Pairwise distances between \(74\) points from some metric space have been recorded and stored in a \(74\times 74\) matrix \(D\). The following commands load the matrix, construct a filtration of length \(100\) on the first two dimensions of the assotiated clique complex (also known as the Vietoris-Rips Complex), and display the resulting degree \(0\) persistent homology as a barcode. A single bar with label \(n\) denotes \(n\) bars with common starting point and common end point.
gap> file:=HapFile("data253a.txt");; gap> Read(file); gap> G:=SymmetricMatrixToFilteredGraph(D,100); Filtered graph on 74 vertices. gap> K:=FilteredRegularCWComplex(CliqueComplex(G,2)); Filtered regular CW-complex of dimension 2 gap> P:=PersistentBettiNumbers(K,0);; gap> BarCodeCompactDisplay(P);
The next commands display the resulting degree \(1\) persistent homology as a barcode.
gap> P:=PersistentBettiNumbers(K,1);; gap> BarCodeCompactDisplay(P);
The following command displays the \(1\) skeleton of the simplicial complex arizing as the \(65\)-th term in the filtration on the clique complex.
gap> Y:=FiltrationTerm(K,65); Regular CW-complex of dimension 1 gap> Display(HomotopyGraph(Y));
These computations suuggest that the dataset contains two persistent path components (or clusters), and that each path component is in some sense periodic. The final command displays one possible representation of the data as points on two circles.
Each point in the dataset was an image consisting of \(732\times 761\) pixels. This point was regarded as a vector in \(\mathbb R^{732\times 761}\) and the matrix \(D\) was constructed using the Euclidean metric. The images were the following:
The following example reads in a set \(S\) of vectors of rational numbers. It uses the Euclidean distance \(d(u,v)\) between vectors. It fixes some vector $u_0\in S$ and uses the associated function \(f\colon D\rightarrow [0,b] \subset \mathbb R, v\mapsto d(u_0,v)\). In addition, it uses an open cover of the interval \([0,b]\) consisting of \(100\) uniformly distributed overlapping open subintervals of radius \(r=29\). It also uses a simple clustering algorithm implemented in the function cluster
.
These ingredients are input into the Mapper clustering procedure to produce a simplicial complex \(M\) which is intended to be a representation of the data. The complex \(M\) is \(1\)-dimensional and the final command uses GraphViz software to visualize the graph. The nodes of this simplicial complex are "buckets" containing data points. A data point may reside in several buckets. The number of points in the bucket determines the size of the node. Two nodes are connected by an edge when their end-point nodes contain common data points.
gap> file:=HapFile("data134.txt");; gap> Read(file); gap> dx:=EuclideanApproximatedMetric;; gap> dz:=EuclideanApproximatedMetric;; gap> L:=List(S,x->Maximum(List(S,y->dx(x,y))));; gap> n:=Position(L,Minimum(L));; gap> f:=function(x); return [dx(S[n],x)]; end;; gap> P:=30*[0..100];; P:=List(P, i->[i]);; gap> r:=29;; gap> epsilon:=75;; gap> cluster:=function(S) > local Y, P, C; > if Length(S)=0 then return S; fi; > Y:=VectorsToOneSkeleton(S,epsilon,dx); > P:=PiZero(Y); > C:=Classify([1..Length(S)],P[2]); > return List(C,x->S{x}); > end;; gap> M:=Mapper(S,dx,f,dz,P,r,cluster); Simplicial complex of dimension 1. gap> Display(GraphOfSimplicialComplex(M));
The datacloud \(S\) consists of the \(400\) points in the plane shown in the following picture.
The following example reads in a digital image as a filtered pure cubical complexex. The filtration is obtained by thresholding at a sequence of uniformly spaced values on the greyscale range. The persistent homology of this filtered complex is calculated in degrees \(0\) and \(1\) and displayed as two barcodes.
gap> file:=HapFile("image1.3.2.png");; gap> F:=ReadImageAsFilteredPureCubicalComplex(file,20); Filtered pure cubical complex of dimension 2. gap> P:=PersistentBettiNumbers(F,0);; gap> BarCodeCompactDisplay(P);
gap> P:=PersistentBettiNumbers(F,1);; gap> BarCodeCompactDisplay(P);
The \(20\) persistent bars in the degree \(0\) barcode suggest that the image has \(20\) objects. The degree \(1\) barcode suggests that \(14\) (or possibly \(17\)) of these objects have holes in them.
Assuming that short bars and isolated points in the barcodes represent noise while long bars represent essential features, a "noiseless" representation of the image should correspond to a term in the filtration corresponding to a column in the barcode incident with all long bars but incident with no short bars or isolated points. The following commands confirm that the 4th term in the filtration is such a term and display this term as a binary image.
gap> Y:=FiltrationTerm(F,4); Pure cubical complex of dimension 2. gap> BettiNumber(Y,0); 20 gap> BettiNumber(Y,1); 14 gap> Display(Y);
The following image was used in the example.
In order to automatically count the number of coins in this picture
we can load the image as a filtered pure cubical complex \(F\) of filtration length 30 say, and observe the degree zero persistent Betti numbers to establish that the 21-st term or so of \(F\) seems to be 'noise free' in degree zero. We can then set \(M\) equal to the 21-st term of \(F\) and thicken \(M\) a couple of times say to remove any tiny holes it may have. We can then construct the complement \(C\) of \(M\). Then we can construct a 'neighbourhood thickening' filtration \(T\) of \(C\) with say \(50\) consecutive thickenings. The degree one persistent barcode for \(T\) has \(24\) long bars, suggesting that the original picture consists of \(24\) coins.
gap> F:=ReadImageAsFilteredPureCubicalComplex("my_coins.png",30);; gap> M:=FiltrationTerm(F,21);; #Chosen after viewing degree 0 barcode for F gap> M:=PureComplexThickened(M);; gap> M:=PureComplexThickened(M);; gap> C:=PureComplexComplement(M);; gap> T:=ThickeningFiltration(C,50);; gap> P:=PersistentBettiNumbers(T,1);; gap> BarCodeCompactDisplay(P);
The pure cubical complex \(M\) has the correct number of path components, namely \(25\), but its path components are very much subsets of the regions in the image corresponding to coins. The complex \(M\) can be thickened repeatedly, subject to no two path components being allowed to merge, in order to obtain a more realistic image segmentation with path components corresponding more closely to coins. This is done in the follow commands which use a makeshift function Basins(L)
available here. The commands essentially implement the standard watershed segmentation algorithm but do so by using the language of filtered pure cubical complexes.
gap> W:=PureComplexComplement(FiltrationTerm(T,25));; gap> L:=[];; gap> for i in [1..PathComponentOfPureComplex(W,0)] do gap> P:=PathComponentOfPureComplex(W,i);; gap> Q:=ThickeningFiltration(P,50,M);; gap> Add(L,Q);; gap> od;; gap> B:=Basins(L); gap> Display(B);
From any sequence \(X_0 \subset X_1 \subset X_2 \subset \cdots \subset X_T\) of cellular spaces (such as pure cubical complexes, or cubical complexes, or simplicial complexes, or regular CW complexes) we can construct a filtered chain complex \(C_\ast X_0 \subset C_\ast X_1 \subset C_\ast X_2 \subset \cdots C_\ast X_T\). The induced homology homomorphisms \(H_n(C_\ast X_0,\mathbb F) \rightarrow H_n(C_\ast X_1,\mathbb F) \rightarrow H_n(C_\ast X_2,\mathbb F) \rightarrow \cdots \rightarrow H_n(C_\ast X_T,\mathbb F)\) with coefficients in a field \(\mathbb F\) can be computed by applying an appropriate sequence of elementary row operations to the boundary matrices in the chain complex \(C_\ast X_T\otimes \mathbb F\); the boundary matrices are sparse and are best represented as such; the row operations need to be applied in a fashion that respects the filtration. This method is used in the above examples of persistent homology. The method is not practical when the number of cells in \(X_T\) is large.
An alternative approach is to construct an admissible discrete vector field on each term \(X_k\) in the filtration. For each vector field there is a non-regular CW-complex \(Y_k\) whose cells correspond to the critical cells in \(X_k\) and for which there is a homotopy equivalence \(X_k\simeq Y_k\). For each \(k\) the composite homomorphism \(H_n(C_\ast Y_k, \mathbb F) \stackrel{\cong}{\rightarrow} H_n(C_\ast X_k, \mathbb F) \rightarrow H_n(C_\ast X_{k+1}, \mathbb F) \stackrel{\cong}{\rightarrow} H_n(C_\ast Y_{k+1}, \mathbb F)\) can be computed and the persistent homology can be derived from these homology homomorphisms. This method is implemented in the function PersistentBettiNUmbersAlt(X,n,p)
where \(p\) is the characteristic of the field, \(n\) is the homology degree, and \(X\) can be a filtered pure cubical complex, or a filtered simplicial complex, or a filtered regular CW complex, or indeed a filtered chain complex (represented in sparse form). This function incorporates the functions ContractedFilteredPureCubicalComplex(X)
and ContractedFilteredRegularComplex(X)
which respectively input a filtered pure cubical complex and filtered regular CW-complex and return a filtered complex of the same data type in which each term of the output filtration is a deformation retract of the corresponding term in the input filtration.
In this approach the vector fields on the various spaces \(X_k\) are completely independent and so the method lends itself to a degree of easy parallelism. This is not incorporated into the current implementation.
As an illustration we consider a synthetic data set \(S\) consisting of \(3527\) points sampled, with errors, from an `unknown' manifold \(M\) in \(\mathbb R^3\). From such a data set one can associate a \(3\)-dimensional cubical complex \(X_0\) consisting of one unit cube centred on each (suitably scaled) data point. Given a pure cubical complex \(X_s\) we construct \(X_{s+1} =X_s \cup \{\overline e^3_\lambda\}_{\lambda\in \Lambda}\) by adding to \(X_s\) each closed unit cube \(\overline e^3_\lambda\) in \(\mathbb R^3\) that intersects non-trivially with \(X_s\). We construct the filtered cubical complex \(X_\ast =\{X_i\}_{0\le i\le 19}\) and compute the persistence matrices \(\beta_d^{\ast\ast}\) for \(d=0,1,2\) and for \(\mathbb Z_2\) coefficients. The filtered complex \(X_\ast\) is quite large. In particular, the final space \(X_{19}\) in the filtration involves \(1\,092727\) vertices, \(3\,246354\) edges, \(3\,214836\) faces of dimension \(2\) and \(1\,061208\) faces of dimension \(3\). The usual matrix reduction approach to computing persistent Betti numbers would involve an appropriate row reduction of sparse matrices one of which has over 3 million rows and 3 million columns.
gap> file:=HapFile("data247.txt");; gap> Read(file);; gap> F:=ThickeningFiltration(T,20);; gap> P2:=PersistentBettiNumbersAlt(F,2);; gap> BarCodeCompactDisplay(P2); gap> P1:=PersistentBettiNumbersAlt(F,1);; gap> BarCodeCompactDisplay(P1); gap> P0:=PersistentBettiNumbersAlt(F,0);; gap> BarCodeCompactDisplay(P0);
The barcodes suggest that the data points might have been sampled from a manifold with the homotopy type of a torus.
Of course, a wedge \(S^2\vee S^1\vee S^1\) has the same homology as the torus \(S^1\times S^1\). By establishing that a 'noise free' model for our data points, say the 10-th term \(X_{10}\) in the filtration, has a non-trivial cup product \(\cup\colon H^1(X_{10},\mathbb Z) \times H^1(X_{10},\mathbb Z) \rightarrow H^2(X_{10},\mathbb Z)\) we can eliminate \(S^2\vee S^1\vee S^1\) as a candidate from which the data was sampled.
gap> X10:=RegularCWComplex(FiltrationTerm(F,10));; gap> cup:=LowDimensionalCupProduct(X10);; gap> cup([1,0],[0,1]); [ 1 ]
The Protein Data Bank contains a wealth of data which can be investigated with respect to knottedness. Information on a particular protein can be downloaded as a .pdb file. Each protein consists of one or more chains of amino acids and the file gives 3-dimensional Euclidean coordinates of the atoms in amino acids. Each amino acid has a unique "alpha carbon" atom (labelled as "CA" in the pdb file). A simple 3-dimensional curve, the protein backbone, can be constructed through the sequence of alpha carbon atoms. Typically the ends of the protein backbone lie near the "surface" of the protein and can be joined by a path outside of the protein to obtain a simple closed curve in Euclidean 3-space.
The following command reads in the pdb file for the T.thermophilus 1V2X protein, which consists of a single chain of amino acids, and uses Asymptote software to produce an interactive visualization of its backbone. A path joining the end vertices of the backbone is displayed in blue.
gap> file:=HapFile("data1V2X.pdb");; gap> DisplayPDBfile(file);
The next command reads in the pdb file for the T.thermophilus 1V2X protein and represents it as a \(3\)-dimensional pure cubical complex \(K\). A resolution of \(r=5\) is chosen and this results in a representation as a subcomplex \(K\) of an ambient rectangular box of volume equal to \(184\times 186\times 294\) unit cubes. The complex \(K\) should have the homotopy type of a circle and the protein backbone is a 1-dimenional curve that should lie in \(K\). The final command displays \(K\).
gap> r:=5;; gap> K:=ReadPDBfileAsPureCubicalComplex(file,r);; gap> K:=ContractedComplex(K);; gap> K!.properties; [ [ "dimension", 3 ], [ "arraySize", [ 184, 186, 294 ] ] ] gap> Display(K);
Next we create a filtered pure cubical complex by repeatedly thickening \(K\). We perform \(15\) thickenings, each thickening being a term in the filtration. The \(\beta_1\) barcode for the filtration is displayed. This barcode is a descriptor for the geometry of the protein. For current purposes it suffices to note that the first few terms of the filtration have first homology equal to that of a circle. This indicates that the Euclidean coordinates in the pdb file robustly determine some knot.
gap> F:=ThickeningFiltration(K,15);; gap> F:=FilteredPureCubicalComplexToCubicalComplex(F);; gap> F:=FilteredCubicalComplexToFilteredRegularCWComplex(F);; gap> P:=PersistentBettiNumbersAlt(F,1);; gap> BarCodeCompactDisplay(P);
The next commands compute a presentation for the fundamental group \(\pi_1(\mathbb R^3\setminus K)\) and the Alexander polynomial for the knot. This is the same Alexander polynomial as for the trefoil knot. Also, Tietze transformations can be used to see that the fundamental group is the same as for the trefoil knot.
gap> C:=PureComplexComplement(K);; gap> C:=ContractedComplex(C);; gap> G:=FundamentalGroup(C);; gap> GeneratorsOfGroup(G); [ f1, f2 ] gap> RelatorsOfFpGroup(G); [ f2*f1^-1*f2^-1*f1^-1*f2*f1 ] gap> AlexanderPolynomial(G); x_1^2-x_1+1
For a positive integer \(n\) and probability \(p\) we denote by \(Y(n,p)\) the Linial-Meshulam random simplicial 2-complex. Its \(1\)-skeleton is the complete graph on \(n\) vertices; each possible \(2\)-simplex is included independently with probability \(p\).
The following commands first compute the number \(h_i\) of non-trivial cyclic summands in \(H_i(Y(100,p), \mathbb Z)\) for a range of probabilities \(p\) and \(i=1,2\) and then produce a plot of \(h_i\) versus \(p\). The plot for \(h_1\) is red and the plot for \(h_2\) is blue. A plot for the Euler characteristic \(1-h_1+h_2\) is shown in green.
gap> L:=[];;M:=[];; gap> for p in [1..100] do > K:=RegularCWComplex(RandomSimplicialTwoComplex(100,p/1000));; > h1:=Length(Homology(K,1));; > h2:=Length(Homology(K,2));; > Add(L, [1.0*(p/1000),h1,"red"]); > Add(L, [1.0*(p/1000),h2,"blue"]); > Add(M, [1.0*(p/1000),1-h1+h2,"green"]); > od; gap> ScatterPlot(L); gap> ScatterPlot(M);
From this plot it seems that there is a phase change threshold at around \(p=0.025\). An inspection of the first homology groups \(H_1(Y(100,p), \mathbb Z)\) shows that in most cases there is no torsion. However, around the threshold some of the complexes do have torsion in their first homology.
Similar commands for \(Y(75,p)\) suggest a phase transition at around \(p=0.035\) in this case. The following commands compute \(H_1(Y(75,p), \mathbb Z)\) for \(900\) random \(2\)-complexes with \(p\) in a small interval around \( 0.035\) and, in each case where there is torsion, the torsion coefficients are stored in a list. The final command prints these lists -- all but one of which are of length \(1\). For example, there is one \(2\)-dimensional simplicial complex on \(75\) vertices whose first homology contains the summand \(\mathbb Z_{107879661870516800665161182578823128}\). The largest prime factor is \(80555235907994145009690263\) occuring in the summand \(\mathbb Z_{259837760616287294231081766978855}\).
gap> torsion:=function(n,p) > local H, Y; > Y:=RegularCWComplex(RandomSimplicialTwoComplex(n,p)); > H:=Homology(Y,1); > H:=Filtered(H,x->not x=0); > return H; > end; function( n, p ) ... end gap> L:=[];;for n in [73000..73900] do > t:=torsion(75,n/2000000); > if not t=[] then Add(L,t); fi; > od; gap> Display(L); [ [ 2 ], [ 26 ], [ 259837760616287294231081766978855 ], [ 2 ], [ 3 ], [ 2 ], [ 2761642698060127444812143568 ], [ 2626355281010974663776273381976 ], [ 2 ], [ 3 ], [ 33112382751264894819430785350 ], [ 16 ], [ 4 ], [ 3 ], [ 2 ], [ 3 ], [ 2 ], [ 85234949999183888967763100590977 ], [ 2 ], [ 24644196130785821107897718662022 ], [ 2, 2 ], [ 2 ], [ 416641662889025645492982468 ], [ 41582773001875039168786970816 ], [ 2 ], [ 75889883165411088431747730 ], [ 33523474091636554792305315165 ], [ 107879661870516800665161182578823128 ], [ 5588265814409119568341729980 ], [ 2 ], [ 5001457249224115878015053458 ], [ 10 ], [ 12 ], [ 2 ], [ 2 ], [ 3 ], [ 7757870243425246987971789322 ], [ 8164648856993269673396613497412 ], [ 2 ] ]
Topological data analysis provides one motivation for wanting to compute the homology of a clique complex. Consider for instance the cloud of data points shown in Example 5.2-1. This data is a set \(S\) of 400 points in the plane. Let \(\Gamma\) be the graph with vertex set \(S\) and with two vertices joined by an edge if they lie within a Euclidean distance of 40 of each other. The clique complex \(K=K(\Gamma)\) could be studied to see what it reveals about the data. The following commands construct \(K\) and show that it is a 23-dimensional simplicial complex consisting of a total of 36191976 simplices.
gap> file:=HapFile("data134.txt");; gap> Read(file); gap> A:=VectorsToSymmetricMatrix(S,EuclideanApproximatedMetric);; gap> threshold:=40;; gap> grph:=SymmetricMatrixToGraph(A,threshold);; gap> dimension_cap:=100;; gap> K:=CliqueComplex(grph,dimension_cap); Simplicial complex of dimension 23. gap> Size(K); 36191976
The computation of the homology of this clique complex \(K\) is a challenge because of its size. If we are only interested in \(K\) up to homotopy then we could try to modify the graph \(\Gamma\) in such a way that the homotopy type of the clique complex is unchanged but the size of the clique complex is reduced. This is done in the following commands, producing a smaller \(19\)-dimensional simplicial complex \(K\) with 4180652 simplices.
gap> ContractGraph(grph);; gap> dimension_cap:=100;; gap> K:=CliqueComplex(grph,dimension_cap); Simplicial complex of dimension 19. gap> Size(K); 4180652
To compute the homology of \(K\) in degrees \(0\) to \(5\) say, we could represent \(K\) as a regular CW-complex \(Y\) and then compute the homology of \(Y\) as follows. The homology \(H_n(K)=\mathbb Z\) for \(n=0,1\) and \(H_n(K)= 0\) for \(n=2,3,4,5\) is consistent with the data having been sampled from a space with the homotopy type of a circle.
gap> Y:=RegularCWComplex(K); Regular CW-complex of dimension 19 gap> Homology(Y,0); [ 0 ] gap> Homology(Y,1); [ 0 ] gap> Homology(Y,2); [ ] gap> Homology(Y,3); [ ] gap> Homology(Y,4); [ ] gap> Homology(Y,5) [ ]
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