Abstract 1 Introduction 2 Background 3 Problem statement and main results 4 Estimators Computation 5 Experiments References

Estimating the Persistent Homology of n-Valued Functions Using Function-Geometric Multifiltrations

Ethan André École Normale Supérieure, Paris, France    Jingyi Li ORCID Inria Saclay and École Polytechnique, Palaiseau, France    David Loiseaux ORCID Inria Saclay, Palaiseau, France    Steve Oudot ORCID Inria Saclay and École Polytechnique, Palaiseau, France
Abstract

Given an unknown n-valued function 𝒻 on a metric space X, can we approximate the persistent homology of 𝒻 from a finite sampling of X with known pairwise distances and function values? This question has been answered in the case n=1, assuming 𝒻 is Lipschitz continuous and X is a sufficiently regular geodesic metric space, and using filtered geometric complexes with fixed scale parameter for the approximation. In this paper we answer the question for arbitrary n, under similar assumptions and using function-geometric multifiltrations. Our analysis offers a different view on these multifiltrations by focusing on their approximation properties rather than on their stability properties. We also leverage the multiparameter setting to provide insight into the influence of the scale parameter, whose choice is central to this type of approach. From a practical standpoint, we show that our approximation results are robust to input noise, and that function-geometric multifiltrations have good statistical convergence properties. We also provide an algorithm to compute our estimators, and we use its implementation to conduct extensive experiments, on both synthetic and real biological data, in order to validate our theoretical results.

Keywords and phrases:
Topological data analysis, multi-parameter persistent homology, function-Rips multifiltration
Funding:
David Loiseaux: Inria Action Exploratoire PreMediT (Precision Medicine using Topology).
Copyright and License:
[Uncaptioned image] © Ethan André, Jingyi Li, David Loiseaux, and Steve Oudot; licensed under Creative Commons License CC-BY 4.0
2012 ACM Subject Classification:
Mathematics of computing Algebraic topology
Related Version:
Full Version: https://arxiv.org/abs/2412.04162 [1]
Supplementary Material:
Software: https://doi.org/10.5281/zenodo.19135090
Editors:
Hee-Kap Ahn, Michael Hoffmann, and Amir Nayyeri

1 Introduction

Let X be a metric space and 𝒻:Xn a function, both unknown. Suppose we are given a finite point cloud P sampled from X, such that the pairwise distances between the points of P are known, as well as the function values at the points of P. Given this input, can we approximate the persistent homology H(𝒻) of 𝒻 (i.e., the persistence module induced in homology from the multifiltration of X by the sublevel sets of 𝒻) with provable guarantees? This question was addressed in [10] in the case n=1. The authors proposed an estimator based on a nested pair of Rips complexes δ(P)2δ(P), where δ is a user-defined parameter, which they filtered by the values of 𝒻 at the vertices using lower-star filtrations. The estimator was then the image of the morphism of 1-parameter persistence modules induced in homology by the inclusion δ(P)2δ(P). We denote by H(δ2δ(𝒻|P)) this estimator. Assuming both the domain X and the function 𝒻 are sufficiently regular (typically, X is a compact geodesic metric space with positive convexity radius ϱX, and 𝒻 is c-Lipschitz continuous), and P is an ε-sample of X in the geodesic distance for some small enough value of ε (specifically, ε<ϱX/4), they proved that the estimator is 2cδ-interleaved with H(𝒻) for any choice of parameter δ within the range [2ε,ϱX/2). Thus, in cases where ε is known or can be estimated reliably, one can get an O(2cε)-interleaving with the target H(𝒻), hence an O(2cε)-matching with its barcode, by the algebraic stability theorem [2, 8, 9]. Under a reasonable sampling model, ε goes to zero as the number of sample points goes to infinity, hence so does the approximation error, which means that the proposed estimator is consistent. This approach has since been applied in various contexts, notably in clustering where the algorithm ToMATo [11] is an instance of the method in homology degree 0. However, two fundamental questions were left open in [10, 11]:

  1. Q1

    how to estimate ε, or to choose parameter δ directly, when ε is unknown;

  2. Q2

    how to generalize the approach to arbitrary n, i.e., to vector-valued functions 𝒻.

Q2 is precisely the question we asked at the beginning. Q1 is related to the general problem of scale parameter estimation, which has received a lot of attention in statistics, including in the context of topological data analysis (TDA) – see e.g. [4, 6, 23].

Contributions

In this paper we address both Q1 and Q2 using a unified persistence-based approach.

For Q2 we study the extension of the estimator H(δ2δ(𝒻|P)) from [10] to vector-valued functions 𝒻:Xn, where the codomain n is equipped with the product order, and we generalize its approximation guarantee to this setting. For the sake of generality we assume 𝒻 to be ω-continuous for some modulus of continuity ω, that is: 𝒻(x)𝒻(y)ω(dX(x,y)) for any x,yX, where ω:00 is a non-decreasing subadditive function such that ω(δ) goes to 0 as δ does. This includes Lipschitz or Hölder continuous functions as special cases. Under this assumption, our first main result (Theorem 3) states that the estimator H(δ2δ(𝒻|P)) is ω(2δ)-interleaved with its target H(𝒻) for any choice of δ within the range [2ε,ϱX/2), under the same regularity condition on X and ε-sampling condition on P as before. Our proof takes inspiration from the one in [10] but uses a new, purely diagrammatic formulation that clarifies it and makes it hold for any n1.

For Q1 we propose two complementary approaches. The first one infers a relevant choice of δ under an appropriate statistical model. This model assumes the points P are sampled i.i.d. according to some unkown probability distribution μ that is supposed to be (a,b)-standard. When parameters a,b are known, we show that there is an explicit optimal choice δk for parameter δ, as a function of the sample size k, that makes the sequence of approximations (H(δk2δk(𝒻|P)))k a quasi-minimax estimator of H(𝒻). When a,b are unknown, as would generally be the case in practice, we show that δk can be effectively estimated by some δ^k under our statistical model, so that the sequence (H(δ^k2δ^k(𝒻|P)))k is again a quasi-minimax estimator of H(𝒻). These statements are summarized in Theorem 5.

Our second approach to addressing Q1 is meant for cases where our statistical model does not hold and ε cannot be estimated reliably. We follow the general philosophy underpinning persistent homology by letting δ vary over 0 and treating it as an extra parameter for persistence. This means that our estimator now becomes the (n+1)-parameter persistence module H(2(𝒻|P)) indexed over 0×n, where the notation indicates that the Rips parameter is also a filtration parameter. In order to enable comparisons, the target H(𝒻) must also be extended to 0×n, which we do by taking its left Kan extension LanιH(𝒻) along the poset embedding ι:n{0}×n0×n. The extension LanιH(𝒻) merely contains copies of H(𝒻) in each vertical hyperplane {δ}×n, connected by horizontal identities, as illustrated in Figure 1. Our third main result (Theorem 6) states that the n-dimensional interleavings happening between H(𝒻) and H(δ2δ(𝒻|P)) inside each vertical hyperplane {δ}×n for δ[2ε,ϱX/2) commute with the horizontal morphisms in H(2(𝒻|P)) and in LanιH(𝒻), so that, within any vertical slab [2ε,δ0]×n with δ0<ϱX/2, they all together form a vertical ω(2δ0)-interleaving (i.e., an ω(2δ0)-interleaving along the direction (0,1,,1) in 0×n) between H(2(𝒻|P)) and LanιH(𝒻).

Since vertical interleavings are stronger than ordinary interleavings (Remark 1), Theorem 6 not only provides approximation guarantees for any interleaving-stable invariant of LanιH(𝒻) by the corresponding invariant of H(2(𝒻|P)), but it also offers refined statements for invariants that behave in a particular way under vertical interleavings, such as for instance multigraded Betti numbers as proven in the full version [1] and illustrated in Figure 2.

Figure 1: Left: an illustration of the left Kan extension LanιH(𝒻):0×n𝐯𝐞𝐜, with identity maps horizontally and the structural morphisms of H(𝒻) vertically. Right: (case n=1) the left Kan extension of the interval module 𝕜[1,2] is the interval module 𝕜0×[1,2] (in red).
Figure 2: Left: the vertical height function on a sampled unit circle X in the plane. Distances on the circle are given by arclength. Center: H1(𝒻) has a single interval summand (in magenta), starting at height 1, which extends to the free module LanιH1(𝒻) generated at (0,1) in 0×. The modules H1((𝒻|P)) (in yellow) and H1(2(𝒻|P)) (in green) are interval modules in this simple scenario. Right: the estimator H1(2(𝒻|P)) (in blue), which is also an interval module, approximates the target LanιH1(𝒻) in the vertical interleaving distance within any slab [2ε,δ0]× with δ0<ϱX/2, as per Theorem 6. In turn, the vertical interleaving between the two modules implies a vertical matching between their multigraded Betti numbers within the slab (illustrated by green arrows in the close-up view), as per Corollary 3.8 in the full version [1].

In practice, function values may be corrupted with measurement noise, meanwhile geodesic distances may have to be approximated from the input data. Our framework can account for these imprecisions by suitably adapting the parameters of the estimators and their approximation bounds (see the full version [1, Section 3.3]).

Still for practical purposes, we discuss the computation of our estimators, in particular we provide an algorithm for computing a free presentation of H(2(𝒻|P)), and thus also of H(δ2δ(𝒻|P)) for any fixed δ0, in time that is comparable to that of computing a free presentation of the persistent homology of a single multifiltration. From a free presentation, a variety of invariants, including multigraded Betti numbers, can be derived using existing software. We have implemented our algorithm and used it in our experiments.

Structure of the paper

We provide background material in Section 2. Our problem statement, estimators, and main results are detailed in Section 3. In Section 4 we discuss algorithmic aspects. Finally, in Section 5 we present experimental results that illustrate our theoretical guarantees and we investigate additional properties of our estimators. Further algorithmic details, as well as the proofs of our main results, can be found in the full version [1].

2 Background

We assume some familiarity with basic category theory, algebraic topology, measure theory, and topological data analysis. Let 𝐓𝐨𝐩 denote the category of topological spaces, and 𝐯𝐞𝐜 (resp. 𝐕𝐞𝐜) the category of finite-dimensional (resp. all) vector spaces over a fixed field 𝕜. We also fix an arbitrary degree in homology, denoted by , and we write H() for singular homology groups in degree with coefficients in 𝕜.

Filtrations and persistence modules

We see n as the product of n copies of the real line, equipped with the product order noted . Thus, two points 𝒙,𝒚n satisfy 𝒙𝒚 whenever 𝒙i𝒚i for all 1in. We denote by (,𝒙] the downset {𝒚n𝒚𝒙}, and by [𝒙,+) the upset {𝒚n𝒚𝒙}. An n-parameter filtration is a functor :n𝐓𝐨𝐩 whose constituent maps are inclusions, which means that we have a topological space 𝒙 for all 𝒙n and an inclusion 𝒙,𝒚:𝒙𝒚 for all 𝒙𝒚n. An n-parameter persistence module is a functor M:n𝐕𝐞𝐜, which means that we have a 𝕜-vector space M𝒙 for all 𝒙n and a 𝕜-linear map M𝒙,𝒚:M𝒙M𝒚 for all 𝒙𝒚n, such that M𝒙,𝒙=IdM𝒙 and M𝒙,𝒛=M𝒚,𝒛M𝒙,𝒚 for all 𝒙𝒚𝒛n. A morphism of persistence modules MN is a natural transformation between functors, i.e., a family of linear maps φ𝒙:M𝒙N𝒙 such that N𝒙,𝒚φ𝒙=φ𝒚M𝒙,𝒚 for all 𝒙𝒚n.

Geodesic metric spaces

Throughout the paper, unless otherwise specified, (X,dX) is a compact geodesic metric space. This means that, for all x,yX, there is a shortest continuous path from x to y in X, of length equal to dX(x,y)<. In particular, the space is path-connected. Let P be a finite set of points of X. Given ε>0, we say P is a geodesic ε-sample of X if dH(P,X)<ε, where dH denotes the Hausdorff distance in (X,dX). Define BX(x,r) as the open geodesic ball centered at xX with radius r, given by BX(x,r)={xXdX(x,x)<r}. A ball BX(x,r) is said to be convex if, for any pair of points y and y in BX(x,r), the shortest path in X that connects y to y is unique and included in BX(x,r). Let ϱ(x):=inf{r>0B(x,r) is not convex}, and let ϱX:=inf{ϱ(x)xX}0. This quantity, called the convexity radius of X, plays an important role because intersections of convex sets are convex and therefore contractible, so the Nerve Lemma [13, Corollary 4G.3] applies to unions of balls of radii less than ϱX.

Functional and geometric filtrations

Given a geodesic metric space (X,dX) and a function 𝒻:Xn, the sublevel filtration :n𝐓𝐨𝐩 of 𝒻 is defined by 𝒙:=𝒻1((,𝒙]) for all 𝒙n. The persistent homology of (and, by extension, of 𝒻) is the persistence module H() (also written H(𝒻)) defined by H()𝒙:=H(𝒙) and H()𝒙,𝒚:=H(𝒙,𝒚) for all 𝒙𝒚n.

Given a finite set P of points in X, and a real parameter δ0, we call δ-offset of P the union of open geodesic balls 𝒪δ(P):=pPBX(p,δ). We call δ-Čech Complex of P the nerve of the collection of balls {BX(p,δ)pP}, defined as the abstract simplicial complex 𝒞δ(P):={σPpσBX(p,δ)}. For δ<ϱX, the balls BX(p,δ) and their intersections are either empty or convex, so the Nerve Lemma [13, Corollary 4G.3] ensures that the homology groups H(𝒪δ(P)) and H(𝒞δ(P)) are isomorphic. We call δ-Rips complex of P the abstract simplicial complex δ(P):={σPmaxp,qσdX(p,q)<δ}. Čech and Rips complexes of P are related as follows: 𝒞δ(P)2δ(P)𝒞2δ(P) for all δ0.

Interleavings

Let 𝒗0n be a fixed vector, and let ε0. Given any functors F,G:n𝒞 to some category 𝒞, we say F and G are ε𝐯-interleaved if there are two natural transformations f:FG[ε𝒗] and g:GF[ε𝒗] such that g[ε𝒗]f=φF2ε𝒗 and f[ε𝒗]g=φG2ε𝒗. Here, [ε𝒗] denotes the ε𝒗-shift functor, defined on objects by F[ε𝒗]𝒙:=F𝒙+ε𝒗 and on morphisms by F[ε𝒗]𝒙,𝒚:=F𝒙+ε𝒗,𝒚+ε𝒗 for all 𝒙𝒚n. Meanwhile, φF2ε𝒗:FF[2ε𝒗] and φG2ε𝒗:GG[2ε𝒗] denote the natural morphisms from F and G to their respective 2ε𝒗-shifts, defined by (φF2ε𝒗)𝒙:=F𝒙,𝒙+2ε𝒗 and (φG2ε𝒗)𝒙:=G𝒙,𝒙+2ε𝒗 for all 𝒙n. The 𝐯-interleaving distance is defined as follows:

di𝒗(F,G)=inf{ε0 there exists an ε𝒗-interleaving between F and G}[0,+].

In the following, we consider two specific types of interleavings:

  1. 1.

    Ordinary interleavings: Let 𝒗=𝟏:=(1,,1)T. Then, ε𝟏-interleavings are ordinary ε-interleavings from the TDA literature, and di𝟏 is called the ordinary interleaving distance.

  2. 2.

    Vertical interleavings: Let 𝒗=𝟏0:=(0,1,,1)T. Then, ε𝟏0-interleavings are called vertical ε-interleavings, and di𝟏0 is called the vertical interleaving distance.

 Remark 1.

Vertical interleaving implies ordinary interleaving. Indeed, the vertical interleaving maps can be composed with the horizontal structure morphisms of the modules to form an ordinary interleaving. The amplitude ε of the interleaving does not change in the process. Therefore, vertical interleaving is a stronger condition than ordinary interleaving.

3 Problem statement and main results

Let (X,dX) be a compact geodesic metric space with positive convexity radius ϱX, and let 𝒻:Xn be a continuous function. Here, n is equipped with the -norm. Both X and 𝒻 are unknown. By the Heine–Cantor Theorem, 𝒻 admits a modulus of continuity ω:00. Neither ω nor ϱX need to be known, as they only play a role in our bounds and not in our constructions. The function 𝒻 is not assumed to be pointwise finite-dimensional (i.e., dimH(𝒻)𝒙 finite for every 𝒙n), however our assumptions imply a form of tameness for the persistence module H(𝒻) (see Corollary 4).

Our input is a finite point cloud PX such that 𝒻|P, the restriction of 𝒻 to P, is known, as well as the pairwise geodesic distances dX(p,q) between the points p,qP. The problem we address is that of estimating H(𝒻), the persistent homology of the sublevel filtration of 𝒻, from our input. For this we assume that P is a geodesic ε-sample of X, for some possibly unknown ε that we assume to be small enough compared to the convexity radius ϱX.

To build our estimator, we first construct the function-Rips multifiltration (𝒻|P):={δ(𝒙P)}δ0,𝒙n from the restriction of 𝒻 to P. Then, following [10], our estimator is a smoothed version of H((𝒻|P)), denoted by H(2(𝒻|P)) and defined formally as the image of the morphism of persistence modules induced in homology by the inclusion of the filtration (𝒻|P) into its horizontal rescaling by a factor of 2, that is:

H(2(𝒻|P)):=ImH((𝒻|P)2(𝒻|P)),

where 2(𝒻|P):={2δ(𝒙P)}δ0,𝒙n.

 Remark 2.

It is known that a single Rips complex of a finite sampling can recover the homological type of a sufficiently regular underlying continuous space [14, 16]. Yet, in full generality it takes a pair of Rips complexes with parameters within a factor of at least 2 of each other to do so [7]. Similarly, it was recently shown that H((𝒻|P)) itself can approximate H(𝒻) provided X has curvature bounded above locally [22]. Yet, it is unknown whether the same holds in our more general setting, which is why we use H(2(𝒻|P)).

In the course of our analysis of the behavior of H(2(𝒻|P)), we will consider intermediate constructions, namely the persistent homologies of:

  • the function-offset filtration 𝒪(𝒻|P):={𝒪δ(𝒙P)}δ0,𝒙n;

  • the function-Čech filtration 𝒞(𝒻|P):={𝒞δ(𝒙P)}δ0,𝒙n.

These can also serve as alternative estimators when they can be built, for instance – in the case of 𝒞(𝒻|P) – when we can test whether finitely many open geodesic balls intersect.

We use our estimators in two types of scenarios: (1) when we have an estimate of the value ε for which P is an ε-sample of X, and (2) when we do not have such an estimate.

3.1 Estimating 𝑯(𝓯) with known 𝜺

Suppose we know ε or some reasonable estimate. Then we can approximate our target H(𝒻) by restricting our estimators to a vertical hyperplane {δ}×n0×n for a suitable choice of parameter δ. We denote these restrictions respectively by H(𝒪δ(𝒻|P)), H(𝒞δ(𝒻|P)) and H(δ2δ(𝒻|P)).

Theorem 3.

Let X be a compact geodesic space, let 𝒻:Xn be an ω-continuous function for some modulus of continuity ω:00, and let P be a finite geodesic ε-sample of X. Then:

  1. (i)

    for δε, the modules H(𝒻) and H(𝒪δ(𝒻|P)) are ordinarily ω(δ)-interleaved;

  2. (ii)

    for δ[ε,ϱX), the modules H(𝒻) and H(𝒞δ(𝒻|P)) are ordinarily ω(δ)-interleaved;

  3. (iii)

    for δ[2ε,ϱX2), modules H(𝒻) and H(δ2δ(𝒻|P)) are ordinarily ω(2δ)-interleaved.

The proof of this result is given in the full version [1, Section 4]. The conclusion still holds under noisy input function values or geodesic distances, as detailed in [1, Section 3.3].

Theorem 3 can be read in two different ways. First, when the modulus of continuity ω is known, we obtain explicit bounds on the interleaving distance between our estimators and the target H(𝒻). Second, when we only know that 𝒻 is continuous, the Heine–Cantor Theorem implies that 𝒻 admits some modulus of continuity ω, and even without knowning that ω, we are guaranteed by Theorem 3 that our estimators converge to H(𝒻) as ε goes to zero under suitable choices of parameter δ.

When ε is known exactly, the best choice for δ is the lower bound of its admissible interval, i.e., δ=ε in Items i and ii and δ=2ε in Item iii. When ε is only known approximately, the admissible interval provides some leeway for the choice of δ.

An immediate consequence of Theorem 3 is that di𝟏-stable invariants computed on our estimators approximate the corresponding invariants defined on the target H(𝒻). For instance, the approximation guarantee obtained for the multigraded Betti numbers of H(δ2δ(𝒻|P)) is given in the full version [1, Corollary 3.3].

Another consequence of Theorem 3 (i) is that, under our assumptions, the persistence module H(𝒻) satisfies the following form of tameness, as proven in the full version [1].

Corollary 4.

Let X,ω,𝒻 be as in Theorem 3. Then the module H(𝒻) is tame in the sense that the rank rk(H(𝒻)𝐱,𝐲) is finite for all 𝐱<𝐲n with 𝐱i<𝐲i for each i{1,,n}.

Suppose now the points of P are i.i.d. samples drawn from some unknown probability measure μ supported on X. In this setting, standard statistical techniques can be used to estimate ε with high probability, then Theorem 3 can be applied to get statistical estimates of H(𝒻) or of any di𝟏-stable invariant thereof. We summarize our results in Theorem 5. The relevant statistical background and definitions are provided in the full version [1, Section 2], together with the analysis of the statistical estimators [1, Section 6].

Theorem 5.

Let X, ω and 𝒻 be as in Theorem 3. Assume that the convexity radius satisfies ϱX>0, that the modulus of continuity ω has a controlled vanishing rate δ=O(ω(δ)) as δ0, and that the points p1,,pk of P are i.i.d. samples drawn from some unknown (a,b)-standard probability measure μ whose support is the entire space X.

  1. (i)

    Suppose a,b are known. Let δk:=4(2logkak)1/b. Then, the sequences of approximations (H(𝒪δk(𝒻|P)))k, (H(𝒞δk(𝒻|P)))k and (H(δk2δk(𝒻|P)))k of H(𝒻) are ω-quasi-minimax consistent estimators of H(𝒻) in the following sense: their expected interleaving distances to H(𝒻) are at most a constant times ω(8(2logkak)1/b); meanwhile, in the worst case over n,X,f as above, for any other estimator of H(𝒻), the supremum over all (a,b)-standard measures μ of the expected interleaving distance between the estimator and its target H(𝒻) is at least a constant times ω(12(1ak)1/b).

  2. (ii)

    Suppose a,b are unknown, and assume further that X is a compact smooth manifold and that the measure μ decomposes as μ=μ1+μ2, where μ2(X)>0 and μ2 is absolutely continuous with respect to the uniform measure on X, with a positive density on X. Then, there is an explicit sequence of random positive numbers (δ^k)k such that the induced plug-in estimators (H(𝒪δ^k(𝒻|P)))k, (H(𝒞δ^k(𝒻|P)))k, and (H(δ^k2δ^k(𝒻|P)))k are ω-quasi-minimax consistent estimators of H(𝒻).

3.2 Estimating 𝑯(𝓯) with unknown 𝜺

When ε is unknown and cannot be effectively estimated – for instance when the assumptions in Theorem 5 are not satisfied, we adopt the traditional approach in persistence theory which is to not fix the scale parameter δ but rather to consider it as an extra filtration parameter. This means using the full (n+1)-parameter modules H(𝒪(𝒻|P)), H(𝒞(𝒻|P)) and H(2(𝒻|P)) as estimators. In order to state approximation results, we extend our target H(𝒻) to a persistence module over 0×n by taking its left Kan extension LanιH(𝒻) along the poset embedding ι:n0×n given by 𝒙(0,𝒙) for all 𝒙n. Since the category n is small and the category 𝐕𝐞𝐜 is cocomplete, LanιH(𝒻) is well-defined as a functor 0×n𝐕𝐞𝐜, and given pointwise by the colimit formula [19]:

(δ,𝒙)0×n,LanιH(𝒻)(δ,𝒙)=lim𝒚nι(𝒚)(δ,𝒙)H(𝒻)𝒚H(𝒻)𝒙. (1)

Moreover, LanιH(𝒻) has structural morphisms that are identity maps horizontally (i.e., along the first coordinate axis) and the structural morphisms of H(𝒻) vertically (i.e., along any direction orthogonal to the first coordinate axis), as illustrated in Figure 1.

Theorem 6.

Let X, ω, 𝒻, P and ε as in Theorem 3. Then:

  1. (i)

    for δ0ε, within the slab [ε,δ0]×n, the restricted modules LanιH(𝒻)|[ε,δ0]×n and H(𝒪(𝒻|P))|[ε,δ0]×n are vertically ω(δ0)-interleaved;

  2. (ii)

    for δ0[ε,ϱX), within the slab [ε,δ0]×n, the restricted modules LanιH(𝒻)|[ε,δ0]×n and H(𝒞(𝒻|P))|[ε,δ0]×n are vertically ω(δ0)-interleaved;

  3. (iii)

    for δ0[2ε,ϱX/2), within the slab [2ε,δ0]×n, the restricted modules
    LanιH(𝒻)|[2ε,δ0]×n and H(2(𝒻|P))|[2ε,δ0]×n are vertically ω(2δ0)-interleaved.

The proof is given in the full version [1, Section 5]. Similar to Theorem 3, the conclusion still holds under noisy input function values or geodesic distances – see [1, Section 3.3].

This approximation result encapsulates the previous one in the sense that restricting the estimators to the vertical hyperplane {δ}×n for δ=δ0 recovers Theorem 3. However, the result says something deeper, namely: that the interleavings in the vertical hyperplanes {δ}×n, for δ ranging over [ε,δ0] (resp. [2ε,δ0]), commute with the horizontal structural morphisms of the modules, so that they all together form a vertical interleaving in the slab [ε,δ0]×n (resp. [2ε,δ0]×n). Intuitively, this means that prominent features in H(𝒻) are not just present in H(δ2δ(𝒻|P)) at individual scales δ in the range [2ε,δ0], but that they persist across large ranges of scales in H(2(𝒻|P)). In particular, they are not ephemeral in 0×n and can be captured by stable invariants.

In terms of approximation accuracy, the result says that, the more one looks to the left (i.e., toward small positive values of δ0) in the parameter space 0×n, the more precisely the estimators approximate the target, until some point where δ0 becomes too small and the approximation breaks down. On the opposite side, the more one looks to the right (i.e., toward large values of δ0), the more the estimators drift away from the target, until again the approximation eventually breaks down if the estimator is H(𝒞(𝒻|P)) or H(2(𝒻|P)). See Figure 2 for an illustration, and Figure 3 for a comparison of Theorem 6 with Theorem 3.

Refer to caption
(a)
Refer to caption
(b)
Refer to caption
(c)
Refer to caption
(d)
Figure 3: Contrasting Theorem 6 with Theorem 3. (a): The input is P=P1P2, where P1 and P2 are two point clouds regularly sampled from two disjoint squares X1,X2 in the plane. Distances within each square are shortest-path distances along the boundary, while distances between squares are infinite. Here 𝒻 is the vertical height function, and its persistent homology in degree 1 is considered. (b): The estimator H1(2(𝒻|P)) is an interval-decomposable module whose summands have half-open rectangle supports, respectively R1 (in yellow) and R2 (in red). The scalings of X1,X2, and their respective sampling densities, have been adjusted so that R1R2= while R1R2 is a single rectangle R shown in subfigure (d). In turn, the interval module with support R can be realized as the degree 1 persistent homology of another sample P from a square in the plane, shown in subfigure (c). Theorem 6 guarantees that H1(2(𝒻|P)) is interleaved with LanιH1(𝒻|X1) over R1 and with LanιH1(𝒻|X2) over R2, leading to the two summands in (b). By contrast, Theorem 3 only guarantees interleavings within the vertical slices, which is not sufficient to discriminate the module with two summands in (b) from the module with a single summand in (d).

Theorem 6, like its counterpart Theorem 3, implies that provably di𝟏-stable invariants computed from our estimators approximate the corresponding invariants defined on their target, which this time is LanιH(𝒻). And since the interleaving is now vertical – hence stronger than an ordinary interleaving according to Remark 1, we can get more precise statements for some invariants. For instance, the induced bottleneck matching on multigraded Betti numbers is vertical, as proven in the full version [1] and illustrated in Figure 2.

4 Estimators Computation

Our main estimators, H(δ2δ(𝒻|P)) and H(2(𝒻|P)), derive from the function Rips filtration (𝒻|P), whose computation is standard – see [1, Section 7] for details. Here we focus on the computation of invariants once (𝒻|P) has been built. The difficulty is that our estimators do not come from a single filtration, but from the inclusion of two nested filtrations sitting inside (𝒻|P). For some invariants, such as the Hilbert function or rank invariant, existing algorithms adapt straightforwardly [5]. However, for minimal free presentations – from which many invariants, including multigraded Betti numbers, derive – there is no efficient existing algorithm, except in special situations such as when homology in degree 0 is considered, see the full version [1, Section 7.2.3] for details.

To address this, we provide an algorithm for the general problem of computing a free presentation of the image of any morphism of finitely presented persistence modules τ:MN, and then we apply it to the special case of H(2(𝒻|P)). Here we merely outline the mathematical construction of a free presentation of Im(τ), which explains our approach. The algorithmic details and pseudocode are provided in [1, Section 7]. Note that a simpler variant to obtain a free presentation of the cokernel of τ appeared in [12, Proposition 4.14].

Let τ:MN be a morphism between finitely presented persistence modules, with respective free presentations p1:P1P0 and q1:Q1Q0. Since P0 is projective, we can lift τ to a map γ:P0Q0 so that the following diagram commutes:

(2)

From this diagram, we can derive a free presentation of Im(τ) as follows. Consider the pullback P1 of the subdiagram P0𝛾Q0q1Q1, i.e., the kernel of the morphism P0Q1γq1Q0, where (γq1)(u,v):=γ(u)q1(v) for any (u,v)P0Q1. Let π0:P1P0 and π1:P1Q1 denote the canonical projections from P1P0Q1 to P0 and Q1, respectively. Next, let P2 be the free cover of P1, yielding the surjection β:P2P1. We illustrate these morphisms in the following commutative diagram, where P1,P0,Q0,Q1 form a pullback square:

(3)

This diagram yields a free presentation of Im(τ) as follows (proof is in the full version [1]):

Proposition 7.

The sequence P2π0βP0𝜂Im(τ)0 is exact, where η comes from the factorization of τp0 through its image Im(τ). Consequently, the morphism π0β:P2P0 is a free presentation of Im(τ), and in fact a finite free presentation.

5 Experiments

In this section, we illustrate our approximation and convergence results through practical experiments on both synthetic and real-world datasets.

(a)
(b)
(c)
(d)
Figure 4: (a): A sample P from a space X=X1X2 composed of two circles equipped with geodesic distances, each uniformly sampled with distinct radii and concentration levels. The target function 𝒻:X is the height function on the two circles. The barcode of the target H1(𝒻) consists of two infinite bars, each originating from a level marked as a dashed line. (b): Bottleneck distance between the barcode of the estimator H1(δ2δ(𝒻|P)) and that of the target H1(𝒻) as a function of δ. Here, ε1 (resp. ε2) is the sampling error of X1 (resp. X2), and ϱX1 (resp. ϱX2) the convexity radius of X1 (resp. X2). All infinite bars are truncated at 10 to ensure the bottleneck distances are finite. (c): Visualization of the estimator H1(2(𝒻|P)) computed using MMA. (d): Visualization of the estimator H1(𝒞(𝒻|P)) computed using MMA. Each colored region represents a persistent topological feature. Dashed lines indicate birth times of bars in the barcode of H1(𝒻).

5.1 Toy examples

We validate the claims in Theorems 3 and 6 through a simple example consisting of two circles with distinct radii and concentration levels, as shown in Figure 4 (a). In Figure 4 (b) we analyze the error between the estimator H1(δ2δ(𝒻|P)) and the target H1(𝒻) as a function of the scale parameter δ. As guaranteed by Theorem 3, for δ within the range [2ε,ϱX/2) the error between the estimator and the target is small, controlled by δ. The approximation remains good even for δ going beyond that range, which is not explained by the theory but occurs here because the space and function are very regular in this example.

In Figure 4 (c) we show a visualization of our estimator H1(2(𝒻|P)) using MMA [17]. As expected from Theorem 6, we observe two topological features in our estimator, corresponding to the two circles in the dataset. The values of δ at which these features appear then disappear are aligned with the endpoints of the interval of values of δ for which H1(δ2δ(𝒻|P)) is a good approximation of H1(𝒻) in Figure 4 (b).

For comparison, in Figure 4 (d) we show a visualization of the estimator H1(𝒞(𝒻|P)) using MMA, for which we use the Euclidean distance instead of the geodesic distance in order to enable the construction of the function–Čech filtration. Again, we see two topological features corresponding to the two circles, and H1(𝒞δ(𝒻|P)) is a good approximation of H1(𝒻) for δ within a fairly large range.

We now add noise to the dataset sampled from the two circles, as shown in Figure 5 (a). As proven in the full version [1, Section 3.3], the trend is the same. While the theory requires a factor α>2 in H1(α(𝒻|P)) to handle metric noise, Figure 5 shows that, in this example, the estimator H1(2(𝒻|P)) performs well even with α=2.

(a)
(b)
(c)
(d)
Figure 5: A noisy analog of Figure 4.

5.2 Real dataset of immune cells (involving Lipschitz functions)

In this section, we consider the digitized immunohistochemistry dataset from [24]. This dataset is comprised of manually annotated cell locations from three cell types, namely cytotoxic T lymphocytes, regulatory T lymphocytes, and macrophages, each characterized by the expression of one of the proteins CD8, FoxP3, and CD68, respectively – see Figure 6.

Figure 6: Point cloud dataset, with colors indicating the protein labels CD8, FoxP3, and CD68.

The index i{1,2,3} refers to the protein in the ordered set {CD8,FoxP3,CD68}, and 𝒻i:[0,1]2 denotes the negative density estimate associated with that protein. Since the functions 𝒻i are unknown, we estimate the density of each point cloud using kernel density estimation, which yields approximations – also called 𝒻1,𝒻2,𝒻3 for simplicity – that are Lipschitz continuous by construction. We then discretize the domain [0,1]2 on a grid (using a resolution of 1 000×1 000 for Section 5.2.1 and of 500×500 for Section 5.2.2) and compute the persistence module of the cubical complex induced by the estimated function on this grid, which serves as a proxy for the ground-truth target.

In the following experiments, in order to reach smaller Hausdorff distances between the sample Xk and the domain X=[0,1]2, we first draw 10,000 points uniformly from X, and then select Xk using k-means farthest point sampling applied to this set. In practice, the choice of the rate δk prescribed in Theorem 5 can be improved significantly when the sample Xk is well-behaved. We propose heuristics to estimate good rates in non-asymptotic regimes.

(a) Errors for H1(𝒞δ(𝒻i|X10 000)).
(b) Errors for H1(𝒞δ(𝒻i|X50 000)).
Figure 7: Interleaving distance between our estimators and the target H1(𝒻) w.r.t. the scale δ.
Refer to caption
(a) Hilbert signed bars of H1(𝒞(𝒻1|Xk)).
(b) Pointwise dimension of H1(𝒞δ(Xk)) w.r.t δ.
Figure 8: Heuristic to determine a good multiplicative constant for the rate δk, where k=50 000.

5.2.1 Estimating a single function 𝓯𝒊

We empirically validate our theoretical results by examining the estimators H1(𝒞δ(𝒻i|Xk)) with i{1,2,3} built from the three associated point clouds. We first focus on the convergence rate of the estimators as the sample size k increases, with respect to the choice of scale parameter δk. From Theorem 5, since the sampling measure is known – namely the uniform measure on [0,1]2, which is (a,b)-standard with parameters a=π4 and b=2 – we can derive an asymptotic theoretical rate δk=4(8log(k)πk)12. However, as shown in Figure 7, this choice of δk is very conservative, and consequently the estimators H1(𝒞δk(𝒻i|Xk)) do not perform better than the zero module. This is explained by the fact that δk is designed for worst-case sampling measures and asymptotic regimes. As shown in Figure 7, the estimators H1(𝒞δk(𝒻i|Xk)) achieve good performance only when δk is smaller than 0.02, which would require sample sizes k larger than 106.

Another option is to consider the estimated rate δ^k mentioned in Theorem 5, defined as δ^k:=dH(Xsk,Xk) where XskXk consists of the first sk sample points of Xk. In Figure 7, we observe that this rate is far less conservative than δk and already exhibits its asymptotic behavior when k is larger than 50 000, achieving good performance. In this example though, the rate δ^k has some limitations:

  • the bad behavior of the corresponding estimators on small sample sizes (k104);

  • the dependence of δ^k on a parameter β, which needs to be tuned;

  • the fact that the knowledge of the ambient dimension and the probability measure from which the points are sampled are not leveraged.

Here is a heuristic we apply to select a relevant rate δk. Since the dimension of the domain is known, we set δk to be a fixed fraction of the theoretical rate δk. This choice is motivated in the full version [1] and ensures that, up to a multiplicative constant, the rate (1/k)1/d cannot be improved for any (possibly deterministic) k-sample of a d-dimensional space. To determine a good multiplicative constant, we notice from Figure 7 that, when δ[0,dH(Xk,X)), the error of the estimators H1(𝒞δ(𝒻i|Xk)) soars, due to the fact that 𝒞δ(Xk) and X do not have the same topology. According to Theorem 3, the optimal scale δ is then given as the smallest value lying above that interval, that is: dH(Xk,X). Our rate δk is an estimate of this value. In order to compute it, we look at the topological changes of 𝒞δ(Xk) as δ increases. Since the measure is uniform and thus does not exhibit pathological local behaviors, the artifacts in the topological type of 𝒞δ(Xk) should all vanish roughly at the same scale, and slightly before dH(Xk,X). This phenomenon, suggested by the shape of the curves in Figure 7, is further illustrated in Figure 8(a), where we consider the Hilbert function signed barcode [18, 21] of H1(𝒞(𝒻1|Xk)): after an initial transition phase (δ<0.005) during which a concentration of positive generators appears, followed then by a concentration of negative generators, the structure of the module stabilizes as these positive and negative generators cancel each other out. This is highlighted when summing the signed generators within the half-plane (,δ]×, or equivalently, when computing the pointwise dimension of H1(𝒞δ(X50 000)), for δ ranging from 0 to +, as shown in Figure 8(b). Since the convexity radius ϱX is infinite in this case, we have H1(𝒞δ(Xk))H1(𝒪δ(Xk))H1(X) for all δ>dH(Xk,X), and so our heuristic to determine a suitable rate (δk)k from a sample Xk0 for some sufficiently large k0 is:

  1. 1.

    Compute the pointwise dimension of H1(𝒞δ(Xk0)) as in Figure 8(b) for a range of δ;

  2. 2.

    Identify the transition phase of dimH1(𝒞δ(Xk0));

  3. 3.

    Choose a scale δ past this phase, so that δ[δ,)dimH1(𝒞δ(Xk0)) is constant;

  4. 4.

    Define the rate (δk)k for k as δk:=δδk0δk.

In Figure 9, we observe that both rates δk and δ^k achieve good performance asymptotically, with a convergence rate that is at least of the order of (log(k)k)1/2. However, the asymptotic regime is reached earlier with δk than with δ^k – while, as we said, it is not reached with δk.

(a) Convergence rate with δk=115δk.
(b) Convergence rate with δ^k.
Figure 9: Interleaving distance between the estimators and the target w.r.t. the sample size k.

5.2.2 Estimating the combined functions (𝓯𝟏,𝓯𝟐,𝓯𝟑)

We now study the function 𝒻=(𝒻1,𝒻2,𝒻3):[0,1]23 and approximate the corresponding 3-parameter persistence module H0(𝒻). For this we employ the estimator H0(δk2δk(𝒻|Xk))H0(2δk(𝒻|Xk)), where, for each sample size k, the scale parameter is given by the same δk as in Section 5.2.1. Since computing the interleaving distance in this context is NP-hard [3], we use the matching distance [15] as a proxy, estimated via Monte Carlo with 1,000 random lines in 3. The results are shown in Figure 10. Notably, the observed convergence rate matches that of the previous experiment in Figure 9(a), which suggests that the empirical convergence rate is independent of the number of parameters.

Refer to caption
Figure 10: Estimated matching distance between the estimator H0(δk2δk(𝒻|Xk)) and the ground truth H0(𝒻) as a function of the sample size k under random sampling.
Figure 11: Samplings of a Brownian motion on [0,1] with, respectively, 50, 200, and 106 points.
Figure 12: Log–log plot of the convergence of H0(𝒞εk(𝒻|Xk)) toward H0(𝒻) for a Brownian motion 𝒻. The x-axis represents the sampling error εk=dH(Xk,[0,1]), and the y-axis represents the interleaving distance between H0(𝒞εk(𝒻|Xk)) and H0(𝒻).

5.3 Brownian motion in 1-d (involving a Hölder function)

The Brownian motion is not Lipschitz continuous but almost surely almost everywhere ω-continuous for any modulus of continuity ω of the form ω:xcx12ε, with ε>0 and c>0 large enough [20, Corollaries 1.20 and 5.3]. Let 𝒻:[0,1] be a realization of a standard Brownian motion, which can be approximated by a Rademacher random walk.

For each k, we build a k-sample Xk in [0,1] according to the uniform distribution, as shown in Figure 11 for several values of k. Then, since our goal here is to illustrate Theorem 3, we assume we have access to the sampling error εk:=dH(Xk,[0,1]) and so we use the estimator H0(𝒞εk(𝒻|Xk)) to approximate the target H0(𝒻) for various sample sizes k. The corresponding results are shown in Figure 12. A regression analysis of the experimental data indicates that di𝟏(H0(𝒞εk(𝒻|Xk)),H0(𝒻))100.16εk0.47, which aligns closely with the theoretical prediction from Theorem 3, stating that the interleaving distance between H0(𝒞εk(𝒻|Xk)) and H0(𝒻) should be at most ω(εk)εk1/2.

5.4 Timings

In the following table we report the running times for some of our experiments. Only the first one involves our algorithm for computing a presentation of H(2(𝒻|P)). For all computations we used an Intel® Core i9-12900K CPU (5.2 GHz max) equipped with 125 GB of RAM.

Experiment Estimator #Params #Points Filt. size Filt. time Invariant time
2 circles H1(2(𝒻|P)) 2 220 13,110 11.8 ms 6.5 ms
(presentation)
Immune cells (single 𝒻i) H1(𝒞(𝒻i|Xk)) 2 6172 24,370 864 ms 50.3 ms
(Hilbert measure)
Brownian
motion
H0(𝒞εk(𝒻|Xk)) 1 10,000 37,359 1.21 s 5.4 ms
(barcode)

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