinIdeal(Ideal,Ideal) := opts -> (I,J) -> joinIdeal({I,J},opts) joinIdeal(List) := opts -> L -> ( R := ring first L; k := numgens R; n := #L; T := R; for i from 0 to n-1 do T = T**R; T = newRing(T, MonomialOrder=>Eliminate(n*k)); Jlinears := apply(k,j->T_(n*k+j) - sum(n,i->T_(i*k+j))); Js := apply(n, i->sub(L#i,(vars T)_(toList(i*k..(i+1)*k-1)))); J := sum(Js) + ideal Jlinears; d := opts.DegreeLimit; GB := gb(J, DegreeLimit=>join((n+1):d)); J = selectInSubring(1,gens GB); ideal sub(J,matrix{toList (n*k:0_R)}|(vars R)) ) --Randomized algorithm for affine dimension of kth secant of variety defined by matrix A toricSecantDim = method() toricSecantDim(Matrix,ZZ) := (A,k) -> ( kk := ZZ/32003; n := numrows A; A = homogenizeMatrix A; randPoints := apply(k,i->random(kk^1,kk^(n+1))); x := symbol x; R := kk[x_0..x_n]; J := jacobian imageMonomials(R,A); tSpace := matrix apply(randPoints, p->{sub(J,p)}); rank tSpace ) toricJoinDim = method() toricJoinDim(Matrix,Matrix) := (A,B) -> toricJoinDim({A,B}) toricJoinDim(List) := L -> ( kk := ZZ/32003; k := #L; n := L/numrows; L = L/homogenizeMatrix; randPoints := apply(#L, i->random(kk^1,kk^(n#i+1))); x := symbol x; R := apply(#L, i->kk[x_0..x_(n#i)]); J := apply(#L, i->jacobian imageMonomials(R#i,L#i)); tSpace := matrix apply(#L, i->{sub(J#i,randPoints#i)}); rank tSpace ) homogenizeMatrix = A -> ( n := numrows A; N := numcols A; colSums := matrix{toList(n:1)}*A; d := max flatten entries colSums; A||(matrix{toList(N:d)}-colSums) ) ------------------------------------------ -- Documentation ------------------------------------------ beginDocumentation() ------------------------------- -- PhylogeneticTrees ------------------------------- doc/// Key PhylogeneticTrees Headline a package to compute phylogenetic invariants associated to group-based models Description Text {\em PhylogeneticTrees} is a package for phylogenetic algebraic geometry. This package calculates generating sets for phylogenetic ideals and their joins and secants. Additionally, the package computes lower bounds for the dimensions of secants and joins of phylogenetic ideals. This package handles a class of commonly used tree-based Markov models called group-based models. These models are subject to the Fourier-Hadamard coordinate transformation, which make the parametrizations monomial and the ideals toric. See the following for more details: [1] and [2]. For these models, the PhylogeneticTrees package includes two methods for computing a generating set for ideals of phylogenetic invariants. The first method calls @TO FourTiTwo@ to compute the generating set of the toric ideal. The second implements a theoretical construction for inductively determining the ideal of phylogenetic invariants for any $k$-valent tree from the $k$-leaf claw tree as described in Theorem 24 of [3]. This package also handles the joins and secants of these ideals by implementing the elimination method described in [4]. In cases where computing a generating set for a join or secant ideal is infeasible, the package provides a probabilistic method, based on Terracini’s Lemma, to compute a lower bound on the dimension of a join or secant ideal. {\em References:} [1] S.N. Evans and T.P. Speed, it Invariants of some probability models used in phylogenetic inference, {\em Ann. Statist.} 21 (1993), no. 1, 355–377, and [2] L. Székely, P.L. Erdös, M.A. Steel, and D. Penny, A Fourier inversion formula for evolutionary trees, {\em Applied Mathematics Letters} 6 (1993), no. 2, 13–17. [3] Bernd Sturmfels and Seth Sullivant, Toric ideals of phylogenetic invariants, {\em J. Comp. Biol.} 12 (2005), no. 2, 204–228. [4] Bernd Sturmfels and Seth Sullivant, Combinatorial secant varieties, {\em Quarterly Journal of Pure and Applied Mathematics} 2 (2006), 285–309. /// ------------------------------- -- Phylogenetic invariants ------------------------------- --phyloToricFP doc/// Key phyloToricFP (phyloToricFP,ZZ,List,Model) (phyloToricFP,LeafTree,Model) Headline compute the invariants of a group-based phylogenetic model with toric fiber products Usage phyloToricFP(T,M) phyloToricFP(n,E,M) Inputs T:LeafTree n:ZZ the number of leaves E:LeafTree the internal edges of the tree, given by one part of the bipartition on leaves M:Model Outputs :Ideal Description Text This function computes the invariants of a group-based phylogenetic tree model based on Theorem 24 of the paper Toric Ideals of Phylogenetic Invariants by Sturmfels and Sullivant. Invariants are formed in three different ways. The linear and quadratic invariants are computed as in @TO phyloToricLinears@ and @TO phyloToricQuads@ respectively. Finally higher degree invariants are built using a toric fiber product construction from the invariants of claw trees. Example T = leafTree(4, {{0,1}}) phyloToricFP(T, CFNmodel) SeeAlso phyloToric42 /// ------------------------------- --phyloToric42 doc/// Key phyloToric42 (phyloToric42,ZZ,List,Model) (phyloToric42,Graph,Model) (phyloToric42,LeafTree,Model) Headline compute the invariants of a group-based phylogenetic model with 4ti2 Usage phyloToric42(n,E,M) phyloToric42(G,M) phyloToric42(T,M) Inputs T:LeafTree n:ZZ the number of leaves E:LeafTree the internal edges of the tree, given by one part of the bipartition on leaves G:Graph a tree M:Model Outputs :Ideal Description Text This function computes the invariants of a group-based phylogenetic tree model by computing the transpose of the matrix that encodes the defining monomial map and then using the function toricMarkov of the @TO FourTiTwo@ package. Example T = leafTree(4, {{0,1}}) phyloToric42(T, CFNmodel) SeeAlso phyloToricFP /// ------------------------------- -- phyloToricLinears doc/// Key phyloToricLinears (phyloToricLinears,LeafTree,Model) (phyloToricLinears,ZZ,List,Model) [phyloToricLinears,Random] Headline compute the linear invariants of a group-based phylogenetic model Usage phyloToricLinears(T,M) phyloToricLinears(n,E,M) Inputs T:LeafTree n:ZZ the number of leaves E:List the internal edges of the tree, given by one part of the bipartition on leaves M:Model Outputs :List a generating set of the linear invariants Description Text For models such as Jukes-Cantor (@TO "JCmodel"@) and Kimura 2-parameter (@TO "K2Pmodel"@), multiple variables in the Fourier coordinates may map to the same monomial under the monomial map that defines the toric variety of the model. These equivalencies give rise to linear relations in the space of Fourier coordinates. The number of linear invariants is the codimension of the smallest linear subspace in which the toric variety of the model is contained. The optional argument @TO QRing@ can be passed the ring of Fourier coordinates. Otherwise the function will create a new ring. Example T = leafTree(3,{}) S = qRing(T, K2Pmodel) phyloToricLinears(T, K2Pmodel, QRing=>S) SeeAlso phyloToricFP phyloToric42 phyloToricQuads /// ------------------------------- -- phyloToricQuads doc/// Key phyloToricQuads (phyloToricQuads,LeafTree,Model) (phyloToricQuads,ZZ,List,Model) [phyloToricQuads,Random] Headline compute the quadratic invariants of a group-based phylogenetic model Usage phyloToricQuads(T,M) phyloToricQuads(n,E,M) Inputs T:LeafTree n:ZZ the number of leaves E:List the internal edges of the tree, given by one part of the bipartition on leaves M:Model Outputs :List a generating set of the quadratic invariants Description Text The quadratic invariants are also referred to as the edge invariants of the model. Each Fourier coordinate corresponds to a consistent coloring of the edges of tree {\tt T}. For any given internal edge {\tt e} of {\tt T}, the consistent colorings can be obtained by coloring two smaller graphs and gluing them along {\tt e}. This corresponds to a fiber product on the corresponding toric varieties. The quadratic invariants naturally arise from this process by gluing a pair of colorings of one small graph to a pair of colorings of the other small graph in two different ways. The optional argument @TO QRing@ can be passed the ring of Fourier coordinates. Otherwise the function will create a new ring. Example T = leafTree(4,{{0,1}}) S = qRing(T, CFNmodel) phyloToricQuads(T, CFNmodel, QRing=>S) SeeAlso phyloToricFP phyloToric42 phyloToricLinears /// ------------------------------- --phyloToricRandom doc/// Key phyloToricRandom (phyloToricRandom,ZZ,List,Model) (phyloToricRandom,LeafTree,Model) Headline compute a random invariant of a group-based phylogenetic model Usage phyloToricRandom(T,M) phyloToricRandom(n,E,M) Inputs T:LeafTree n:ZZ the number of leaves E:LeafTree the internal edges of the tree, given by one part of the bipartition on leaves M:Model Outputs :RingElement a randomly selected binomial invariant Description Text This function computes a random invariant of a group-based phylogenetic tree model using the toric fiber product structure. With equal probability the algorithm decides to return a linear, quadratic, or higher degree binomial. It then selects one of these at random (but uniformity is not guaranteed). This is a much more efficient way to produce a single generator than listing all of them, which is useful for Monte Carlo random walk algorithms. Example phyloToricRandom(4,{{0,1}},CFNmodel) Caveat We currently do not guarantee a uniform distribution on the generators, even after the choice of linear, quadratic or higher degree. SeeAlso phyloToricFP /// ------------------------------- -- phyloToricAMatrix doc/// Key phyloToricAMatrix (phyloToricAMatrix,LeafTree,Model) (phyloToricAMatrix,Graph,Model) (phyloToricAMatrix,ZZ,List,Model) Headline construct the design matrix of a group-based phylogenetic model Usage phyloToricAMatrix(T,M) phyloToricAmatrix(G,M) phyloToricAMatrix(n,E,M) Inputs T:LeafTree G:Graph a tree n:ZZ the number of leaves E:List the internal edges of the tree, given by the half the partition on leaves M:Model Outputs :Matrix whose columns parametrize the toric variety Description Example phyloToricAMatrix(4, {{1, 2}},CFNmodel) SeeAlso /// ------------------------------- -- qRing doc/// Key qRing (qRing,ZZ,Model) (qRing,LeafTree,Model) [qRing,Variable] Headline construct the ring of Fourier coordinates Usage qRing(T,M) qRing(n,M) Inputs T:LeafTree n:ZZ the number of leaves M:Model Outputs :Ring of Fourier coordinates Description Text The Fourier coordinates for a phylogenetic tree model have one coordinate for each consistent coloring of the tree {\tt T}. A consistent coloring is an assignment of one of the group elements of the model {\tt M} to each of the leaves of {\tt T} such that the sum of all the group elements assigned is $0$. Each variable of the ring is indexed by a sequence representing a consistent coloring with each element of the group represented by an integer between $0$ and $m-1$ where $m$ is the order of the group. A variable name for the ring can be passed using the optional argument {\tt Variable}. Otherwise the symbol {\tt q} is used. Example qRing(4,CFNmodel) qRing(3,JCmodel) SeeAlso pRing leafColorings /// ------------------------------- -- leafColorings doc/// Key leafColorings (leafColorings,ZZ,Model) (leafColorings,LeafTree,Model) Headline list the consistent colorings of a tree Usage leafColorings(T,M) leafColorings(n,M) Inputs T:LeafTree n:ZZ the number of leaves M:Model Outputs :List the consistent colorings of the tree Description Text This function outputs a list of all consistent colorings of the leaves of tree {\tt T}. That is all sequences $(g_1,\ldots,g_n)$ such that $g_1+\cdots +g_n = 0$ where each $g_i$ is an element of the group associated to the model {\tt M}, and {\tt n} is the number of leaves of the tree. These correspond the set of subscripts of the variables in the ring output by @TO qRing@, and appear in the same order. Example leafColorings(4,CFNmodel) leafColorings(3,JCmodel) SeeAlso qRing /// ------------------------------- -- pRing doc/// Key pRing (pRing,ZZ,Model) (pRing,LeafTree,Model) [pRing,Variable] Headline construct the ring of probability coordinates Usage pRing(T,M) pRing(n,M) Inputs T:LeafTree n:ZZ the number of leaves M:Model Outputs :Ring of probability coordinates Description Text The probability coordinates for a phylogenetic tree model have one coordinate for each possible outcome of the model. A possible outcome is any labeling of the leaves of the tree by elements of the group $G$ of the model. Thus the number of coordinates is $|G|^n$ where $n$ is the number of leaves. A variable name for the ring can be passed using the optional argument {\tt Variable}. Otherwise the symbol {\tt p} is used. Example pRing(4,CFNmodel) pRing(3,JCmodel) SeeAlso qRing /// ------------------------------- -- QRing doc/// Key QRing [phyloToric42,QRing] [phyloToricFP,QRing] [phyloToricLinears,QRing] [phyloToricQuads,QRing] [phyloToricRandom,QRing] Headline optional argument to specify Fourier coordinate ring Description Text For any of the functions that produce phylogenetic invariants in the ring of Fourier coordinates, the ring can be specified with this optional argument. If {\tt null} is passed then a new ring of Fourier coordinates will be created. The ring passed can be any polynomial ring with sufficiently many variables. The sufficient number is $k = |G|^{n-1}$ where $G$ is the group of labels used by the model, and $n$ is the number of leaves of the phylogenetic tree. The ring may have more than $k$ variables, in which case only the first $k$ will be used. Example T = leafTree(4,{{0,1}}) phyloToricFP(T,CFNmodel) S = QQ[a..h] phyloToricFP(T,CFNmodel,QRing=>S) /// ------------------------------- -- fourierToProbability doc/// Key fourierToProbability (fourierToProbability,Ring,Ring,ZZ,Model) Headline map from Fourier coordinates to probability coordinates Usage fourierToProbability(S,R,n,M) Inputs S:Ring of probability coordinates R:Ring of Fourier coordinates n:ZZ the number of leaves M:Model Outputs :RingMap from Fourier coordinates to probability coordinates Description Text This function creates a ring map from the ring of Fourier coordinates to the ring of probability coordinates, for the four predefined models, @TO "CFNmodel"@, @TO "JCmodel"@, @TO "K2Pmodel"@ or @TO "K3Pmodel"@. It will not work with user-defined models. The ring of probability coordinates must have at least $|G|^n$ variables where $G$ is the group associated to the model. The ring of Fourier coordinates must have at least $|G|^{(n-1)}$ variables. Example M = CFNmodel; S = pRing(3,M) R = qRing(3,M) m = fourierToProbability(S,R,3,M) SeeAlso pRing qRing /// ------------------------------ --Models ------------------------------ --CFNmodel doc/// Key "CFNmodel" Headline the model corresponding to the Cavender-Farris-Neyman model or binary Jukes Cantor Description Text The Cavender-Farris-Neyman (CFN) Model is a Markov model of base substitution. It also known as the binary Jukes-Cantor model. It assumes the root distribution vectors describe all bases occurring uniformly in the ancestral sequence. It also assumes that the rate of all specific base changes is the same. The transition matrix has the form $$\begin{pmatrix} \alpha&\beta\\ \beta&\alpha \end{pmatrix}$$ SeeAlso Model "JCmodel" "K2Pmodel" "K3Pmodel" /// -------------------------- --JCmodel doc/// Key "JCmodel" Headline the model corresponding to the Jukes Cantor model Description Text The Jukes-Cantor (JK) Model is a Markov model of base substitution. It assumes the root distribution vectors describe all bases occurring uniformly in the ancestral sequence. It also assumes that the rate of all specific base changes is the same. Thus the rates of bases changes A-G, A-T and A-C are the same. The transition matrix has the form $$\begin{pmatrix} \alpha&\beta&\beta&\beta\\ \beta&\alpha&\beta&\beta\\ \beta&\beta&\alpha&\beta\\ \beta&\beta&\beta&\alpha \end{pmatrix}$$ SeeAlso Model "CFNmodel" "K2Pmodel" "K3Pmodel" /// --------------------------- --K2Pmodel doc/// Key "K2Pmodel" Headline the model corresponding to the Kimura 2-parameter model Description Text The Kimura 2-parameter (K2P) Model is a Markov model of base substitution. It assumes the root distribution vectors describe all bases occurring uniformly in the ancestral sequence. It allows different probabilities of transitions and transversions. This means that the rate of base changes A-C and A-T are the same (transversions), and the rate of base change A-G can differ from the other two (transitions). The transition matrix has the form $$\begin{pmatrix} \alpha&\gamma&\beta&\beta\\ \gamma&\alpha&\beta&\beta\\ \beta&\beta&\alpha&\gamma\\ \beta&\beta&\gamma&\alpha \end{pmatrix}$$ SeeAlso Model "CFNmodel" "JCmodel" "K3Pmodel" /// ------------------------------- --K3Pmodel doc/// Key "K3Pmodel" Headline the model corresponding to the Kimura 3-parameter model Description Text The Kimura 3-parameter (K3P) Model is a Markov model of base substitution. It assumes the root distribution vectors describe all bases occurring uniformly in the ancestral sequence. It allows different probabilities of the base changes A-G, A-C and A-T. This is the most general group based model on group $(\mathbb{Z}/2\mathbb{Z})^2$. The transition matrix has the form $$\begin{pmatrix} \alpha&\gamma&\beta&\delta\\ \gamma&\alpha&\delta&\beta\\ \beta&\delta&\alpha&\gamma\\ \delta&\beta&\gamma&\alpha \end{pmatrix}$$ SeeAlso Model "CFNmodel" "JCmodel" "K2Pmodel" /// ------------------------------- -- Secants and Joins ------------------------------- -- secant doc/// Key secant (secant,Ideal,ZZ) [secant,DegreeLimit] Headline compute the secant of an ideal Usage secant(I,n) Inputs I:Ideal k:ZZ order of the secant Outputs :Ideal the {\tt k}th secant of {\tt I} Description Text This function computes the {\tt k}th secant of {\tt I} by constructing the abstract secant and then projecting with elimination. Here the {\tt k}th secant means the join of {\tt k} copies of {\tt I}. Setting {\tt k} to 1 gives the dimension of the ideal, while 2 is the usual secant, and higher values correspond to higher order secants. Setting the optional argument @TO DegreeLimit@ to {\tt \{d\} } will produce only the generators of the secant ideal up to degree {\tt d}. This method is general and will work for arbitrary polynomial ideals, not just phylogenetic ideals. Example R = QQ[a..d] I = ideal {a^2-b,a^3-c,a^4-d} secant(I,2) SeeAlso joinIdeal /// ------------------------------- -- joinIdeal doc/// Key joinIdeal (joinIdeal,Ideal,Ideal) (joinIdeal,List) [joinIdeal,DegreeLimit] Headline compute the join of several ideals Usage joinIdeal(I,J) joinIdeal L Inputs I:Ideal J:Ideal L:List of ideals in the same ring Outputs :Ideal the join of the input ideals Description Text This function computes the ideal of the join by constructing the abstract join and then projecting with elimination. Setting the optional argument @TO DegreeLimit@ to {\tt \{d\} } will produce only the generators of the join ideal up to degree {\tt d}. This method is general and will work for arbitrary polynomial ideals, not just phylogenetic ideals. Example R = QQ[a,b,c,d] I = ideal {a-d,b^2-c*d} J = ideal {a,b,c} joinIdeal(I,J) SeeAlso secant /// ------------------------------- -- toricSecantDim doc/// Key toricSecantDim (toricSecantDim,Matrix,ZZ) Headline dimension of a secant of a toric variety Usage toricSecantDim(A,k) Inputs A:Matrix the A-matrix of a toric variety k:ZZ order of the secant Outputs :ZZ the dimension of the {\tt k}th secant of variety defined by matrix {\tt A} Description Text A randomized algorithm for computing the affine dimension of a secant of a toric variety using Terracini's Lemma. Here the {\tt k}th secant means the join of {\tt k} copies of {\tt I}. Setting {\tt k} to 1 gives the dimension of the ideal, while 2 is the usual secant, and higher values correspond to higher order secants. The matrix {\tt A} defines a parameterization of the variety. The algorithm chooses {\tt k} vectors of parameter values at random from a large finite field. The dimension of the sum of the tangent spaces at those points is computed. This algorithm is much much faster than computing the secant variety. Example A = matrix{{4,3,2,1,0},{0,1,2,3,4}} toricSecantDim(A,1) toricSecantDim(A,2) toricSecantDim(A,3) toricSecantDim(A,4) SeeAlso toricJoinDim secant /// ------------------------------- -- toricJoinDim doc/// Key toricJoinDim (toricJoinDim,Matrix,Matrix) (toricJoinDim,List) Headline dimension of a join of toric varieties Usage toricJoinDim(A,B) toricJoinDim L Inputs A:Matrix the A-matrix of a toric variety B:Matrix the A-matrix of a toric variety L:List of A-matrices of toric varieties Outputs :ZZ the dimension of the join of the toric varieties defined by the matrices Description Text A randomized algorithm for computing the affine dimension of a join of toric varieties using Terracini's Lemma. Each input matrix defines a parameterization of the variety. For each variety, a vector of parameter values is chosen at random from a large finite field. The dimension of the sum of the tangent spaces at those points is computed. This algorithm is much much faster than computing the join variety. Example A = matrix{{4,3,2,1,0},{0,1,2,3,4}} B = matrix{{1,1,1,1,1}} toricJoinDim(A,B) toricJoinDim(B,B) Caveat All input matrices must have the same number of columns. SeeAlso toricSecantDim joinIdeal /// ------------------------------- -- Model functionality ------------------------------- -- Model doc/// Key Model Headline a group-based model Description Text A phylogenetic tree model on tree $T$ has outcomes that are described by assigning each leaf of the tree any label from a particular set (typically the label set is the set of DNA bases, \{A,T,C,G\}). The probability of a certain assignment of labels depends on transition probabilities between each ordered pair of labels. These transition probabilities are the parameters of the model. In a group based model, the label set is a group $G$ (typically $\mathbb{Z}/2$ or $(\mathbb{Z}/2)^2$), and the transition probability for a pair $(g,h)$ depends only on $h-g$. This reduces the number of parameters from $|G|^2$ to $|G|$. Depending on the model, further identifications of parameters are imposed. An object of class @TO Model@ stores the information about a group-based model required to compute phylogenetic invariants. This information includes the elements of the group, how those elements are partitioned, and a set of automorphisms of the group that preserve the partitions. There are four built-in models: Cavender-Farris-Neyman or binary model (@TO "CFNmodel"@); Jukes-Cantor model (@TO "JCmodel"@); Kimura 2-parameter model (@TO "K2Pmodel"@); and Kimura 3-parameter model (@TO "K3Pmodel"@). Other models can be constructed with @TO model@. Example M = CFNmodel T = leafTree(3,{}) phyloToricAMatrix(T,M) SeeAlso model /// ------------------------------- -- model doc/// Key model (model,List,List,List) Headline construct a Model Usage model(G,B,aut) Inputs G:List the group elements B:List of lists of which group elements have identified parameters aut:List of pairs, assigning pairs of identified group elements to automorphisms of the group that switch the pair Outputs :Model Description Text The elements of {\tt G} must have an addition operation meaning that if two elements $g, h \in {\tt G$}, then $g+h$ must work. The usual choices for {\tt G} are the list of elements of $\mathbb{Z}/2$ or $(\mathbb{Z}/2)^2$. Example (a,b) = (0_(ZZ/2),1_(ZZ/2)) G = {{a,a}, {a,b}, {b,a}, {b,b}} Text The elements of {\tt B} are lists of the elements of {\tt G} with the same parameter value. In the following example, the first two elements of {\tt G} receive distinct parameters, while the last two share a parameter. This is precisely the Kimura 2-parameter model. Example B = {{G#0}, {G#1}, {G#2,G#3}} Text Finally, for every ordered pair of group elements sharing a parameter, {\tt aut} must provide an automorphism of the group that switches those two group elements. In {\tt aut} all of the group elements are identified by their index in $G$, and an automorphism is given by a list of permuted index values. In our example, the pairs requiring an automorphism are {\tt \{2,3\}} and {\tt \{3,2\}}. Example aut = {({2,3}, {0,1,3,2}), ({3,2}, {0,1,3,2})} model(G,B,aut) SeeAlso Model /// ------------------------------- -- group doc/// Key group (group,Model) Headline the group of a Model Usage group M Inputs M:Model Outputs :List of group elements Description Text Every group-based phylogenetic model has a finite group associated to it. This function returns the group, represented as a list of elements. Example M = K3Pmodel G = group M SeeAlso Model /// ------------------------------- -- buckets doc/// Key buckets (buckets,Model) Headline the equivalence classes of group elements of a Model Usage buckets M Inputs M:Model Outputs :List of lists of group elements Description Text Every group-based phylogenetic model has a finite group {\tt G} associated to it. Parameters for the model are assigned to equivalence classes of group elements, which are orbits of some subgroup of the automorphism group of {\tt G}. This function returns the equivalence classes as a list of list of group elements. Example M = K2Pmodel B = buckets M SeeAlso Model /// ------------------------------- -- LeafTree functionality ------------------------------- -- leafTree doc/// Key leafTree (leafTree,ZZ,List) (leafTree,List,List) (leafTree,Graph) Headline construct a LeafTree Usage leafTree(n,E) leafTree(L,E) leafTree(G) Inputs n:ZZ the number of leaves L:List of leaves E:List of lists or sets specifying the internal edges G:Graph a tree Outputs :LeafTree Description Text An object of class @TO LeafTree@ is specified by listing its leaves, and for each internal edge, the partition the edge induces on the set of leaves. {\tt L} is the set of leaves, or if an integer {\tt n} is input then the leaves will be named $0,\ldots,n-1$. {\tt E} is a list with one entry for each internal edge. Each entry is a partition specified as a list or set of the leaves in one side of the partition. Thus each edge can be specified in two possible ways. An object of class @TO LeafTree@ can also be constructed from a @TO Graph@ provided the graph has no cycles. Here we construct the quartet tree, which is the tree with 4 leaves and one internal edge. Example T = leafTree({a,b,c,d},{{a,b}}) leaves T edges T Text Here is a tree with 5 leaves given as a @TO Graph@. Example G = graph{{a,b},{c,b},{b,d},{d,e},{d,f},{f,g},{f,h}} T = leafTree G leaves T internalEdges T /// ------------------------------- -- LeafTree doc/// Key LeafTree (symbol ==,LeafTree,LeafTree) Headline a tree described in terms of its leaves Description Text A tree can be described in terms of its leaves by specifying a leaf set and specifying the edges as partitions of the leaf set. This leaf centric description is particularly useful for phylogenetic trees. The main constructor method is @TO leafTree@. Example T = leafTree({a,b,c,d},{{a,b}}) leaves T edges T G = graph{{a,e},{b,e},{e,f},{c,f},{d,f}} leafTree G SeeAlso leafTree /// ------------------------------- -- edges doc/// Key (edges,LeafTree) Headline list the edges of a tree Usage edges T Inputs T:LeafTree Outputs :List the edges of {\tt T} Description Text This function lists all edges of a tree. Each entry of the list is a @TO Set@ of the leaves on one side of the edge. Example T = leafTree(5,{{0,1}}); leaves T edges T SeeAlso internalEdges /// ------------------------------- -- internalEdges doc/// Key internalEdges (internalEdges,LeafTree) Headline list the internal edges of a tree Usage internalEdges T Inputs T:LeafTree Outputs :List the internal edges of {\tt T} Description Text An internal edge of a tree is an edge that is not incident to a leaf. This function lists such edges. Each entry of the list is @ofClass Set@ of the leaves on one side of the edge. Example G = graph {{0,4},{1,4},{4,5},{5,2},{5,3}}; T = leafTree G; internalEdges T SeeAlso (edges,LeafTree) /// ------------------------------- -- vertices doc/// Key (vertices,LeafTree) Headline list the vertices of a tree Usage vertices T Inputs T:LeafTree Outputs :List the vertices of {\tt T} Description Text This function lists all vertices of a tree. Each vertex is specified by the partition of the set of leaves formed by removing the vertex. Each partition is given as a list of sets. Example T = leafTree(4,{{0,1}}); vertices T #(vertices T) Caveat The leaves of {\tt T} in the output of {\tt vertices} have a different representation from the one in the output of @TO (leaves,LeafTree)@. SeeAlso internalVertices (leaves,LeafTree) /// ------------------------------- -- internalVertices doc/// Key internalVertices (internalVertices,LeafTree) Headline list the internal vertices of a tree Usage internalVertices T Inputs T:LeafTree Outputs :List the internal vertices of {\tt T} Description Text An internal vertex of a tree is a vertex that is not a leaf, meaning it has degree at least 2. This function lists such vertices. Each vertex is specified by the partition of the set of leaves formed by removing the vertex. Each partition is given as a list of sets. Example T = leafTree(4,{{0,1}}); internalVertices T #(internalVertices T) SeeAlso (vertices,LeafTree) /// ------------------------------- -- leaves doc/// Key (leaves,LeafTree) Headline list the leaves of a tree Usage leaves T Inputs T:LeafTree Outputs :Set the leaves of {\tt T} Description Text This function outputs the leaves of the tree as an object of class @TO Set@. Example T = leafTree(4,{{0,1}}); vertices T #(vertices T) Caveat The leaves have a different representation from the one in the output of @TO (vertices,LeafTree)@. SeeAlso (vertices,LeafTree) /// ------------------------------- -- isIsomorphic doc/// Key (isIsomorphic,LeafTree,LeafTree) Headline check isomorphism of two tree Usage isIsomorphic(T,U) Inputs T:LeafTree U:LeafTree Outputs :Boolean if U and T are isomorphic Description Text This function checks if two objects of class @TO LeafTree@ are isomorphic to each other as unlabeled graphs. This is in contrast to equality of two objects of class @TO LeafTree@, which also checks whether they have the same leaf labeling. Example T = leafTree(4,{{0,1}}); U = leafTree(4,{{1,2}}); isIsomorphic(T,U) /// ------------------------------- -- edgeCut doc/// Key edgeCut (edgeCut,LeafTree,List,Thing) (edgeCut,LeafTree,Set,Thing) Headline break up a tree at an edge Usage edgeCut(T,e,newl) edgeCut(T,E,newl) Inputs T:LeafTree e:Set an edge specified by the set of leaves on one side of it E:List an edge specified by a list of the leaves on one side of it newl:Thing the label for a new leaf Outputs :List of two @TO LeafTree@s that are subtrees of {\tt T} Description Text This function outputs the two subtrees of {\tt T} obtained by deleting edge {\tt e} from {\tt T} and then re-adding the edge to each of the two resulting subtrees. Both subtrees share a copy of the edge {\tt e} and the newly labeled leaf adjacent to {\tt e}. Other than this overlap, they are disjoint. Each subtree in {\tt P} may have at most one leaf that was not a leaf of {\tt T}, and therefore previously unlabeled. The label for this new leaf is input as {\tt newl}. Example T = leafTree(4,{{0,1}}) P = edgeCut(T, set {0,1}, 4); P#0 P#1 SeeAlso vertexCut /// ------------------------------- -- vertexCut doc/// Key vertexCut (vertexCut,LeafTree,List,Thing,Thing) (vertexCut,LeafTree,Set,Thing,Thing) Headline break up a tree at a vertex Usage vertexCut(T,e,l,newl) vertexCut(T,E,l,newl) Inputs T:LeafTree e:Set an edge specified by the set of leaves on one side of it E:List an edge specified by a list of the leaves on one side of it l:Thing a leaf of the tree newl:Thing the label for a new leaf Outputs :List of @TO LeafTree@s that are subtrees of {\tt T} Description Text Vertices of a tree of class @TO LeafTree@ do not have explicit names. Therefore a vertex {\tt v} is specified by naming an edge {\tt e} incident to {\tt v}, and leaf {\tt l} on the opposite side of the edge as {\tt v}. The function outputs the subtrees of {\tt T} obtained by deleting the vertex {\tt v} from {\tt T} and then re-adding {\tt v} to each of the resulting subtrees as a new leaf. The new leaf on each subtree is adjacent to the edge previously adjacent to {\tt v} on {\tt T}. Each subtree has a copy of the vertex labeled {\tt newl}, but their edge sets form a partition of the edge set of {\tt T}. Each subtree in {\tt P} has one leaf that was not a leaf of {\tt T}, and therefore previously unlabeled. The label for this new leaf is input as {\tt newl}. Example T = leafTree(4,{{0,1}}) P = vertexCut(T, set {0,1}, 0, 4); P#0 P#1 P#2 SeeAlso edgeCut /// ------------------------------- -- edgeContract doc/// Key edgeContract (edgeContract,LeafTree,List) (edgeContract,LeafTree,Set) Headline contract an edge of a tree Usage edgeContract(T,e) edgeContract(T,E) Inputs T:LeafTree e:Set an edge specified by the set of leaves on one side of it E:List an edge specified by a list of the leaves on one side of it Outputs :LeafTree obtained from {\tt T} by contracting the specified edge Description Text This function produces a new object of class @TO LeafTree@ obtained by contracting the edge {\tt e} of tree {\tt T}. Example T = leafTree(4,{{0,1}}) edgeContract(T, set {0,1}) /// ------------------------------- -- labeledTrees doc/// Key labeledTrees (labeledTrees,ZZ) Headline enumerate all labeled trees Usage labeledTrees n Inputs n:ZZ the number of leaves Outputs :List of all trees with {\tt n} leaves Description Text This function enumerates all possible homeomorphically-reduced trees (no degree-2 vertices) with {\tt n} leaves labeled by $0,\ldots, n-1$, including all possible labelings. The trees are represented as objects of class @TO LeafTree@. Example L = labeledTrees 4 SeeAlso labeledBinaryTrees rootedTrees rootedBinaryTrees unlabeledTrees /// ------------------------------- -- labeledBinaryTrees doc/// Key labeledBinaryTrees (labeledBinaryTrees,ZZ) Headline enumerate all binary labeled trees Usage labeledTrees n Inputs n:ZZ the number of leaves Outputs :List of all binary trees with {\tt n} leaves Description Text This function enumerates all possible binary trees with {\tt n} leaves labeled by $0,\ldots, n-1$, including all possible labelings. The trees are represented as an object of class @TO LeafTree@. Example L = labeledBinaryTrees 4 SeeAlso labeledTrees rootedTrees rootedBinaryTrees unlabeledTrees /// ------------------------------- -- rootedTrees doc/// Key rootedTrees (rootedTrees,ZZ) Headline enumerate all rooted trees Usage rootedTrees n Inputs n:ZZ the number of leaves Outputs :List of all rooted trees with $n$ leaves Description Text This function enumerates all possible homeomorphically-reduced trees (no degree-2 vertices) with a distinguished root and {\tt n-1} unlabeled leaves. Each tree is an object of class @TO LeafTree@. For the purposes of representation, the root is named {\tt 0} and the unlabeled leaves are named $1,\ldots,n-1$. In other words each class of unlabeled rooted tree is represented once by a particular labeling of that tree. Example L = rootedTrees 4 SeeAlso labeledTrees labeledBinaryTrees rootedBinaryTrees unlabeledTrees /// ------------------------------- -- rootedBinaryTrees doc/// Key rootedBinaryTrees (rootedBinaryTrees,ZZ) Headline enumerate all rooted binary trees Usage rootedBinaryTrees n Inputs n:ZZ the number of leaves Outputs :List of all rooted binary @TO LeafTree@s with {\tt n} leaves Description Text This function enumerates all possible binary trees with a distinguished root and {\tt n-1} unlabeled leaves. Each tree is an object of class @TO LeafTree@. For the purposes of representation, the root is named $0$ and the unlabeled leaves are named $1,\ldots,n-1$. In other words each class of unlabeled rooted tree is represented once by a particular labeling of that tree. Example L = rootedBinaryTrees 5 SeeAlso labeledTrees labeledBinaryTrees rootedTrees unlabeledTrees /// ------------------------------- -- unlabeledTrees doc/// Key unlabeledTrees (unlabeledTrees,ZZ) Headline enumerate all unlabeled trees Usage unlabeledTrees n Inputs n:ZZ the number of leaves Outputs :List of all binary unlabeled trees with {\tt n} leaves Description Text This function enumerates all possible binary trees with {\tt n} unlabeled leaves. Each tree is an object of class @TO LeafTree@. Each class of unlabeled tree is represented by a particular labeling of that tree. Some duplicates may appear in the list, but each equivalence class is guaranteed to appear at least once. Example L = unlabeledTrees 5 Caveat For {\tt n} larger than 5, some equivalence classes of trees may appear more than once. SeeAlso labeledTrees labeledBinaryTrees rootedTrees rootedBinaryTrees /// ------------------------------- -- graph doc/// Key (graph,LeafTree) Headline convert a LeafTree to Graph Usage graph T Inputs T:LeafTree Outputs :Graph Description Text This converts a @TO LeafTree@ representation of a tree into a @TO Graph@. The internal vertices of a LeafTree are not named, so each vertex is specified by the partition of the set of leaves formed by removing the vertex. Each partition is given as a @TO List@ of @TO Set@s. Example T = leafTree(4,{{0,1}}) G = graph T adjacencyMatrix G /// ------------------------------- -- digraph doc/// Key (digraph,LeafTree,List) (digraph,LeafTree,Set) Headline convert a LeafTree to a Digraph Usage digraph(T,r) Inputs T:LeafTree r:List representing a vertex Outputs :Digraph Description Text A rooted tree can be represented by an object of class @TO LeafTree@ and a choice of vertex to be the root. This function converts such a representation of a rooted tree into an object of class @TO Digraph@ with edges oriented away from the root. The internal vertices of an object of class @TO LeafTree@ are not named, so each vertex is specified by the partition of the set of leaves formed by removing the vertex. Each partition is given as a list of sets. This is also how the root vertex should be passed to the function. Example T = leafTree(4,{{0,1}}) r = {set{0,1}, set{2}, set{3}} D = digraph(T,r) adjacencyMatrix D /// ----------------------------------------------------------- ----- TESTS ----- ----------------------------------------------------------- --Here is a test for the leafTree function. The tests depend on the --internalEdges and leaves methods, to be tested elsewhere. --We test a six leaf tree by using the internalEdges and leaves methods. --The internal edges and leaves fully determine a tree. --First we test the (L,E) input, then we check that --using the second (ZZ,E) and (Graph) input gives the same result. TEST /// S = leafTree(6, {{0,1}, {0,1,2},{0,1, 2, 3}}) D = set internalEdges(S) L = leaves(S) d = set {set {0, 1, 2, 3}, set {0, 1, 2}, set {0,1 }} l = set {0, 1, 2, 3, 4, 5} assert( D == d) assert( L == l) --This test is very simple and potential problems would mostly come from dependencies on graph package --if this test is not acceptable, go back to leafTree and internalEdges and think of --how they depend on Graphs package (unrefereed, no low level functionality tests) /// --The following is a test for leafColorings. We check that leafColorings gives --the correct SETS. We check that leafColorings(4,CFNmodel) gives the correct --output set. We also check that leafColorings gives the same output --for the JCmodel, the K2Pmodel, and the K3Pmodel on the tree with 4 leaves, --as this method should only depend on the group, and not the actual model. TEST /// A =set leafColorings(4, CFNmodel) B =set leafColorings(4, JCmodel) C =set leafColorings(4, K2Pmodel) D =set leafColorings(4, K3Pmodel) L =set {(0_(ZZ/2), 0_(ZZ/2), 0_(ZZ/2), 0_(ZZ/2)), (0_(ZZ/2), 0_(ZZ/2), 1_(ZZ/2), 1_(ZZ/2)), (0_(ZZ/2), 1_(ZZ/2), 0_(ZZ/2), 1_(ZZ/2)), (0_(ZZ/2), 1_(ZZ/2), 1_(ZZ/2), 0_(ZZ/2)), (1_(ZZ/2), 0_(ZZ/2), 0_(ZZ/2), 1_(ZZ/2)), (1_(ZZ/2), 0_(ZZ/2), 1_(ZZ/2), 0_(ZZ/2)), (1_(ZZ/2), 1_(ZZ/2), 0_(ZZ/2), 0_(ZZ/2)), (1_(ZZ/2), 1_(ZZ/2), 1_(ZZ/2), 1_(ZZ/2))} assert(A == L) assert(B == C) assert(C == D) /// --Here we give a small test that qRing produces a polynomial ring --in the correct number of variables and that the elements are as expected TEST /// S = leafTree(4, {{0,1}}) R = qRing(S, JCmodel) assert(dim R == 64) assert((vars R)_(0,0) == q_(0,0,0,0)) P = qRing(4, JCmodel) assert(dim P == 64) assert((vars P)_(0,0) == q_(0,0,0,0)) /// --The following gives tests for phyloToricFP. --We test the 4-claw, which in --Sturmfels/Sullivant is the 3-claw. We manually construct the ideal of invariants --as the kernel of the ring homomorphism determined by the parameterization. --Similarly, one can check that this is the same as the ideal in Sturmfels/Sullivant --example 3. To do so, you must include the fourth index on their parameters --to be the sum of the first three. TEST /// T = QQ[q_(0,0,0,0),q_(0,0,1,1), q_(0,1,0,1), q_(0,1,1,0), q_(1,0,0,1), q_(1,0,1,0), q_(1,1,0,0), q_(1,1,1,1)] J = phyloToricFP(4, {}, CFNmodel,QRing=>T) R = QQ[a_0, a_1, b_0, b_1, c_0, c_1, d_0, d_1] f = map(R, T, {a_0*b_0*c_0*d_0, a_0*b_0*c_1*d_1, a_0*b_1*c_0*d_1, a_0*b_1*c_1*d_0, a_1*b_0*c_0*d_1, a_1*b_0*c_1*d_0, a_1*b_1*c_0*d_0, a_1*b_1*c_1*d_1}) I = kernel f assert(I == J) /// --The following gives tests for phyloToricLinears and phyloToric42. --We also include another test for phyloToricFP. --We construct the toric ideal in the quartet tree with single --non-trivial split using the Jukes-Cantor model. We construct the ideal as the --kernel of the homomorphism defined by the standard parameterization. We check that --this ideal matches the ideal defined by phyloToricFP, I == J. We extract the --linear generators for the kernel I, and check that these generate the same --ideal as the generators given as output for phyloToricLinears, M == Q. --We also check the number of linear generators defined by N and those defined --by phyloToricLinears, P. Although these sets are not minimal, we check that --each list is 51. This coincides with the fact that there are 13 distinct --Fourier coordinates for this tree with the JCmodel, and there are 64 total --parameters. TEST /// T = QQ[q_(0,0,0,0), q_(0,0,1,1),q_(0,0,2,2),q_(0,0,3,3), q_(0,1,0,1),q_(0,1,1,0),q_(0,1,2,3), q_(0,1,3,2),q_(0,2,0,2),q_(0,2,1,3), q_(0,2,2,0),q_(0,2,3,1),q_(0,3,0,3), q_(0,3,1,2),q_(0,3,2,1),q_(0,3,3,0), q_(1,0,0,1),q_(1,0,1,0),q_(1,0,2,3), q_(1,0,3,2),q_(1,1,0,0),q_(1,1,1,1), q_(1,1,2,2),q_(1,1,3,3),q_(1,2,0,3), q_(1,2,1,2),q_(1,2,2,1),q_(1,2,3,0), q_(1,3,0,2),q_(1,3,1,3),q_(1,3,2,0), q_(1,3,3,1),q_(2,0,0,2),q_(2,0,1,3), q_(2,0,2,0),q_(2,0,3,1),q_(2,1,0,3), q_(2,1,1,2),q_(2,1,2,1),q_(2,1,3,0), q_(2,2,0,0),q_(2,2,1,1),q_(2,2,2,2), q_(2,2,3,3),q_(2,3,0,1),q_(2,3,1,0), q_(2,3,2,3),q_(2,3,3,2),q_(3,0,0,3), q_(3,0,1,2),q_(3,0,2,1),q_(3,0,3,0), q_(3,1,0,2),q_(3,1,1,3),q_(3,1,2,0), q_(3,1,3,1),q_(3,2,0,1),q_(3,2,1,0), q_(3,2,2,3),q_(3,2,3,2),q_(3,3,0,0), q_(3,3,1,1),q_(3,3,2,2),q_(3,3,3,3)] R = QQ[a0, a1, b0, b1, c0, c1, d0, d1, e0, e1] f = map(R,T, {a0*b0*c0*d0*e0, a0*b0*c1*d1*e0, a0*b0*c1*d1*e0, a0*b0*c1*d1*e0, a0*b1*c0*d1*e1, a0*b1*c1*d0*e1, a0*b1*c1*d1*e1, a0*b1*c1*d1*e1, a0*b1*c0*d1*e1, a0*b1*c1*d1*e1, a0*b1*c1*d0*e1, a0*b1*c1*d1*e1, a0*b1*c0*d1*e1, a0*b1*c1*d1*e1, a0*b1*c1*d1*e1, a0*b1*c1*d0*e1, a1*b0*c0*d1*e1, a1*b0*c1*d0*e1, a1*b0*c1*d1*e1, a1*b0*c1*d1*e1, a1*b1*c0*d0*e0, a1*b1*c1*d1*e0, a1*b1*c1*d1*e0, a1*b1*c1*d1*e0, a1*b1*c0*d1*e1, a1*b1*c1*d1*e1, a1*b1*c1*d1*e1, a1*b1*c1*d0*e1, a1*b1*c0*d1*e1, a1*b1*c1*d1*e1, a1*b1*c1*d0*e1, a1*b1*c1*d1*e1, a1*b0*c0*d1*e1, a1*b0*c1*d1*e1, a1*b0*c1*d0*e1, a1*b0*c1*d1*e1, a1*b1*c0*d1*e1, a1*b1*c1*d1*e1, a1*b1*c1*d1*e1, a1*b1*c1*d0*e1, a1*b1*c0*d0*e0, a1*b1*c1*d1*e0, a1*b1*c1*d1*e0, a1*b1*c1*d1*e0, a1*b1*c0*d1*e1, a1*b1*c1*d0*e1, a1*b1*c1*d1*e1, a1*b1*c1*d1*e1, a1*b0*c0*d1*e1, a1*b0*c1*d1*e1, a1*b0*c1*d1*e1, a1*b0*c1*d0*e1, a1*b1*c0*d1*e1, a1*b1*c1*d1*e1, a1*b1*c1*d0*e1, a1*b1*c1*d1*e1, a1*b1*c0*d1*e1, a1*b1*c1*d0*e1, a1*b1*c1*d1*e1, a1*b1*c1*d1*e1, a1*b1*c0*d0*e0, a1*b1*c1*d1*e0, a1*b1*c1*d1*e0, a1*b1*c1*d1*e0}) I = ker(f) --Here's the test for phyloToric42 S = leafTree(4, {{0,1}}) L = phyloToric42(S, JCmodel, QRing=>T) assert(I ==L) --Here's the test for phyloToricFP J = phyloToricFP(4, {{0,1}}, JCmodel, QRing=>T) assert(I == J) --Here's the test for phyloToricLinears K={1} N = for i to 83 when degree(I_i) == K list I_i M = ideal N #N P = phyloToricLinears(4, {{0,1}}, JCmodel, QRing=>T) Q = ideal P #P assert(#N === 51) assert(#P === 51) assert(M == Q) /// --Here's a test for phyloToricAMatrix. We only test the set of columns, since --this only tests the parameterization up to permutation of coordinates. TEST /// A = phyloToricAMatrix(4, {}, CFNmodel) B = matrix{{1,0,1,0,1,0,1,0}, {1,0,1,0,0,1,0,1}, {1,0,0,1,1,0,0,1}, {1,0,0,1,0,1,1,0}, {0,1,1,0,1,0,0,1}, {0,1,1,0,0,1,1,0}, {0,1,0,1,1,0,1,0}, {0,1,0,1,0,1,0,1}} C = transpose B D = set { submatrix(C, {0}), submatrix(C,{1}), submatrix(C, {2}), submatrix(C, {3}), submatrix(C, {4}), submatrix(C, {5}), submatrix(C, {6}), submatrix(A, {7}) } E = set { submatrix(A, {0}), submatrix(A,{1}), submatrix(A, {2}), submatrix(A, {3}), submatrix(A, {4}), submatrix(A, {5}), submatrix(A, {6}), submatrix(A, {7})} assert(D == E) /// --Here is a test for internalVertices. We test a binary tree and also --a claw tree. We convert all lists to sets to allow for different ordering. TEST /// S = leafTree(6, {{0,1}, {0,1,2},{0,1, 2, 3}}) T = leafTree(6, {{}}) internalEdges(S) internalEdges(T) IVS= internalVertices(S) IVSs = set IVS A = set {set {set {0, 1, 2, 3}, set {4}, set {5}}, set {set {0, 1, 2}, set {3}, set {4, 5}}, set {set {0, 1}, set {2}, set {3, 4, 5}}, set {set {0}, set {1}, set {2, 3, 4, 5}}} assert( IVSs == A) IVT = internalVertices(T) IVTs = set IVT B = set{set{ set{0}, set {1}, set {2}, set {3}, set {4}, set {5}}} assert( IVTs == B) /// --Here is a test for internalEdges. We test a quartet and a 4-claw. TEST /// S = leafTree(4, {{0,1}}) A = set internalEdges(S) B = set{set{0,1}, set{2,3}} assert( #(A * B) == 1) T = leafTree(4, {}) C = set internalEdges(T) assert( C == set{}) /// --Note for the vertexCut test: This test was written before user declared label --of new leaf. Now that this label is declared, a much simpler and perhaps more --rigourous test can be written. We will leave the old test for now. TEST /// --Here is a test for vertexCut. S = leafTree(6, {{0,1}, {0,1,2},{0,1, 2, 3}}) VC=vertexCut(S,{0,1,2}, 0, 6) --First we test that this vertex-cut gives us three connected components, of --2,3, and 4 leaves each. We check that each tree has the appropriately labeled --leaves. We have an additional test in which the added vertex is labeled the same on --each connected component. M = set{0,1,2, 3, 4, 5} N= set{0,1,2} NC = set {3, 4, 5} L1= for x in VC list leaves(x) N4 = for x in L1 list(if #x <4 then continue; x) O4 = for x in N4 list #x P4 =set flatten for x in N4 list elements x assert(# set N4 == 1) assert(O4 == {4}) assert(P4 * NC == set {}) N3 = for x in L1 list(if #x <3 or #x > 3 then continue; x) P3 =set flatten for x in N3 list elements x assert(# set N3 == 1) assert(P3 * N == set{}) N2 = for x in L1 list(if #x <2 or #x > 2 then continue; x) P2 =set flatten for x in N2 list elements x assert(# set N2 == 1) assert(P2 * N == set{}) N1 = for x in L1 list(if #x > 1 then continue; x) P1 =set flatten for x in N1 list elements x assert(P1 == set{}) L = (P4 * N ) + (P3 * NC) + (P2 * NC) assert( L == M) assert((P4 - N) == (P3 - NC)) assert((P3 - NC) == (P2 - NC)) --Second, we test that the unique 4 leaf component is a quartet tree (and not --a claw). A=flatten for x in VC list edges(x) C =set for x in A list(if #x == 1 then continue; x) assert(C =!= set{}) /// --Here's a test for edgeCut. --First we test that this edge-cut gives us two connected components, of --4 leaves each. We check that each tree has the appropriately labeled --leaves. --Second, we test that the 4 leaf components are the correct quartets. TEST/// S = leafTree(6, {{0,1}, {0,1,2},{0,1, 2, 3}}) EC = edgeCut(S, {0,1,2}, 6) N= set{0,1,2,6} NC = set {3, 4, 5,6} L1= for x in EC list leaves(x) T1 = L1#0 T2 = L1#1 assert( T1 == N or T1 == NC) assert( T2 == N or T2 == NC) A=flatten for x in EC list edges(x) C =set for x in A list(if #x == 1 then continue; x) c1 = set{0,1} d1 = set{2,6} c2 = set{4,5} d2 = set{3,6} assert(C#?c1 or C#?d1) assert(C#?c2 or C#?d2) /// --Here is a simple test for edgeContract. TEST /// S = leafTree(4, {{0,1}}) T = edgeContract(S, set{0,1}) A = leaves(T) B = set internalEdges(T) assert(A == set {0,1,2,3}) assert(B == set {}) /// TEST /// -- We test the function joinIdeal by computing the join of the ideal of -- the Veronese map with n=1 and d=7 and the ideal of the Segre -- embedding of P1 x P3. The ideal is computed directly from the -- parameterization and using the function joinIdeal. R = QQ[x1,x2,x3,x4,x5,x6,x7,x8] S = QQ[a0,a1,a2,a3,b0,b1,b2,s,t] f1 = map(S,R,{a0*b0, a1*b0, a2*b0, a3*b0, a0*b1, a1*b1, a2*b1, a3*b1}); f2 = map(S,R,{s^7*t^0, s^6*t^1 ,s^5*t^2, s^4*t^3,s^3*t^4,s^2*t^5,s^1*t^6,s^0*t^7 }); g = map(S,R,{a0*b0 + s^7*t^0, a1*b0 + s^6*t^1, a2*b0 + s^5*t^2, a3*b0 + s^4*t^3, a0*b1 + s^3*t^4, a1*b1 + s^2*t^5, a2*b1 + s^1*t^6, a3*b1 + s^0*t^7}); I = ker(f1); J = ker(f2); assert(joinIdeal(I,J) == ker(g)) /// TEST /// -- We test the function toricSecantDim by computing the -- dimension of a second secant of the CFN model -- which is known to be non-defective. -- We also verify that the dimension of the secant for the -- CFN model for a 4-leaf tree is no larger than the ambient dimension. A = phyloToricAMatrix(6, {{0,1},{2,3},{4,5}},CFNmodel); assert(toricSecantDim(A,1) == dim(phyloToric42(6, {{0,1},{2,3},{4,5}},CFNmodel))) assert(toricSecantDim(A,2) == 20) assert(toricSecantDim(phyloToricAMatrix(4, {{0,1}},CFNmodel),2) == 8) /// TEST /// -- We test the function toricJoinDim using -- joins of 2 and 3 6-leaf trees. -- It is known that for the JCmodel, joins -- of 2 or 3 arbitrary trees with 6 or more leaves are -- non-defective. A = phyloToricAMatrix(6, {{0,1},{2,3},{4,5}},JCmodel); B = phyloToricAMatrix(6, {{0,1},{0,1,2},{4,5}},JCmodel); C = phyloToricAMatrix(6, {{1,2},{3,4},{0,5}},JCmodel); assert(toricSecantDim(A,1) == 10) assert(toricSecantDim(B,1) == 10) assert(toricSecantDim(C,1) == 10) assert(toricJoinDim(A,B) == 20) assert(toricJoinDim({A,B,C}) == 30) /// TEST /// -- The function phyloToricQuads is tested -- by verifying that the ideal generated by -- the polynomials returned -- modulo the linear invariants -- is equal to the degree 2 -- generators of the toric ideal. Tree = {{0,1},{0,1,2}}; n = 5; M = JCmodel; S = qRing(n,M); L = phyloToricLinears(n,Tree,M,QRing=>S); T = S/L; I = ideal phyloToricQuads(n,Tree,M,QRing=>T); J = phyloToric42(n,Tree,M,QRing=>T); K = ideal(for i in flatten entries mingens J list (if (degree i)#0 > 2 then continue; i)); assert(I == K) /// TEST /// -- The function phyloToricRandom is tested by -- verifying that it produces a polynomial in the -- ideal of invariants for the appropriate model. Tree = {{0,1}}; n = 4; M = K2Pmodel; S = qRing(n,M) I = phyloToric42(n,Tree, M, QRing=> S); f = phyloToricRandom(n,Tree,M, QRing=>S); assert(f % I == 0) /// TEST /// Tree = {{0,1}}; n = 4; M = K2Pmodel; S = qRing(n,M) I = phyloToric42(n,Tree, M, QRing=> S); f = phyloToricLinears(n,Tree,M, QRing=>S,Random=>true); g = phyloToricQuads(n,Tree,M, QRing=>S,Random=>true); assert(f_0 % I == 0) assert(g_0 % I == 0) /// TEST /// --The function fourierToProbability is tested by computing --the ideal for the same tree in two different ways. The first is --by computing directly from the parameterization in probability --coordinates and the second is by using phyloToric42 to compute --the ideal in Fourier coordinates and then forming an ideal by --converting each of the generators into probability coordinates. --We assert the two ideals are equal modulo the certain linear invariants --that are suppressed when computing in the ring of Fourier coordinates. S = pRing(4,CFNmodel); L = ideal apply(8,i->(S_i - S_(15-i))) R1 = S/L; R2 = QQ[a0,a1,b0,b1,c0,c1,d0,d1,e0,e1]; f = map(R2,R1, {a0*b0*c0*d0*e0+a0*b1*c1*d0*e1+a1*b0*c1*d1*e0+a1*b1*c0*d1*e1, a0*b0*c1*d0*e1+a0*b1*c0*d0*e0+a1*b0*c0*d1*e1+a1*b1*c1*d1*e0, a0*b0*c0*d0*e1+a0*b1*c1*d0*e0+a1*b0*c1*d1*e1+a1*b1*c0*d1*e0, a0*b0*c1*d0*e0+a0*b1*c0*d0*e1+a1*b0*c0*d1*e0+a1*b1*c1*d1*e1, a0*b0*c0*d1*e0+a0*b1*c1*d1*e1+a1*b0*c1*d0*e0+a1*b1*c0*d0*e1, a0*b0*c1*d1*e1+a0*b1*c0*d1*e0+a1*b0*c0*d0*e1+a1*b1*c1*d0*e0, a0*b0*c0*d1*e1+a0*b1*c1*d1*e0+a1*b0*c1*d0*e1+a1*b1*c0*d0*e0, a0*b0*c1*d1*e0+a0*b1*c0*d1*e1+a1*b0*c0*d0*e0+a1*b1*c1*d0*e1, a0*b0*c1*d1*e0+a0*b1*c0*d1*e1+a1*b0*c0*d0*e0+a1*b1*c1*d0*e1, a0*b0*c0*d1*e1+a0*b1*c1*d1*e0+a1*b0*c1*d0*e1+a1*b1*c0*d0*e0, a0*b0*c1*d1*e1+a0*b1*c0*d1*e0+a1*b0*c0*d0*e1+a1*b1*c1*d0*e0, a0*b0*c0*d1*e0+a0*b1*c1*d1*e1+a1*b0*c1*d0*e0+a1*b1*c0*d0*e1, a0*b0*c1*d0*e0+a0*b1*c0*d0*e1+a1*b0*c0*d1*e0+a1*b1*c1*d1*e1, a0*b0*c0*d0*e1+a0*b1*c1*d0*e0+a1*b0*c1*d1*e1+a1*b1*c0*d1*e0, a0*b0*c1*d0*e1+a0*b1*c0*d0*e0+a1*b0*c0*d1*e1+a1*b1*c1*d1*e0, a0*b0*c0*d0*e0+a0*b1*c1*d0*e1+a1*b0*c1*d1*e0+a1*b1*c0*d1*e1}) I = ker(f) T = leafTree(4,{{0,1}}); M = CFNmodel; J = phyloToric42(T,M); MJ = mingens J; FToP = fourierToProbability(R1,ring J,4,M) J = ideal(FToP MJ_(0,0), FToP MJ_(0,1)) assert(J == I) /// end ------------------------------------------------------------ restart installPackage "PhylogeneticTrees" viewHelp PhylogeneticTrees
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