Direct Sampling of Confined Polygons in Linear Time

Clayton Shonkwiler and Kandin Theis

Colorado State University

shonkwiler.org

/jmm25

this talk!

Results on Curves and Surfaces Inspired by Experiments

January 10, 2025

Key Point

Symplectic geometry and some baby combinatorics give a surprisingly fast algorithm for sampling random polygons in tight confinement.

Random Knot Model: Equilateral Polygons

\(\operatorname{Pol}(n)\) is the space of equilateral \(n\)-gons in \(\mathbb{R}^3\); it consists of (congruence classes of) piecewise-linear maps \(S^1 \to \mathbb{R}^3\) with \(n\) unit-length segments.

Equilateral Polygons

\(\operatorname{Pol}(n)\) can be constructed as a symplectic reduction (see Kapovich–Millson and Hausmann–Knutson):

\operatorname{Pol}(n)=(S^2)^n/\!/_{\vec{0}}SO(3)

Continuous symmetry \(\Rightarrow\) conserved quantity

\(n-3\) commuting symmetries

Rotations around \(n-3\) chords \(d_i\) by \(n-3\) angles \(\theta_i\) commute.

More precisely, \(\operatorname{Pol}(n)\) is (almost) toric, and the \(d_i\) and \(\theta_i\) are action-angle coordinates.

Chord distributions

Theorem [with Cantarella]

The joint distribution of \(d_1,\ldots , d_{n-3}\) and \(\theta_1, \ldots , \theta_{n-3}\) are all uniform on their domains.

Therefore, sampling \(\operatorname{Pol}(n)\) is equivalent to sampling random points in the convex polytope of \(d_i\)’s and random angles \(\theta_i\).

A polytope

The \((n-3)\)-dimensional moment polytope \(\mathcal{P}_n \subset \mathbb{R}^{n-3}\) is defined by the triangle inequalities

0 \leq d_i \leq 2
1 \leq d_i + d_{i-1}
|d_i - d_{i-1}| \leq 1
0 \leq d_{n-3} \leq 2

Confined Polygons

If we want to sample polygons in rooted, spherical confinement of radius \(R\), then we simply add the constraints \(d_i \leq R\) for all \(i\).

Sampling

Algorithm [w/ Cantarella]

A uniformly ergodic Markov chain for sampling random equilateral \(n\)-gons in rooted spherical confinement (implemented in plCurve).

Algorithm [Diao–Ernst–Montemayor–Ziegler]

An algorithm for directly sampling successive marginals of Lebesgue measure on \(\mathcal{P}_n(R)\).

“The data shows that the runtime grows slower than an exponential function, but faster than a power function.”

Tightest Confinement

When \(R=1\), the inequalities reduce to

\(0\leq d_i \leq 1 \qquad 1 \leq d_i + d_{i+1}\)

Define \(\phi: (d_1, d_2, \dots ) \mapsto (d_1, 1-d_2, d_3, 1-d_4, \dots )\), which sends \(\mathcal{P}_n(1)\) to

which define a polytope \(\mathcal{P}_n(1) \subset [0,1]^{n-3}\).

\(\mathcal{O_{n-3}} := \{(s_1, \dots , s_{n-3}) \in [0,1]^{n-3} : s_1 \geq s_2 \leq s_3 \geq s_4 \leq \dots\}\),

The order polytope of the zig-zag (fence) poset.

Each possible total ordering \(s_{\sigma(i_1)} \leq \dots \leq s_{\sigma(i_{n-3})}\) corresponds to a linear extension of the zig-zag poset or, equivalently, an alternating permutation.

Each alternating permutation \(\sigma\) determines an orthoscheme \(\Delta_\sigma\) in a unimodular triangulation of \(\mathcal{O}_{n-3}\).

\(\Leftrightarrow d_1 \geq 1-d_2 \leq d_3 \geq 1-d_3 \leq \dots\)

Tightest Confinement

When \(R=1\), the inequalities reduce to

\(0\leq d_i \leq 1 \qquad 1 \leq d_i + d_{i+1}\)

which define a polytope \(\mathcal{P}_n(1) \subset [0,1]^{n-3}\).

Each alternating permutation determines an orthoscheme \(\Delta_\sigma\) in a triangulation of \(\mathcal{O}_{n-3}\).

Alternating Permutations and Euler Numbers

\((1)\)

\((21)\)

\((213),(312)\)

\((2143),(3142),(3241),(4132),(4231)\)

\((21435),(21534),(31425),(31524),\dots\)

\((214365),(215364),(216354),\dots\)

\(n\)

\(E_n\)

\(1\)

\(1\)

\(2\)

\(1\)

\(2\)

\(3\)

\(4\)

\(5\)

\(5\)

\(16\)

\(6\)

\(61\)

The number of alternating permutations on \(n\) letters is denoted \(E_n\) and called an Euler number.

\(\text{Vol}(\mathcal{P}_n(1)) = \frac{E_{n-3}}{(n-3)!} \sim 2 \left(\frac{2}{\pi}\right)^{n-2}\)

Rejection sampling won’t work!

Marchal’s Magic Algorithm

CPOP

Theorem [w/ Theis]

CPOP generates random polygons in \(\operatorname{Pol}(n;1)\) with average time complexity \(\Theta(n)\).

CPOP

Expected Total Curvature

For unconfined polygons:

Theorem [Grosberg]

\(\mathbb{E}_{\operatorname{Pol}(n)}(\kappa) = \frac{\pi}{2}n + \frac{3\pi}{8} + O\left(\frac{1}{n}\right)\)

Conjecture [w/ Theis]

\(\mathbb{E}_{\operatorname{Pol}(n;1)}(\kappa) = 2.14625 n - 0.46742 + o(1).\)

Theorem [w/ Theis]

This is the asymptotic limit, and we have an explicit (terrible!) formula.

Questions

  1. What about other \(R\)?
  2. How does expected total curvature relate to \(R\)? (cf. Diao–Ernst–Rawdon–Ziegler)
  3. What can we learn about knotting phenomena of tightly confined random polygons?

Thank you!

Funding: NSF

References

Direct sampling of confined polygons in linear time

Clayton Shonkwiler and Kandin Theis

Preprint, 2025. arXiv: 2501.04885 [math.GT]

The symplectic geometry of closed equilateral random walks in 3-space

Jason Cantarella and Clayton Shonkwiler

Annals of Applied Probability 26 (2016), no. 1, 549–596

Direct Sampling of Confined Polygons in Linear Time

By Clayton Shonkwiler

Direct Sampling of Confined Polygons in Linear Time

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